diff --git a/CHANGELOG.md b/CHANGELOG.md
index a518560fde128d7795a404d29834bbf86bfa018a..0f538b93002a18d9778a6bc76a906fa17211226f 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -7,6 +7,32 @@ Note that since we don't clearly distinguish between a public and private interf
## [Unreleased]
- Enable odd dash count (1,3,5)
+- Add a uniform color theme for NtC tube that still paints residue and segment dividers in a different color
+- Support points & lines in glTF export
+- Fix bond assignments `struct_conn` records referencing waters
+- Add StructConn extension providing functions for inspecting struct_conns
+- Fix `PluginState.setSnapshot` triggering unnecessary state updates
+- Fix an edge case in the `mol-state`'s `State` when trying to apply a transform to an existing Null object
+- Add `SbNcbrPartialCharges` extension for coloring and labeling atoms and residues by partial atomic charges
+ - uses custom mmcif categories `_sb_ncbr_partial_atomic_charges_meta` and `_sb_ncbr_partial_atomic_charges` (more info in [README.md](./src/extensions/sb-ncbr/README.md))
+- Parse HEADER record when reading PDB file
+- Support `ignoreHydrogens` in interactions representation
+- Add hydroxyproline (HYP) commonly present in collagen molecules to the list of amino acids
+
+## [v3.34.0] - 2023-04-16
+
+- Avoid `renderMarkingDepth` for fully transparent renderables
+- Remove `camera.far` doubling workaround
+- Add `ModifiersKeys.areNone` helper function
+- Do not render NtC tube segments unless all required atoms are present in the structure
+- Fix rendering issues caused by VAO reuse
+- Add "Zoom All", "Orient Axes", "Reset Axes" buttons to the "Reset Camera" button
+- Improve trackball move-state handling when key bindings use modifiers
+- Fix rendering with very small viewport and SSAO enabled
+- Fix `.getAllLoci` for structure representations with `structure.child`
+- Fix `readAllLinesAsync` refering to dom length property
+- Make mol-util/file-info node compatible
+- Add `eachLocation` to representation/visual interface
## [v3.33.0] - 2023-04-02
diff --git a/docs/extensions/struct-conn.md b/docs/extensions/struct-conn.md
new file mode 100644
index 0000000000000000000000000000000000000000..c83d2af43e8df65e3ec2241d2ce1c744d7f4c70a
--- /dev/null
+++ b/docs/extensions/struct-conn.md
@@ -0,0 +1,118 @@
+# wwPDB StructConn extension
+
+The STRUCT_CONN category in the mmCIF file format contains details about the connections between portions of the structure. These can be hydrogen bonds, salt bridges, disulfide bridges and so on (see more at <https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v40.dic/Categories/struct_conn.html>).
+
+**wwPDB StructConn extension** in Mol* provides functionality to retrieve and visualize these connections.
+
+The extension exposes three functions, located in `src/extensions/wwpdb/struct-conn/index.ts`.
+
+- `getStructConns` - to retrieve struct_conn records from a loaded structure
+- `inspectStructConn` - to visualize a struct_conn
+- `clearStructConnInspections` - to remove visulizations created by `inspectStructConn`
+
+
+## Example 1
+
+The following example is a minimal HTML using this functionality:
+
+```html
+<!DOCTYPE html>
+<html lang="en">
+ <head>
+ <meta charset="utf-8" />
+ <link rel="icon" href="./favicon.ico" type="image/x-icon">
+ <title>Mol* Viewer</title>
+ <link rel="stylesheet" type="text/css" href="molstar.css" />
+ </head>
+ <body style="margin: 0px;">
+ <div style="position: absolute; width: 100%; height: 10%; padding-block: 10px;">
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, '5elb', 'disulf1');">disulf1</button>
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, '5elb', 'disulf2');">disulf2</button>
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, '5elb', 'covale1');">covale1</button>
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, '5elb', 'covale2');">covale2</button>
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, '5elb', 'covale3');">covale3</button>
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, '5elb', 'covale4');">covale4</button>
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, '5elb', 'metalc1');">metalc1</button>
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, '5elb', 'metalc2');">metalc2</button>
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, '5elb', 'metalc3');">metalc3</button>
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, '5elb', 'metalc4');">metalc4</button>
+ <button onclick="molstar.PluginExtensions.wwPDBStructConn.clearStructConnInspections(molstarViewer.plugin, '5elb');">CLEAR</button>
+ </div>
+ <div id="app" style="position: absolute; top: 10%; width: 100%; height: 90%;"></div>
+ <script type="text/javascript" src="./molstar.js"></script>
+ <script type="text/javascript">
+ var molstarViewer;
+ molstar.Viewer.create('app', { layoutIsExpanded: false }).then(viewer => {
+ molstarViewer = viewer;
+ viewer.loadPdb('5elb');
+ });
+ </script>
+ </body>
+</html>
+```
+
+The PDB ID (`'5elb'`) can be replaced be `undefined`, in which case the functions will apply to the first loaded structure.
+
+
+## Example 2
+
+This is a more elaborated example, which automatically loads `5elb` (or any PDB entry given in the URL after `?pdb=`), retrieves the list of struct_conns, and creates a button for each struct_conn.
+
+Be aware that some of the struct_conns may be present in the deposited model but not in the preferred assembly (default view). The presented example will raise a dialog window with error message in such cases, e.g. `disulf6` in entry `5elb`.
+
+```html
+<!DOCTYPE html>
+<html lang="en">
+ <head>
+ <meta charset="utf-8" />
+ <link rel="icon" href="./favicon.ico" type="image/x-icon">
+ <title>Mol* Viewer - StructConn Extension Demo</title>
+ <link rel="stylesheet" type="text/css" href="molstar.css" />
+ </head>
+ <style>
+ body { margin: 0px; }
+ #app { position: absolute; width: 85%; height: 100%; }
+ #controls { position: absolute; right: 0; width: 15%; height: 100%; display: flex; flex-direction: column; overflow-y: scroll; }
+ h1 { text-align: center; margin: 12px; font-weight: bold; font-size: 120%; }
+ button { margin: 4px; margin-top: 0px; }
+ </style>
+ <body>
+ <div id="app"></div>
+ <div id="controls">
+ <h1 id="pdb-id">Loading...</h1>
+ <button onclick="clearInspections();">CLEAR</button>
+ </div>
+ <script type="text/javascript" src="./molstar.js"></script>
+ <script type="text/javascript">
+ var pdbId = window.location.search.match(/[?&]pdb=(\w+)/i)?.[1]?.toLowerCase() ?? '5elb';
+ var molstarViewer;
+ function inspect(structConnId) {
+ if (molstarViewer?.plugin) {
+ molstar.PluginExtensions.wwPDBStructConn.inspectStructConn(molstarViewer.plugin, pdbId, structConnId).then(nSelectedAtoms => {
+ if (nSelectedAtoms < 2) alert('Some of the interacting atoms were not found :(\n(maybe not present in the viewed assembly)');
+ });
+ }
+ }
+ function clearInspections() {
+ if (molstarViewer?.plugin) {
+ molstar.PluginExtensions.wwPDBStructConn.clearStructConnInspections(molstarViewer.plugin, pdbId);
+ }
+ }
+ molstar.Viewer.create('app', { layoutIsExpanded: false }).then(viewer => {
+ molstarViewer = viewer;
+ return viewer.loadPdb(pdbId);
+ }).then(() => {
+ const structConns = molstar.PluginExtensions.wwPDBStructConn.getStructConns(molstarViewer.plugin, pdbId);
+ const controls = document.getElementById('controls');
+ for (const structConnId in structConns) {
+ const button = document.createElement('button');
+ button.innerText = structConnId;
+ button.addEventListener('click', () => inspect(structConnId));
+ controls.appendChild(button);
+ };
+ document.getElementById('pdb-id').innerHTML = pdbId;
+ });
+ </script>
+ </body>
+</html>
+```
diff --git a/docs/interesting-pdb-entries.md b/docs/interesting-pdb-entries.md
index 8f405dc689f598ec8150bddb62322d0271d90a79..54d2c21453fa81006ca0ee1856637dacc23713db 100644
--- a/docs/interesting-pdb-entries.md
+++ b/docs/interesting-pdb-entries.md
@@ -26,6 +26,7 @@
* Non-standard residues
* Protein (1BRR, 5Z6Y)
* DNA (5D3G)
+ * Collagen (6JEC)
* Multiple models with different sets of ligands or missing ligands (1J6T, 1VRC, 2ICY, 1O2F)
* Long linear sugar chain (4HG6)
* Anisotropic B-factors/Ellipsoids (1EJG)
diff --git a/examples/7qpd.fw2.cif b/examples/7qpd.fw2.cif
new file mode 100644
index 0000000000000000000000000000000000000000..b13f14ba40f5c480a5017164d2b462a42e949fe1
--- /dev/null
+++ b/examples/7qpd.fw2.cif
@@ -0,0 +1,75130 @@
+data_7QPD
+_entry.id 7QPD
+
+_audit_conform.dict_name mmcif_pdbx.dic
+_audit_conform.dict_version 5.360
+_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
+
+loop_
+_database_2.database_id
+_database_2.database_code
+_database_2.pdbx_database_accession
+_database_2.pdbx_DOI
+PDB 7QPD pdb_00007qpd 10.2210/pdb7qpd/pdb
+WWPDB D_1292119957 ? ?
+EMDB EMD-14119 ? ?
+
+loop_
+_pdbx_database_related.db_name
+_pdbx_database_related.details
+_pdbx_database_related.db_id
+_pdbx_database_related.content_type
+PDB . 6ENY unspecified
+EMDB 'Structure of the human MHC I peptide-loading complex editing module' EMD-14119 'associated EM volume'
+
+_pdbx_database_status.status_code REL
+_pdbx_database_status.status_code_sf ?
+_pdbx_database_status.status_code_mr ?
+_pdbx_database_status.entry_id 7QPD
+_pdbx_database_status.recvd_initial_deposition_date 2022-01-03
+_pdbx_database_status.SG_entry N
+_pdbx_database_status.deposit_site PDBE
+_pdbx_database_status.process_site PDBE
+_pdbx_database_status.status_code_cs ?
+_pdbx_database_status.status_code_nmr_data ?
+_pdbx_database_status.methods_development_category ?
+_pdbx_database_status.pdb_format_compatible Y
+
+loop_
+_audit_author.name
+_audit_author.pdbx_ordinal
+_audit_author.identifier_ORCID
+'Domnick, A.' 1 ?
+'Susac, L.' 2 ?
+'Trowitzsch, S.' 3 0000-0001-9143-766X
+'Thomas, C.' 4 0000-0001-7441-1089
+'Tampe, R.' 5 0000-0002-0403-2160
+
+_citation.abstract ?
+_citation.abstract_id_CAS ?
+_citation.book_id_ISBN ?
+_citation.book_publisher ?
+_citation.book_publisher_city ?
+_citation.book_title ?
+_citation.coordinate_linkage ?
+_citation.country UK
+_citation.database_id_Medline ?
+_citation.details ?
+_citation.id primary
+_citation.journal_abbrev 'Nat Commun'
+_citation.journal_id_ASTM ?
+_citation.journal_id_CSD ?
+_citation.journal_id_ISSN 2041-1723
+_citation.journal_full ?
+_citation.journal_issue ?
+_citation.journal_volume 13
+_citation.language ?
+_citation.page_first 4701
+_citation.page_last 4701
+_citation.title 'Molecular basis of MHC I quality control in the peptide loading complex.'
+_citation.year 2022
+_citation.database_id_CSD ?
+_citation.pdbx_database_id_DOI 10.1038/s41467-022-32384-z
+_citation.pdbx_database_id_PubMed 35948544
+_citation.pdbx_database_id_patent ?
+_citation.unpublished_flag ?
+
+loop_
+_citation_author.citation_id
+_citation_author.name
+_citation_author.ordinal
+_citation_author.identifier_ORCID
+primary 'Domnick, A.' 1 0000-0002-4914-6911
+primary 'Winter, C.' 2 0000-0002-1616-9260
+primary 'Susac, L.' 3 ?
+primary 'Hennecke, L.' 4 ?
+primary 'Hensen, M.' 5 0000-0002-2200-5975
+primary 'Zitzmann, N.' 6 0000-0003-1969-4949
+primary 'Trowitzsch, S.' 7 0000-0001-9143-766X
+primary 'Thomas, C.' 8 0000-0001-7441-1089
+primary 'Tampe, R.' 9 0000-0002-0403-2160
+
+_cell.angle_alpha 90
+_cell.angle_alpha_esd ?
+_cell.angle_beta 90
+_cell.angle_beta_esd ?
+_cell.angle_gamma 90
+_cell.angle_gamma_esd ?
+_cell.entry_id 7QPD
+_cell.details ?
+_cell.formula_units_Z ?
+_cell.length_a 1
+_cell.length_a_esd ?
+_cell.length_b 1
+_cell.length_b_esd ?
+_cell.length_c 1
+_cell.length_c_esd ?
+_cell.volume ?
+_cell.volume_esd ?
+_cell.Z_PDB ?
+_cell.reciprocal_angle_alpha ?
+_cell.reciprocal_angle_beta ?
+_cell.reciprocal_angle_gamma ?
+_cell.reciprocal_angle_alpha_esd ?
+_cell.reciprocal_angle_beta_esd ?
+_cell.reciprocal_angle_gamma_esd ?
+_cell.reciprocal_length_a ?
+_cell.reciprocal_length_b ?
+_cell.reciprocal_length_c ?
+_cell.reciprocal_length_a_esd ?
+_cell.reciprocal_length_b_esd ?
+_cell.reciprocal_length_c_esd ?
+_cell.pdbx_unique_axis ?
+
+_symmetry.entry_id 7QPD
+_symmetry.cell_setting ?
+_symmetry.Int_Tables_number 1
+_symmetry.space_group_name_Hall ?
+_symmetry.space_group_name_H-M 'P 1'
+_symmetry.pdbx_full_space_group_name_H-M ?
+
+loop_
+_entity.id
+_entity.type
+1 polymer
+2 polymer
+3 polymer
+4 polymer
+5 polymer
+6 branched
+7 branched
+
+loop_
+_entity_name_com.entity_id
+_entity_name_com.name
+2 'TPSN,NGS-17,TAP-associated protein,TAP-binding protein'
+3
+;58 kDa glucose-regulated protein,58 kDa microsomal protein,p58,Disulfide isomerase ER-60,Endoplasmic reticulum resident protein 57,ERp57,Endoplasmic reticulum resident protein 60,ERp60
+;
+4 'MHC class I antigen A*3'
+5 'CRP55,Calregulin,Endoplasmic reticulum resident protein 60,ERp60,HACBP,grp60'
+
+loop_
+_entity_poly.entity_id
+_entity_poly.type
+_entity_poly.nstd_linkage
+_entity_poly.nstd_monomer
+_entity_poly.pdbx_seq_one_letter_code
+_entity_poly.pdbx_seq_one_letter_code_can
+_entity_poly.pdbx_strand_id
+_entity_poly.pdbx_target_identifier
+1 'polypeptide(L)' no no
+;IQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYAC
+RVNHVTLSQPKIVKWDRDM
+;
+;IQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYAC
+RVNHVTLSQPKIVKWDRDM
+; B ?
+2 'polypeptide(L)' no no
+;GPAVIECWFVEDASGKGLAKRPGALLLRQGPGEPPPRPDLDPELYLSVHDPAGALQAAFRRYPRGAPAPHCEMSRFVPLP
+ASAKWASGLTPAQNCPRALDGAWLMVSISSPVLSLSSLLRPQPEPQQEPVLITMATVVLTVLTHTPAPRVRLGQDALLDL
+SFAYMPPTSEAASSLAPGPPPFGLEWRRQHLGKGHLLLAATPGLNGQMPAAQEGAVAFAAWDDDEPWGPWTGNGTFWLPR
+VQPFQEGTYLATIHLPYLQGQVTLELAVYKPPKVSLMPATLARAAPGEAPPELLCLVSHFYPSGGLEVEWELRGGPGGRS
+QKAEGQRWLSALRHHSDGSVSLSGHLQPPPVTTEQHGARYACRIHHPSLPASGRSAEVTLEVAGLSGPSLEDSVGLFLSA
+FLLLGLFKALGWAAVYLSTCKDSKKKAE
+;
+;GPAVIECWFVEDASGKGLAKRPGALLLRQGPGEPPPRPDLDPELYLSVHDPAGALQAAFRRYPRGAPAPHCEMSRFVPLP
+ASAKWASGLTPAQNCPRALDGAWLMVSISSPVLSLSSLLRPQPEPQQEPVLITMATVVLTVLTHTPAPRVRLGQDALLDL
+SFAYMPPTSEAASSLAPGPPPFGLEWRRQHLGKGHLLLAATPGLNGQMPAAQEGAVAFAAWDDDEPWGPWTGNGTFWLPR
+VQPFQEGTYLATIHLPYLQGQVTLELAVYKPPKVSLMPATLARAAPGEAPPELLCLVSHFYPSGGLEVEWELRGGPGGRS
+QKAEGQRWLSALRHHSDGSVSLSGHLQPPPVTTEQHGARYACRIHHPSLPASGRSAEVTLEVAGLSGPSLEDSVGLFLSA
+FLLLGLFKALGWAAVYLSTCKDSKKKAE
+; T ?
+3 'polypeptide(L)' no no
+;SDVLELTDDNFESRISDTGSAGLMLVEFFAPWCGHCKRLAPEYEAAATRLKGIVPLAKVDCTANTNTCNKYGVSGYPTLK
+IFRDGEEAGAYDGPRTADGIVSHLKKQAGPASVPLRTEEEFKKFISDKDASIVGFFDDSFSEAHSEFLKAASNLRDNYRF
+AHTNVESLVNEYDDNGEGIILFRPSHLTNKFEDKTVAYTEQKMTSGKIKKFIQENIFGICPHMTEDNKDLIQGKDLLIAY
+YDVDYEKNAKGSNYWRNRVMMVAKKFLDAGHKLNFAVASRKTFSHELSDFGLESTAGEIPVVAIRTAKGEKFVMQEEFSR
+DGKALERFLQDYFDGNLKRYLKSEPIPESNDGPVKVVVAENFDEIVNNENKDVLIEFYAPWCGHCKNLEPKYKELGEKLS
+KDPNIVIAKMDATANDVPSPYEVRGFPTIYFSPANKKLNPKKYEGGRELSDFISYLQREATNPPVIQEEKPKKKKKAQED
+L
+;
+;SDVLELTDDNFESRISDTGSAGLMLVEFFAPWCGHCKRLAPEYEAAATRLKGIVPLAKVDCTANTNTCNKYGVSGYPTLK
+IFRDGEEAGAYDGPRTADGIVSHLKKQAGPASVPLRTEEEFKKFISDKDASIVGFFDDSFSEAHSEFLKAASNLRDNYRF
+AHTNVESLVNEYDDNGEGIILFRPSHLTNKFEDKTVAYTEQKMTSGKIKKFIQENIFGICPHMTEDNKDLIQGKDLLIAY
+YDVDYEKNAKGSNYWRNRVMMVAKKFLDAGHKLNFAVASRKTFSHELSDFGLESTAGEIPVVAIRTAKGEKFVMQEEFSR
+DGKALERFLQDYFDGNLKRYLKSEPIPESNDGPVKVVVAENFDEIVNNENKDVLIEFYAPWCGHCKNLEPKYKELGEKLS
+KDPNIVIAKMDATANDVPSPYEVRGFPTIYFSPANKKLNPKKYEGGRELSDFISYLQREATNPPVIQEEKPKKKKKAQED
+L
+; E ?
+4 'polypeptide(L)' no no
+;GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGT
+LRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYL
+DGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGT
+FQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWELSSQPTIPIVGIIAGLVLLGAVITGAVVAAVMWRRKSSDRKGGSY
+TQAASSDSAQGSDVSLTACKV
+;
+;GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGT
+LRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYL
+DGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGT
+FQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWELSSQPTIPIVGIIAGLVLLGAVITGAVVAAVMWRRKSSDRKGGSY
+TQAASSDSAQGSDVSLTACKV
+; M ?
+5 'polypeptide(L)' no no
+;EPAVYFKEQFLDGDGWTSRWIESKHKSDFGKFVLSSGKFYGDEEKDKGLQTSQDARFYALSASFEPFSNKGQTLVVQFTV
+KHEQNIDCGGGYVKLFPNSLDQTDMHGDSEYNIMFGPDICGPGTKKVHVIFNYKGKNVLINKDIRCKDDEFTHLYTLIVR
+PDNTYEVKIDNSQVESGSLEDDWDFLPPKKIKDPDASKPEDWDERAKIDDPTDSKPEDWDKPEHIPDPDAKKPEDWDEEM
+DGEWEPPVIQNPEYKGEWKPRQIDNPDYKGTWIHPEIDNPEYSPDPSIYAYDNFGVLGLDLWQVKSGTIFDNFLITNDEA
+YAEEFGNETWGVTKAAEKQMKDKQDEEQRLKEEEEDKKRKEEEEAEDKEDDEDKDEDEEDEEDKEEDEEEDVPGQAKDEL
+;
+;EPAVYFKEQFLDGDGWTSRWIESKHKSDFGKFVLSSGKFYGDEEKDKGLQTSQDARFYALSASFEPFSNKGQTLVVQFTV
+KHEQNIDCGGGYVKLFPNSLDQTDMHGDSEYNIMFGPDICGPGTKKVHVIFNYKGKNVLINKDIRCKDDEFTHLYTLIVR
+PDNTYEVKIDNSQVESGSLEDDWDFLPPKKIKDPDASKPEDWDERAKIDDPTDSKPEDWDKPEHIPDPDAKKPEDWDEEM
+DGEWEPPVIQNPEYKGEWKPRQIDNPDYKGTWIHPEIDNPEYSPDPSIYAYDNFGVLGLDLWQVKSGTIFDNFLITNDEA
+YAEEFGNETWGVTKAAEKQMKDKQDEEQRLKEEEEDKKRKEEEEAEDKEDDEDKDEDEEDEEDKEEDEEEDVPGQAKDEL
+; C ?
+
+loop_
+_entity_poly_seq.entity_id
+_entity_poly_seq.num
+_entity_poly_seq.mon_id
+1 1 ILE
+1 2 GLN
+1 3 ARG
+1 4 THR
+1 5 PRO
+1 6 LYS
+1 7 ILE
+1 8 GLN
+1 9 VAL
+1 10 TYR
+1 11 SER
+1 12 ARG
+1 13 HIS
+1 14 PRO
+1 15 ALA
+1 16 GLU
+1 17 ASN
+1 18 GLY
+1 19 LYS
+1 20 SER
+1 21 ASN
+1 22 PHE
+1 23 LEU
+1 24 ASN
+1 25 CYS
+1 26 TYR
+1 27 VAL
+1 28 SER
+1 29 GLY
+1 30 PHE
+1 31 HIS
+1 32 PRO
+1 33 SER
+1 34 ASP
+1 35 ILE
+1 36 GLU
+1 37 VAL
+1 38 ASP
+1 39 LEU
+1 40 LEU
+1 41 LYS
+1 42 ASN
+1 43 GLY
+1 44 GLU
+1 45 ARG
+1 46 ILE
+1 47 GLU
+1 48 LYS
+1 49 VAL
+1 50 GLU
+1 51 HIS
+1 52 SER
+1 53 ASP
+1 54 LEU
+1 55 SER
+1 56 PHE
+1 57 SER
+1 58 LYS
+1 59 ASP
+1 60 TRP
+1 61 SER
+1 62 PHE
+1 63 TYR
+1 64 LEU
+1 65 LEU
+1 66 TYR
+1 67 TYR
+1 68 THR
+1 69 GLU
+1 70 PHE
+1 71 THR
+1 72 PRO
+1 73 THR
+1 74 GLU
+1 75 LYS
+1 76 ASP
+1 77 GLU
+1 78 TYR
+1 79 ALA
+1 80 CYS
+1 81 ARG
+1 82 VAL
+1 83 ASN
+1 84 HIS
+1 85 VAL
+1 86 THR
+1 87 LEU
+1 88 SER
+1 89 GLN
+1 90 PRO
+1 91 LYS
+1 92 ILE
+1 93 VAL
+1 94 LYS
+1 95 TRP
+1 96 ASP
+1 97 ARG
+1 98 ASP
+1 99 MET
+2 1 GLY
+2 2 PRO
+2 3 ALA
+2 4 VAL
+2 5 ILE
+2 6 GLU
+2 7 CYS
+2 8 TRP
+2 9 PHE
+2 10 VAL
+2 11 GLU
+2 12 ASP
+2 13 ALA
+2 14 SER
+2 15 GLY
+2 16 LYS
+2 17 GLY
+2 18 LEU
+2 19 ALA
+2 20 LYS
+2 21 ARG
+2 22 PRO
+2 23 GLY
+2 24 ALA
+2 25 LEU
+2 26 LEU
+2 27 LEU
+2 28 ARG
+2 29 GLN
+2 30 GLY
+2 31 PRO
+2 32 GLY
+2 33 GLU
+2 34 PRO
+2 35 PRO
+2 36 PRO
+2 37 ARG
+2 38 PRO
+2 39 ASP
+2 40 LEU
+2 41 ASP
+2 42 PRO
+2 43 GLU
+2 44 LEU
+2 45 TYR
+2 46 LEU
+2 47 SER
+2 48 VAL
+2 49 HIS
+2 50 ASP
+2 51 PRO
+2 52 ALA
+2 53 GLY
+2 54 ALA
+2 55 LEU
+2 56 GLN
+2 57 ALA
+2 58 ALA
+2 59 PHE
+2 60 ARG
+2 61 ARG
+2 62 TYR
+2 63 PRO
+2 64 ARG
+2 65 GLY
+2 66 ALA
+2 67 PRO
+2 68 ALA
+2 69 PRO
+2 70 HIS
+2 71 CYS
+2 72 GLU
+2 73 MET
+2 74 SER
+2 75 ARG
+2 76 PHE
+2 77 VAL
+2 78 PRO
+2 79 LEU
+2 80 PRO
+2 81 ALA
+2 82 SER
+2 83 ALA
+2 84 LYS
+2 85 TRP
+2 86 ALA
+2 87 SER
+2 88 GLY
+2 89 LEU
+2 90 THR
+2 91 PRO
+2 92 ALA
+2 93 GLN
+2 94 ASN
+2 95 CYS
+2 96 PRO
+2 97 ARG
+2 98 ALA
+2 99 LEU
+2 100 ASP
+2 101 GLY
+2 102 ALA
+2 103 TRP
+2 104 LEU
+2 105 MET
+2 106 VAL
+2 107 SER
+2 108 ILE
+2 109 SER
+2 110 SER
+2 111 PRO
+2 112 VAL
+2 113 LEU
+2 114 SER
+2 115 LEU
+2 116 SER
+2 117 SER
+2 118 LEU
+2 119 LEU
+2 120 ARG
+2 121 PRO
+2 122 GLN
+2 123 PRO
+2 124 GLU
+2 125 PRO
+2 126 GLN
+2 127 GLN
+2 128 GLU
+2 129 PRO
+2 130 VAL
+2 131 LEU
+2 132 ILE
+2 133 THR
+2 134 MET
+2 135 ALA
+2 136 THR
+2 137 VAL
+2 138 VAL
+2 139 LEU
+2 140 THR
+2 141 VAL
+2 142 LEU
+2 143 THR
+2 144 HIS
+2 145 THR
+2 146 PRO
+2 147 ALA
+2 148 PRO
+2 149 ARG
+2 150 VAL
+2 151 ARG
+2 152 LEU
+2 153 GLY
+2 154 GLN
+2 155 ASP
+2 156 ALA
+2 157 LEU
+2 158 LEU
+2 159 ASP
+2 160 LEU
+2 161 SER
+2 162 PHE
+2 163 ALA
+2 164 TYR
+2 165 MET
+2 166 PRO
+2 167 PRO
+2 168 THR
+2 169 SER
+2 170 GLU
+2 171 ALA
+2 172 ALA
+2 173 SER
+2 174 SER
+2 175 LEU
+2 176 ALA
+2 177 PRO
+2 178 GLY
+2 179 PRO
+2 180 PRO
+2 181 PRO
+2 182 PHE
+2 183 GLY
+2 184 LEU
+2 185 GLU
+2 186 TRP
+2 187 ARG
+2 188 ARG
+2 189 GLN
+2 190 HIS
+2 191 LEU
+2 192 GLY
+2 193 LYS
+2 194 GLY
+2 195 HIS
+2 196 LEU
+2 197 LEU
+2 198 LEU
+2 199 ALA
+2 200 ALA
+2 201 THR
+2 202 PRO
+2 203 GLY
+2 204 LEU
+2 205 ASN
+2 206 GLY
+2 207 GLN
+2 208 MET
+2 209 PRO
+2 210 ALA
+2 211 ALA
+2 212 GLN
+2 213 GLU
+2 214 GLY
+2 215 ALA
+2 216 VAL
+2 217 ALA
+2 218 PHE
+2 219 ALA
+2 220 ALA
+2 221 TRP
+2 222 ASP
+2 223 ASP
+2 224 ASP
+2 225 GLU
+2 226 PRO
+2 227 TRP
+2 228 GLY
+2 229 PRO
+2 230 TRP
+2 231 THR
+2 232 GLY
+2 233 ASN
+2 234 GLY
+2 235 THR
+2 236 PHE
+2 237 TRP
+2 238 LEU
+2 239 PRO
+2 240 ARG
+2 241 VAL
+2 242 GLN
+2 243 PRO
+2 244 PHE
+2 245 GLN
+2 246 GLU
+2 247 GLY
+2 248 THR
+2 249 TYR
+2 250 LEU
+2 251 ALA
+2 252 THR
+2 253 ILE
+2 254 HIS
+2 255 LEU
+2 256 PRO
+2 257 TYR
+2 258 LEU
+2 259 GLN
+2 260 GLY
+2 261 GLN
+2 262 VAL
+2 263 THR
+2 264 LEU
+2 265 GLU
+2 266 LEU
+2 267 ALA
+2 268 VAL
+2 269 TYR
+2 270 LYS
+2 271 PRO
+2 272 PRO
+2 273 LYS
+2 274 VAL
+2 275 SER
+2 276 LEU
+2 277 MET
+2 278 PRO
+2 279 ALA
+2 280 THR
+2 281 LEU
+2 282 ALA
+2 283 ARG
+2 284 ALA
+2 285 ALA
+2 286 PRO
+2 287 GLY
+2 288 GLU
+2 289 ALA
+2 290 PRO
+2 291 PRO
+2 292 GLU
+2 293 LEU
+2 294 LEU
+2 295 CYS
+2 296 LEU
+2 297 VAL
+2 298 SER
+2 299 HIS
+2 300 PHE
+2 301 TYR
+2 302 PRO
+2 303 SER
+2 304 GLY
+2 305 GLY
+2 306 LEU
+2 307 GLU
+2 308 VAL
+2 309 GLU
+2 310 TRP
+2 311 GLU
+2 312 LEU
+2 313 ARG
+2 314 GLY
+2 315 GLY
+2 316 PRO
+2 317 GLY
+2 318 GLY
+2 319 ARG
+2 320 SER
+2 321 GLN
+2 322 LYS
+2 323 ALA
+2 324 GLU
+2 325 GLY
+2 326 GLN
+2 327 ARG
+2 328 TRP
+2 329 LEU
+2 330 SER
+2 331 ALA
+2 332 LEU
+2 333 ARG
+2 334 HIS
+2 335 HIS
+2 336 SER
+2 337 ASP
+2 338 GLY
+2 339 SER
+2 340 VAL
+2 341 SER
+2 342 LEU
+2 343 SER
+2 344 GLY
+2 345 HIS
+2 346 LEU
+2 347 GLN
+2 348 PRO
+2 349 PRO
+2 350 PRO
+2 351 VAL
+2 352 THR
+2 353 THR
+2 354 GLU
+2 355 GLN
+2 356 HIS
+2 357 GLY
+2 358 ALA
+2 359 ARG
+2 360 TYR
+2 361 ALA
+2 362 CYS
+2 363 ARG
+2 364 ILE
+2 365 HIS
+2 366 HIS
+2 367 PRO
+2 368 SER
+2 369 LEU
+2 370 PRO
+2 371 ALA
+2 372 SER
+2 373 GLY
+2 374 ARG
+2 375 SER
+2 376 ALA
+2 377 GLU
+2 378 VAL
+2 379 THR
+2 380 LEU
+2 381 GLU
+2 382 VAL
+2 383 ALA
+2 384 GLY
+2 385 LEU
+2 386 SER
+2 387 GLY
+2 388 PRO
+2 389 SER
+2 390 LEU
+2 391 GLU
+2 392 ASP
+2 393 SER
+2 394 VAL
+2 395 GLY
+2 396 LEU
+2 397 PHE
+2 398 LEU
+2 399 SER
+2 400 ALA
+2 401 PHE
+2 402 LEU
+2 403 LEU
+2 404 LEU
+2 405 GLY
+2 406 LEU
+2 407 PHE
+2 408 LYS
+2 409 ALA
+2 410 LEU
+2 411 GLY
+2 412 TRP
+2 413 ALA
+2 414 ALA
+2 415 VAL
+2 416 TYR
+2 417 LEU
+2 418 SER
+2 419 THR
+2 420 CYS
+2 421 LYS
+2 422 ASP
+2 423 SER
+2 424 LYS
+2 425 LYS
+2 426 LYS
+2 427 ALA
+2 428 GLU
+3 1 SER
+3 2 ASP
+3 3 VAL
+3 4 LEU
+3 5 GLU
+3 6 LEU
+3 7 THR
+3 8 ASP
+3 9 ASP
+3 10 ASN
+3 11 PHE
+3 12 GLU
+3 13 SER
+3 14 ARG
+3 15 ILE
+3 16 SER
+3 17 ASP
+3 18 THR
+3 19 GLY
+3 20 SER
+3 21 ALA
+3 22 GLY
+3 23 LEU
+3 24 MET
+3 25 LEU
+3 26 VAL
+3 27 GLU
+3 28 PHE
+3 29 PHE
+3 30 ALA
+3 31 PRO
+3 32 TRP
+3 33 CYS
+3 34 GLY
+3 35 HIS
+3 36 CYS
+3 37 LYS
+3 38 ARG
+3 39 LEU
+3 40 ALA
+3 41 PRO
+3 42 GLU
+3 43 TYR
+3 44 GLU
+3 45 ALA
+3 46 ALA
+3 47 ALA
+3 48 THR
+3 49 ARG
+3 50 LEU
+3 51 LYS
+3 52 GLY
+3 53 ILE
+3 54 VAL
+3 55 PRO
+3 56 LEU
+3 57 ALA
+3 58 LYS
+3 59 VAL
+3 60 ASP
+3 61 CYS
+3 62 THR
+3 63 ALA
+3 64 ASN
+3 65 THR
+3 66 ASN
+3 67 THR
+3 68 CYS
+3 69 ASN
+3 70 LYS
+3 71 TYR
+3 72 GLY
+3 73 VAL
+3 74 SER
+3 75 GLY
+3 76 TYR
+3 77 PRO
+3 78 THR
+3 79 LEU
+3 80 LYS
+3 81 ILE
+3 82 PHE
+3 83 ARG
+3 84 ASP
+3 85 GLY
+3 86 GLU
+3 87 GLU
+3 88 ALA
+3 89 GLY
+3 90 ALA
+3 91 TYR
+3 92 ASP
+3 93 GLY
+3 94 PRO
+3 95 ARG
+3 96 THR
+3 97 ALA
+3 98 ASP
+3 99 GLY
+3 100 ILE
+3 101 VAL
+3 102 SER
+3 103 HIS
+3 104 LEU
+3 105 LYS
+3 106 LYS
+3 107 GLN
+3 108 ALA
+3 109 GLY
+3 110 PRO
+3 111 ALA
+3 112 SER
+3 113 VAL
+3 114 PRO
+3 115 LEU
+3 116 ARG
+3 117 THR
+3 118 GLU
+3 119 GLU
+3 120 GLU
+3 121 PHE
+3 122 LYS
+3 123 LYS
+3 124 PHE
+3 125 ILE
+3 126 SER
+3 127 ASP
+3 128 LYS
+3 129 ASP
+3 130 ALA
+3 131 SER
+3 132 ILE
+3 133 VAL
+3 134 GLY
+3 135 PHE
+3 136 PHE
+3 137 ASP
+3 138 ASP
+3 139 SER
+3 140 PHE
+3 141 SER
+3 142 GLU
+3 143 ALA
+3 144 HIS
+3 145 SER
+3 146 GLU
+3 147 PHE
+3 148 LEU
+3 149 LYS
+3 150 ALA
+3 151 ALA
+3 152 SER
+3 153 ASN
+3 154 LEU
+3 155 ARG
+3 156 ASP
+3 157 ASN
+3 158 TYR
+3 159 ARG
+3 160 PHE
+3 161 ALA
+3 162 HIS
+3 163 THR
+3 164 ASN
+3 165 VAL
+3 166 GLU
+3 167 SER
+3 168 LEU
+3 169 VAL
+3 170 ASN
+3 171 GLU
+3 172 TYR
+3 173 ASP
+3 174 ASP
+3 175 ASN
+3 176 GLY
+3 177 GLU
+3 178 GLY
+3 179 ILE
+3 180 ILE
+3 181 LEU
+3 182 PHE
+3 183 ARG
+3 184 PRO
+3 185 SER
+3 186 HIS
+3 187 LEU
+3 188 THR
+3 189 ASN
+3 190 LYS
+3 191 PHE
+3 192 GLU
+3 193 ASP
+3 194 LYS
+3 195 THR
+3 196 VAL
+3 197 ALA
+3 198 TYR
+3 199 THR
+3 200 GLU
+3 201 GLN
+3 202 LYS
+3 203 MET
+3 204 THR
+3 205 SER
+3 206 GLY
+3 207 LYS
+3 208 ILE
+3 209 LYS
+3 210 LYS
+3 211 PHE
+3 212 ILE
+3 213 GLN
+3 214 GLU
+3 215 ASN
+3 216 ILE
+3 217 PHE
+3 218 GLY
+3 219 ILE
+3 220 CYS
+3 221 PRO
+3 222 HIS
+3 223 MET
+3 224 THR
+3 225 GLU
+3 226 ASP
+3 227 ASN
+3 228 LYS
+3 229 ASP
+3 230 LEU
+3 231 ILE
+3 232 GLN
+3 233 GLY
+3 234 LYS
+3 235 ASP
+3 236 LEU
+3 237 LEU
+3 238 ILE
+3 239 ALA
+3 240 TYR
+3 241 TYR
+3 242 ASP
+3 243 VAL
+3 244 ASP
+3 245 TYR
+3 246 GLU
+3 247 LYS
+3 248 ASN
+3 249 ALA
+3 250 LYS
+3 251 GLY
+3 252 SER
+3 253 ASN
+3 254 TYR
+3 255 TRP
+3 256 ARG
+3 257 ASN
+3 258 ARG
+3 259 VAL
+3 260 MET
+3 261 MET
+3 262 VAL
+3 263 ALA
+3 264 LYS
+3 265 LYS
+3 266 PHE
+3 267 LEU
+3 268 ASP
+3 269 ALA
+3 270 GLY
+3 271 HIS
+3 272 LYS
+3 273 LEU
+3 274 ASN
+3 275 PHE
+3 276 ALA
+3 277 VAL
+3 278 ALA
+3 279 SER
+3 280 ARG
+3 281 LYS
+3 282 THR
+3 283 PHE
+3 284 SER
+3 285 HIS
+3 286 GLU
+3 287 LEU
+3 288 SER
+3 289 ASP
+3 290 PHE
+3 291 GLY
+3 292 LEU
+3 293 GLU
+3 294 SER
+3 295 THR
+3 296 ALA
+3 297 GLY
+3 298 GLU
+3 299 ILE
+3 300 PRO
+3 301 VAL
+3 302 VAL
+3 303 ALA
+3 304 ILE
+3 305 ARG
+3 306 THR
+3 307 ALA
+3 308 LYS
+3 309 GLY
+3 310 GLU
+3 311 LYS
+3 312 PHE
+3 313 VAL
+3 314 MET
+3 315 GLN
+3 316 GLU
+3 317 GLU
+3 318 PHE
+3 319 SER
+3 320 ARG
+3 321 ASP
+3 322 GLY
+3 323 LYS
+3 324 ALA
+3 325 LEU
+3 326 GLU
+3 327 ARG
+3 328 PHE
+3 329 LEU
+3 330 GLN
+3 331 ASP
+3 332 TYR
+3 333 PHE
+3 334 ASP
+3 335 GLY
+3 336 ASN
+3 337 LEU
+3 338 LYS
+3 339 ARG
+3 340 TYR
+3 341 LEU
+3 342 LYS
+3 343 SER
+3 344 GLU
+3 345 PRO
+3 346 ILE
+3 347 PRO
+3 348 GLU
+3 349 SER
+3 350 ASN
+3 351 ASP
+3 352 GLY
+3 353 PRO
+3 354 VAL
+3 355 LYS
+3 356 VAL
+3 357 VAL
+3 358 VAL
+3 359 ALA
+3 360 GLU
+3 361 ASN
+3 362 PHE
+3 363 ASP
+3 364 GLU
+3 365 ILE
+3 366 VAL
+3 367 ASN
+3 368 ASN
+3 369 GLU
+3 370 ASN
+3 371 LYS
+3 372 ASP
+3 373 VAL
+3 374 LEU
+3 375 ILE
+3 376 GLU
+3 377 PHE
+3 378 TYR
+3 379 ALA
+3 380 PRO
+3 381 TRP
+3 382 CYS
+3 383 GLY
+3 384 HIS
+3 385 CYS
+3 386 LYS
+3 387 ASN
+3 388 LEU
+3 389 GLU
+3 390 PRO
+3 391 LYS
+3 392 TYR
+3 393 LYS
+3 394 GLU
+3 395 LEU
+3 396 GLY
+3 397 GLU
+3 398 LYS
+3 399 LEU
+3 400 SER
+3 401 LYS
+3 402 ASP
+3 403 PRO
+3 404 ASN
+3 405 ILE
+3 406 VAL
+3 407 ILE
+3 408 ALA
+3 409 LYS
+3 410 MET
+3 411 ASP
+3 412 ALA
+3 413 THR
+3 414 ALA
+3 415 ASN
+3 416 ASP
+3 417 VAL
+3 418 PRO
+3 419 SER
+3 420 PRO
+3 421 TYR
+3 422 GLU
+3 423 VAL
+3 424 ARG
+3 425 GLY
+3 426 PHE
+3 427 PRO
+3 428 THR
+3 429 ILE
+3 430 TYR
+3 431 PHE
+3 432 SER
+3 433 PRO
+3 434 ALA
+3 435 ASN
+3 436 LYS
+3 437 LYS
+3 438 LEU
+3 439 ASN
+3 440 PRO
+3 441 LYS
+3 442 LYS
+3 443 TYR
+3 444 GLU
+3 445 GLY
+3 446 GLY
+3 447 ARG
+3 448 GLU
+3 449 LEU
+3 450 SER
+3 451 ASP
+3 452 PHE
+3 453 ILE
+3 454 SER
+3 455 TYR
+3 456 LEU
+3 457 GLN
+3 458 ARG
+3 459 GLU
+3 460 ALA
+3 461 THR
+3 462 ASN
+3 463 PRO
+3 464 PRO
+3 465 VAL
+3 466 ILE
+3 467 GLN
+3 468 GLU
+3 469 GLU
+3 470 LYS
+3 471 PRO
+3 472 LYS
+3 473 LYS
+3 474 LYS
+3 475 LYS
+3 476 LYS
+3 477 ALA
+3 478 GLN
+3 479 GLU
+3 480 ASP
+3 481 LEU
+4 1 GLY
+4 2 SER
+4 3 HIS
+4 4 SER
+4 5 MET
+4 6 ARG
+4 7 TYR
+4 8 PHE
+4 9 PHE
+4 10 THR
+4 11 SER
+4 12 VAL
+4 13 SER
+4 14 ARG
+4 15 PRO
+4 16 GLY
+4 17 ARG
+4 18 GLY
+4 19 GLU
+4 20 PRO
+4 21 ARG
+4 22 PHE
+4 23 ILE
+4 24 ALA
+4 25 VAL
+4 26 GLY
+4 27 TYR
+4 28 VAL
+4 29 ASP
+4 30 ASP
+4 31 THR
+4 32 GLN
+4 33 PHE
+4 34 VAL
+4 35 ARG
+4 36 PHE
+4 37 ASP
+4 38 SER
+4 39 ASP
+4 40 ALA
+4 41 ALA
+4 42 SER
+4 43 GLN
+4 44 ARG
+4 45 MET
+4 46 GLU
+4 47 PRO
+4 48 ARG
+4 49 ALA
+4 50 PRO
+4 51 TRP
+4 52 ILE
+4 53 GLU
+4 54 GLN
+4 55 GLU
+4 56 GLY
+4 57 PRO
+4 58 GLU
+4 59 TYR
+4 60 TRP
+4 61 ASP
+4 62 GLN
+4 63 GLU
+4 64 THR
+4 65 ARG
+4 66 ASN
+4 67 VAL
+4 68 LYS
+4 69 ALA
+4 70 GLN
+4 71 SER
+4 72 GLN
+4 73 THR
+4 74 ASP
+4 75 ARG
+4 76 VAL
+4 77 ASP
+4 78 LEU
+4 79 GLY
+4 80 THR
+4 81 LEU
+4 82 ARG
+4 83 GLY
+4 84 TYR
+4 85 TYR
+4 86 ASN
+4 87 GLN
+4 88 SER
+4 89 GLU
+4 90 ALA
+4 91 GLY
+4 92 SER
+4 93 HIS
+4 94 THR
+4 95 ILE
+4 96 GLN
+4 97 ILE
+4 98 MET
+4 99 TYR
+4 100 GLY
+4 101 CYS
+4 102 ASP
+4 103 VAL
+4 104 GLY
+4 105 SER
+4 106 ASP
+4 107 GLY
+4 108 ARG
+4 109 PHE
+4 110 LEU
+4 111 ARG
+4 112 GLY
+4 113 TYR
+4 114 ARG
+4 115 GLN
+4 116 ASP
+4 117 ALA
+4 118 TYR
+4 119 ASP
+4 120 GLY
+4 121 LYS
+4 122 ASP
+4 123 TYR
+4 124 ILE
+4 125 ALA
+4 126 LEU
+4 127 ASN
+4 128 GLU
+4 129 ASP
+4 130 LEU
+4 131 ARG
+4 132 SER
+4 133 TRP
+4 134 THR
+4 135 ALA
+4 136 ALA
+4 137 ASP
+4 138 MET
+4 139 ALA
+4 140 ALA
+4 141 GLN
+4 142 ILE
+4 143 THR
+4 144 LYS
+4 145 ARG
+4 146 LYS
+4 147 TRP
+4 148 GLU
+4 149 ALA
+4 150 ALA
+4 151 HIS
+4 152 GLU
+4 153 ALA
+4 154 GLU
+4 155 GLN
+4 156 LEU
+4 157 ARG
+4 158 ALA
+4 159 TYR
+4 160 LEU
+4 161 ASP
+4 162 GLY
+4 163 THR
+4 164 CYS
+4 165 VAL
+4 166 GLU
+4 167 TRP
+4 168 LEU
+4 169 ARG
+4 170 ARG
+4 171 TYR
+4 172 LEU
+4 173 GLU
+4 174 ASN
+4 175 GLY
+4 176 LYS
+4 177 GLU
+4 178 THR
+4 179 LEU
+4 180 GLN
+4 181 ARG
+4 182 THR
+4 183 ASP
+4 184 PRO
+4 185 PRO
+4 186 LYS
+4 187 THR
+4 188 HIS
+4 189 MET
+4 190 THR
+4 191 HIS
+4 192 HIS
+4 193 PRO
+4 194 ILE
+4 195 SER
+4 196 ASP
+4 197 HIS
+4 198 GLU
+4 199 ALA
+4 200 THR
+4 201 LEU
+4 202 ARG
+4 203 CYS
+4 204 TRP
+4 205 ALA
+4 206 LEU
+4 207 GLY
+4 208 PHE
+4 209 TYR
+4 210 PRO
+4 211 ALA
+4 212 GLU
+4 213 ILE
+4 214 THR
+4 215 LEU
+4 216 THR
+4 217 TRP
+4 218 GLN
+4 219 ARG
+4 220 ASP
+4 221 GLY
+4 222 GLU
+4 223 ASP
+4 224 GLN
+4 225 THR
+4 226 GLN
+4 227 ASP
+4 228 THR
+4 229 GLU
+4 230 LEU
+4 231 VAL
+4 232 GLU
+4 233 THR
+4 234 ARG
+4 235 PRO
+4 236 ALA
+4 237 GLY
+4 238 ASP
+4 239 GLY
+4 240 THR
+4 241 PHE
+4 242 GLN
+4 243 LYS
+4 244 TRP
+4 245 ALA
+4 246 ALA
+4 247 VAL
+4 248 VAL
+4 249 VAL
+4 250 PRO
+4 251 SER
+4 252 GLY
+4 253 GLU
+4 254 GLU
+4 255 GLN
+4 256 ARG
+4 257 TYR
+4 258 THR
+4 259 CYS
+4 260 HIS
+4 261 VAL
+4 262 GLN
+4 263 HIS
+4 264 GLU
+4 265 GLY
+4 266 LEU
+4 267 PRO
+4 268 LYS
+4 269 PRO
+4 270 LEU
+4 271 THR
+4 272 LEU
+4 273 ARG
+4 274 TRP
+4 275 GLU
+4 276 LEU
+4 277 SER
+4 278 SER
+4 279 GLN
+4 280 PRO
+4 281 THR
+4 282 ILE
+4 283 PRO
+4 284 ILE
+4 285 VAL
+4 286 GLY
+4 287 ILE
+4 288 ILE
+4 289 ALA
+4 290 GLY
+4 291 LEU
+4 292 VAL
+4 293 LEU
+4 294 LEU
+4 295 GLY
+4 296 ALA
+4 297 VAL
+4 298 ILE
+4 299 THR
+4 300 GLY
+4 301 ALA
+4 302 VAL
+4 303 VAL
+4 304 ALA
+4 305 ALA
+4 306 VAL
+4 307 MET
+4 308 TRP
+4 309 ARG
+4 310 ARG
+4 311 LYS
+4 312 SER
+4 313 SER
+4 314 ASP
+4 315 ARG
+4 316 LYS
+4 317 GLY
+4 318 GLY
+4 319 SER
+4 320 TYR
+4 321 THR
+4 322 GLN
+4 323 ALA
+4 324 ALA
+4 325 SER
+4 326 SER
+4 327 ASP
+4 328 SER
+4 329 ALA
+4 330 GLN
+4 331 GLY
+4 332 SER
+4 333 ASP
+4 334 VAL
+4 335 SER
+4 336 LEU
+4 337 THR
+4 338 ALA
+4 339 CYS
+4 340 LYS
+4 341 VAL
+5 1 GLU
+5 2 PRO
+5 3 ALA
+5 4 VAL
+5 5 TYR
+5 6 PHE
+5 7 LYS
+5 8 GLU
+5 9 GLN
+5 10 PHE
+5 11 LEU
+5 12 ASP
+5 13 GLY
+5 14 ASP
+5 15 GLY
+5 16 TRP
+5 17 THR
+5 18 SER
+5 19 ARG
+5 20 TRP
+5 21 ILE
+5 22 GLU
+5 23 SER
+5 24 LYS
+5 25 HIS
+5 26 LYS
+5 27 SER
+5 28 ASP
+5 29 PHE
+5 30 GLY
+5 31 LYS
+5 32 PHE
+5 33 VAL
+5 34 LEU
+5 35 SER
+5 36 SER
+5 37 GLY
+5 38 LYS
+5 39 PHE
+5 40 TYR
+5 41 GLY
+5 42 ASP
+5 43 GLU
+5 44 GLU
+5 45 LYS
+5 46 ASP
+5 47 LYS
+5 48 GLY
+5 49 LEU
+5 50 GLN
+5 51 THR
+5 52 SER
+5 53 GLN
+5 54 ASP
+5 55 ALA
+5 56 ARG
+5 57 PHE
+5 58 TYR
+5 59 ALA
+5 60 LEU
+5 61 SER
+5 62 ALA
+5 63 SER
+5 64 PHE
+5 65 GLU
+5 66 PRO
+5 67 PHE
+5 68 SER
+5 69 ASN
+5 70 LYS
+5 71 GLY
+5 72 GLN
+5 73 THR
+5 74 LEU
+5 75 VAL
+5 76 VAL
+5 77 GLN
+5 78 PHE
+5 79 THR
+5 80 VAL
+5 81 LYS
+5 82 HIS
+5 83 GLU
+5 84 GLN
+5 85 ASN
+5 86 ILE
+5 87 ASP
+5 88 CYS
+5 89 GLY
+5 90 GLY
+5 91 GLY
+5 92 TYR
+5 93 VAL
+5 94 LYS
+5 95 LEU
+5 96 PHE
+5 97 PRO
+5 98 ASN
+5 99 SER
+5 100 LEU
+5 101 ASP
+5 102 GLN
+5 103 THR
+5 104 ASP
+5 105 MET
+5 106 HIS
+5 107 GLY
+5 108 ASP
+5 109 SER
+5 110 GLU
+5 111 TYR
+5 112 ASN
+5 113 ILE
+5 114 MET
+5 115 PHE
+5 116 GLY
+5 117 PRO
+5 118 ASP
+5 119 ILE
+5 120 CYS
+5 121 GLY
+5 122 PRO
+5 123 GLY
+5 124 THR
+5 125 LYS
+5 126 LYS
+5 127 VAL
+5 128 HIS
+5 129 VAL
+5 130 ILE
+5 131 PHE
+5 132 ASN
+5 133 TYR
+5 134 LYS
+5 135 GLY
+5 136 LYS
+5 137 ASN
+5 138 VAL
+5 139 LEU
+5 140 ILE
+5 141 ASN
+5 142 LYS
+5 143 ASP
+5 144 ILE
+5 145 ARG
+5 146 CYS
+5 147 LYS
+5 148 ASP
+5 149 ASP
+5 150 GLU
+5 151 PHE
+5 152 THR
+5 153 HIS
+5 154 LEU
+5 155 TYR
+5 156 THR
+5 157 LEU
+5 158 ILE
+5 159 VAL
+5 160 ARG
+5 161 PRO
+5 162 ASP
+5 163 ASN
+5 164 THR
+5 165 TYR
+5 166 GLU
+5 167 VAL
+5 168 LYS
+5 169 ILE
+5 170 ASP
+5 171 ASN
+5 172 SER
+5 173 GLN
+5 174 VAL
+5 175 GLU
+5 176 SER
+5 177 GLY
+5 178 SER
+5 179 LEU
+5 180 GLU
+5 181 ASP
+5 182 ASP
+5 183 TRP
+5 184 ASP
+5 185 PHE
+5 186 LEU
+5 187 PRO
+5 188 PRO
+5 189 LYS
+5 190 LYS
+5 191 ILE
+5 192 LYS
+5 193 ASP
+5 194 PRO
+5 195 ASP
+5 196 ALA
+5 197 SER
+5 198 LYS
+5 199 PRO
+5 200 GLU
+5 201 ASP
+5 202 TRP
+5 203 ASP
+5 204 GLU
+5 205 ARG
+5 206 ALA
+5 207 LYS
+5 208 ILE
+5 209 ASP
+5 210 ASP
+5 211 PRO
+5 212 THR
+5 213 ASP
+5 214 SER
+5 215 LYS
+5 216 PRO
+5 217 GLU
+5 218 ASP
+5 219 TRP
+5 220 ASP
+5 221 LYS
+5 222 PRO
+5 223 GLU
+5 224 HIS
+5 225 ILE
+5 226 PRO
+5 227 ASP
+5 228 PRO
+5 229 ASP
+5 230 ALA
+5 231 LYS
+5 232 LYS
+5 233 PRO
+5 234 GLU
+5 235 ASP
+5 236 TRP
+5 237 ASP
+5 238 GLU
+5 239 GLU
+5 240 MET
+5 241 ASP
+5 242 GLY
+5 243 GLU
+5 244 TRP
+5 245 GLU
+5 246 PRO
+5 247 PRO
+5 248 VAL
+5 249 ILE
+5 250 GLN
+5 251 ASN
+5 252 PRO
+5 253 GLU
+5 254 TYR
+5 255 LYS
+5 256 GLY
+5 257 GLU
+5 258 TRP
+5 259 LYS
+5 260 PRO
+5 261 ARG
+5 262 GLN
+5 263 ILE
+5 264 ASP
+5 265 ASN
+5 266 PRO
+5 267 ASP
+5 268 TYR
+5 269 LYS
+5 270 GLY
+5 271 THR
+5 272 TRP
+5 273 ILE
+5 274 HIS
+5 275 PRO
+5 276 GLU
+5 277 ILE
+5 278 ASP
+5 279 ASN
+5 280 PRO
+5 281 GLU
+5 282 TYR
+5 283 SER
+5 284 PRO
+5 285 ASP
+5 286 PRO
+5 287 SER
+5 288 ILE
+5 289 TYR
+5 290 ALA
+5 291 TYR
+5 292 ASP
+5 293 ASN
+5 294 PHE
+5 295 GLY
+5 296 VAL
+5 297 LEU
+5 298 GLY
+5 299 LEU
+5 300 ASP
+5 301 LEU
+5 302 TRP
+5 303 GLN
+5 304 VAL
+5 305 LYS
+5 306 SER
+5 307 GLY
+5 308 THR
+5 309 ILE
+5 310 PHE
+5 311 ASP
+5 312 ASN
+5 313 PHE
+5 314 LEU
+5 315 ILE
+5 316 THR
+5 317 ASN
+5 318 ASP
+5 319 GLU
+5 320 ALA
+5 321 TYR
+5 322 ALA
+5 323 GLU
+5 324 GLU
+5 325 PHE
+5 326 GLY
+5 327 ASN
+5 328 GLU
+5 329 THR
+5 330 TRP
+5 331 GLY
+5 332 VAL
+5 333 THR
+5 334 LYS
+5 335 ALA
+5 336 ALA
+5 337 GLU
+5 338 LYS
+5 339 GLN
+5 340 MET
+5 341 LYS
+5 342 ASP
+5 343 LYS
+5 344 GLN
+5 345 ASP
+5 346 GLU
+5 347 GLU
+5 348 GLN
+5 349 ARG
+5 350 LEU
+5 351 LYS
+5 352 GLU
+5 353 GLU
+5 354 GLU
+5 355 GLU
+5 356 ASP
+5 357 LYS
+5 358 LYS
+5 359 ARG
+5 360 LYS
+5 361 GLU
+5 362 GLU
+5 363 GLU
+5 364 GLU
+5 365 ALA
+5 366 GLU
+5 367 ASP
+5 368 LYS
+5 369 GLU
+5 370 ASP
+5 371 ASP
+5 372 GLU
+5 373 ASP
+5 374 LYS
+5 375 ASP
+5 376 GLU
+5 377 ASP
+5 378 GLU
+5 379 GLU
+5 380 ASP
+5 381 GLU
+5 382 GLU
+5 383 ASP
+5 384 LYS
+5 385 GLU
+5 386 GLU
+5 387 ASP
+5 388 GLU
+5 389 GLU
+5 390 GLU
+5 391 ASP
+5 392 VAL
+5 393 PRO
+5 394 GLY
+5 395 GLN
+5 396 ALA
+5 397 LYS
+5 398 ASP
+5 399 GLU
+5 400 LEU
+
+loop_
+_entity_src_nat.entity_id
+_entity_src_nat.pdbx_src_id
+_entity_src_nat.pdbx_alt_source_flag
+_entity_src_nat.pdbx_beg_seq_num
+_entity_src_nat.pdbx_end_seq_num
+_entity_src_nat.common_name
+_entity_src_nat.pdbx_organism_scientific
+_entity_src_nat.pdbx_ncbi_taxonomy_id
+_entity_src_nat.genus
+_entity_src_nat.species
+_entity_src_nat.strain
+_entity_src_nat.tissue
+_entity_src_nat.tissue_fraction
+_entity_src_nat.pdbx_secretion
+_entity_src_nat.pdbx_fragment
+_entity_src_nat.pdbx_variant
+_entity_src_nat.pdbx_cell_line
+_entity_src_nat.pdbx_atcc
+_entity_src_nat.pdbx_cellular_location
+_entity_src_nat.pdbx_organ
+_entity_src_nat.pdbx_organelle
+_entity_src_nat.pdbx_cell
+_entity_src_nat.pdbx_plasmid_name
+_entity_src_nat.pdbx_plasmid_details
+_entity_src_nat.details
+1 1 sample 1 99 human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
+2 1 sample 1 428 human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
+3 1 sample 1 481 human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
+4 1 sample 1 341 human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
+5 1 sample 1 400 human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
+
+loop_
+_struct_ref.id
+_struct_ref.entity_id
+_struct_ref.db_name
+_struct_ref.db_code
+_struct_ref.pdbx_db_accession
+_struct_ref.pdbx_db_isoform
+1 1 UNP 'B2MG_HUMAN' P61769 ?
+2 2 UNP 'TPSN_HUMAN' O15533 ?
+3 3 UNP 'PDIA3_HUMAN' P30101 ?
+4 4 UNP '1A03_HUMAN' P04439 ?
+5 5 UNP 'CALR_HUMAN' P27797 ?
+
+loop_
+_struct_ref_seq.align_id
+_struct_ref_seq.ref_id
+_struct_ref_seq.pdbx_strand_id
+_struct_ref_seq.seq_align_beg
+_struct_ref_seq.seq_align_end
+_struct_ref_seq.db_align_beg
+_struct_ref_seq.db_align_end
+_struct_ref_seq.pdbx_auth_seq_align_beg
+_struct_ref_seq.pdbx_seq_align_beg_ins_code
+_struct_ref_seq.pdbx_auth_seq_align_end
+_struct_ref_seq.pdbx_seq_align_end_ins_code
+1 1 B 1 99 21 119 1 ? 99 ?
+2 2 T 1 428 21 448 1 ? 428 ?
+3 3 E 1 481 25 505 1 ? 481 ?
+4 4 M 1 341 25 365 1 ? 341 ?
+5 5 C 1 400 18 417 1 ? 400 ?
+
+loop_
+_exptl.entry_id
+_exptl.method
+_exptl.crystals_number
+7QPD 'ELECTRON MICROSCOPY' ?
+
+_struct.entry_id 7QPD
+_struct.title 'Structure of the human MHC I peptide-loading complex editing module'
+_struct.pdbx_model_details ?
+_struct.pdbx_formula_weight ?
+_struct.pdbx_formula_weight_method ?
+_struct.pdbx_model_type_details ?
+_struct.pdbx_CASP_flag N
+
+_struct_keywords.entry_id 7QPD
+_struct_keywords.text 'antigen processing, peptide proofreading, chaperones, MHC I, IMMUNE SYSTEM'
+_struct_keywords.pdbx_keywords 'IMMUNE SYSTEM'
+
+loop_
+_struct_asym.id
+_struct_asym.entity_id
+A 1
+B 2
+C 3
+D 4
+E 5
+F 6
+G 7
+
+loop_
+_struct_conf.conf_type_id
+_struct_conf.id
+_struct_conf.beg_auth_asym_id
+_struct_conf.beg_label_asym_id
+_struct_conf.beg_label_comp_id
+_struct_conf.beg_label_seq_id
+_struct_conf.beg_auth_seq_id
+_struct_conf.pdbx_beg_PDB_ins_code
+_struct_conf.end_auth_asym_id
+_struct_conf.end_label_asym_id
+_struct_conf.end_label_comp_id
+_struct_conf.end_label_seq_id
+_struct_conf.end_auth_seq_id
+_struct_conf.pdbx_end_PDB_ins_code
+_struct_conf.pdbx_PDB_helix_class
+_struct_conf.pdbx_PDB_helix_length
+HELX_P H1 T B ASP 41 41 ? T B LEU 44 44 ? 5 4
+HELX_P H2 T B GLY 53 53 ? T B ARG 61 61 ? 1 9
+HELX_P H3 T B ALA 83 83 ? T B THR 90 90 ? 5 8
+HELX_P H4 T B ALA 98 98 ? T B ASP 100 100 ? 5 3
+HELX_P H5 T B GLN 242 242 ? T B GLU 246 246 ? 5 5
+HELX_P H6 E C THR 7 7 ? E C ASP 9 9 ? 5 3
+HELX_P H7 E C ASN 10 10 ? E C SER 16 16 ? 1 7
+HELX_P H8 E C CYS 33 33 ? E C LEU 50 50 ? 1 18
+HELX_P H9 E C ASN 64 64 ? E C GLY 72 72 ? 1 9
+HELX_P H10 E C THR 96 96 ? E C GLY 109 109 ? 1 14
+HELX_P H11 E C THR 117 117 ? E C SER 126 126 ? 1 10
+HELX_P H12 E C SER 141 141 ? E C LEU 154 154 ? 1 14
+HELX_P H13 E C VAL 165 165 ? E C GLU 171 171 ? 1 7
+HELX_P H14 E C PRO 184 184 ? E C THR 188 188 ? 5 5
+HELX_P H15 E C THR 204 204 ? E C ILE 216 216 ? 1 13
+HELX_P H16 E C ASN 227 227 ? E C GLN 232 232 ? 1 6
+HELX_P H17 E C ASP 244 244 ? E C GLY 270 270 ? 1 27
+HELX_P H18 E C PHE 283 283 ? E C PHE 290 290 ? 1 8
+HELX_P H19 E C GLY 322 322 ? E C GLY 335 335 ? 1 14
+HELX_P H20 E C ASN 361 361 ? E C VAL 366 366 ? 1 6
+HELX_P H21 E C CYS 382 382 ? E C LEU 399 399 ? 1 18
+HELX_P H22 E C SER 400 400 ? E C ASP 402 402 ? 5 3
+HELX_P H23 E C GLU 448 448 ? E C GLU 459 459 ? 1 12
+HELX_P H24 M D ALA 49 49 ? M D GLN 54 54 ? 1 6
+HELX_P H25 M D GLY 56 56 ? M D ASN 86 86 ? 1 31
+HELX_P H26 M D ASP 137 137 ? M D HIS 151 151 ? 1 15
+HELX_P H27 M D GLU 152 152 ? M D GLY 162 162 ? 1 11
+HELX_P H28 M D GLY 162 162 ? M D GLY 175 175 ? 1 14
+HELX_P H29 C E GLY 15 15 ? C E TRP 20 20 ? 1 6
+HELX_P H30 C E ASP 237 237 ? C E GLY 242 242 ? 1 6
+HELX_P H31 C E ASP 285 285 ? C E TYR 289 289 ? 5 5
+HELX_P H32 C E ASP 318 318 ? C E GLU 369 369 ? 1 52
+
+_struct_conf_type.id HELX_P
+_struct_conf_type.criteria ?
+_struct_conf_type.reference ?
+
+loop_
+_struct_conn.id
+_struct_conn.conn_type_id
+_struct_conn.ptnr1_auth_asym_id
+_struct_conn.ptnr1_label_asym_id
+_struct_conn.ptnr1_label_comp_id
+_struct_conn.ptnr1_label_seq_id
+_struct_conn.ptnr1_label_atom_id
+_struct_conn.pdbx_ptnr1_label_alt_id
+_struct_conn.ptnr1_auth_seq_id
+_struct_conn.pdbx_ptnr1_PDB_ins_code
+_struct_conn.ptnr1_symmetry
+_struct_conn.ptnr2_auth_asym_id
+_struct_conn.ptnr2_label_asym_id
+_struct_conn.ptnr2_label_comp_id
+_struct_conn.ptnr2_label_seq_id
+_struct_conn.ptnr2_label_atom_id
+_struct_conn.pdbx_ptnr2_label_alt_id
+_struct_conn.ptnr2_auth_seq_id
+_struct_conn.pdbx_ptnr2_PDB_ins_code
+_struct_conn.ptnr2_symmetry
+_struct_conn.details
+_struct_conn.pdbx_dist_value
+disulf1 disulf B A CYS 25 SG ? 25 ? 1_555 B A CYS 80 SG ? 80 ? 1_555 ? 2.0329
+disulf2 disulf T B CYS 7 SG ? 7 ? 1_555 T B CYS 71 SG ? 71 ? 1_555 ? 2.0318
+disulf3 disulf T B CYS 95 SG ? 95 ? 1_555 E C CYS 33 SG ? 33 ? 1_555 ? 2.0309
+disulf4 disulf T B CYS 295 SG ? 295 ? 1_555 T B CYS 362 SG ? 362 ? 1_555 ? 2.0339
+disulf5 disulf E C CYS 61 SG ? 61 ? 1_555 E C CYS 68 SG ? 68 ? 1_555 ? 2.0276
+disulf6 disulf E C CYS 382 SG ? 382 ? 1_555 E C CYS 385 SG ? 385 ? 1_555 ? 2.0328
+disulf7 disulf M D CYS 101 SG ? 101 ? 1_555 M D CYS 164 SG ? 164 ? 1_555 ? 2.0333
+disulf8 disulf M D CYS 203 SG ? 203 ? 1_555 M D CYS 259 SG ? 259 ? 1_555 ? 2.0413
+disulf9 disulf C E CYS 88 SG ? 88 ? 1_555 C E CYS 120 SG ? 120 ? 1_555 ? 2.0354
+covale1 covale T B ASN 233 ND2 ? 233 ? 1_555 A F NAG . C1 ? 1 ? 1_555 ? 1.4336
+covale2 covale M D ASN 86 ND2 ? 86 ? 1_555 D G NAG . C1 ? 1 ? 1_555 ? 1.4328
+covale3 covale A F NAG . O4 ? 1 ? 1_555 A F NAG . C1 ? 2 ? 1_555 ? 1.4406
+covale4 covale A F NAG . O4 ? 2 ? 1_555 A F BMA . C1 ? 3 ? 1_555 ? 1.4410
+covale5 covale D G NAG . O4 ? 1 ? 1_555 D G NAG . C1 ? 2 ? 1_555 ? 1.4391
+covale6 covale D G NAG . O4 ? 2 ? 1_555 D G BMA . C1 ? 3 ? 1_555 ? 1.4379
+covale7 covale D G BMA . O3 ? 3 ? 1_555 D G MAN . C1 ? 4 ? 1_555 ? 1.4390
+covale8 covale D G MAN . O2 ? 4 ? 1_555 D G MAN . C1 ? 5 ? 1_555 ? 1.4413
+covale9 covale D G MAN . O2 ? 5 ? 1_555 D G MAN . C1 ? 6 ? 1_555 ? 1.4402
+covale10 covale D G MAN . O3 ? 6 ? 1_555 D G GLC . C1 ? 7 ? 1_555 ? 1.4451
+
+loop_
+_struct_conn_type.id
+covale
+disulf
+
+loop_
+_struct_mon_prot_cis.pdbx_id
+_struct_mon_prot_cis.pdbx_PDB_model_num
+_struct_mon_prot_cis.label_asym_id
+_struct_mon_prot_cis.label_seq_id
+_struct_mon_prot_cis.auth_asym_id
+_struct_mon_prot_cis.auth_seq_id
+_struct_mon_prot_cis.pdbx_PDB_ins_code
+_struct_mon_prot_cis.label_comp_id
+_struct_mon_prot_cis.label_alt_id
+1 1 A 31 B 31 ? HIS .
+2 1 B 301 T 301 ? TYR .
+3 1 C 76 E 76 ? TYR .
+4 1 C 426 E 426 ? PHE .
+5 1 D 209 M 209 ? TYR .
+
+loop_
+_struct_sheet.id
+_struct_sheet.number_strands
+AA1 4
+AA2 2
+AA3 4
+AA4 2
+AA5 4
+AA6 2
+AA7 4
+AA8 5
+AA9 4
+AB1 3
+AB2 4
+AB3 4
+AB4 5
+AB5 5
+AB6 5
+AB7 4
+AB8 5
+AB9 7
+AC1 3
+AC2 4
+AC3 6
+AC4 7
+AC5 2
+AC6 3
+AC7 2
+AC8 2
+AC9 2
+
+loop_
+_struct_sheet_order.sheet_id
+_struct_sheet_order.range_id_1
+_struct_sheet_order.range_id_2
+_struct_sheet_order.sense
+AA1 1 2 anti-parallel
+AA1 2 3 anti-parallel
+AA1 3 4 anti-parallel
+AA2 1 2 anti-parallel
+AA3 1 2 anti-parallel
+AA3 2 3 anti-parallel
+AA3 3 4 anti-parallel
+AA4 1 2 anti-parallel
+AA5 1 2 parallel
+AA5 2 3 anti-parallel
+AA5 3 4 anti-parallel
+AA6 1 2 anti-parallel
+AA7 1 2 anti-parallel
+AA7 2 3 anti-parallel
+AA7 3 4 anti-parallel
+AA8 1 2 parallel
+AA8 2 3 anti-parallel
+AA8 3 4 anti-parallel
+AA8 4 5 anti-parallel
+AA9 1 2 parallel
+AA9 2 3 anti-parallel
+AA9 3 4 anti-parallel
+AB1 1 2 anti-parallel
+AB1 2 3 anti-parallel
+AB2 1 2 anti-parallel
+AB2 2 3 anti-parallel
+AB2 3 4 anti-parallel
+AB3 1 2 anti-parallel
+AB3 2 3 anti-parallel
+AB3 3 4 anti-parallel
+AB4 1 2 anti-parallel
+AB4 2 3 anti-parallel
+AB4 3 4 anti-parallel
+AB4 4 5 anti-parallel
+AB5 1 2 parallel
+AB5 2 3 parallel
+AB5 3 4 anti-parallel
+AB5 4 5 anti-parallel
+AB6 1 2 parallel
+AB6 2 3 parallel
+AB6 3 4 anti-parallel
+AB6 4 5 anti-parallel
+AB7 1 2 parallel
+AB7 2 3 anti-parallel
+AB7 3 4 anti-parallel
+AB8 1 2 parallel
+AB8 2 3 parallel
+AB8 3 4 anti-parallel
+AB8 4 5 anti-parallel
+AB9 1 2 anti-parallel
+AB9 2 3 anti-parallel
+AB9 3 4 anti-parallel
+AB9 4 5 anti-parallel
+AB9 5 6 anti-parallel
+AB9 6 7 anti-parallel
+AC1 1 2 anti-parallel
+AC1 2 3 anti-parallel
+AC2 1 2 anti-parallel
+AC2 2 3 anti-parallel
+AC2 3 4 anti-parallel
+AC3 1 2 anti-parallel
+AC3 2 3 anti-parallel
+AC3 3 4 anti-parallel
+AC3 4 5 anti-parallel
+AC3 5 6 anti-parallel
+AC4 1 2 anti-parallel
+AC4 2 3 anti-parallel
+AC4 3 4 anti-parallel
+AC4 4 5 anti-parallel
+AC4 5 6 anti-parallel
+AC4 6 7 anti-parallel
+AC5 1 2 anti-parallel
+AC6 1 2 anti-parallel
+AC6 2 3 anti-parallel
+AC7 1 2 anti-parallel
+AC8 1 2 anti-parallel
+AC9 1 2 anti-parallel
+
+loop_
+_struct_sheet_range.sheet_id
+_struct_sheet_range.id
+_struct_sheet_range.beg_auth_asym_id
+_struct_sheet_range.beg_label_asym_id
+_struct_sheet_range.beg_label_comp_id
+_struct_sheet_range.beg_label_seq_id
+_struct_sheet_range.beg_auth_seq_id
+_struct_sheet_range.pdbx_beg_PDB_ins_code
+_struct_sheet_range.end_auth_asym_id
+_struct_sheet_range.end_label_asym_id
+_struct_sheet_range.end_label_comp_id
+_struct_sheet_range.end_label_seq_id
+_struct_sheet_range.end_auth_seq_id
+_struct_sheet_range.pdbx_end_PDB_ins_code
+AA1 1 B A GLN 8 8 ? B A VAL 9 9 ?
+AA1 2 B A CYS 25 25 ? B A SER 28 28 ?
+AA1 3 B A PHE 62 62 ? B A TYR 66 66 ?
+AA1 4 B A SER 55 55 ? B A PHE 56 56 ?
+AA2 1 B A ASN 21 21 ? B A PHE 22 22 ?
+AA2 2 B A GLU 69 69 ? B A PHE 70 70 ?
+AA3 1 B A GLU 44 44 ? B A ARG 45 45 ?
+AA3 2 B A ILE 35 35 ? B A LYS 41 41 ?
+AA3 3 B A TYR 78 78 ? B A HIS 84 84 ?
+AA3 4 B A LYS 91 91 ? B A LYS 94 94 ?
+AA4 1 T B PHE 9 9 ? T B VAL 10 10 ?
+AA4 2 T B LYS 20 20 ? T B ARG 21 21 ?
+AA5 1 T B LEU 46 46 ? T B HIS 49 49 ?
+AA5 2 T B THR 133 133 ? T B VAL 137 137 ?
+AA5 3 T B SER 117 117 ? T B PRO 121 121 ?
+AA5 4 T B LEU 104 104 ? T B VAL 106 106 ?
+AA6 1 T B CYS 95 95 ? T B PRO 96 96 ?
+AA6 2 E C GLY 75 75 ? E C TYR 76 76 ?
+AA7 1 T B LEU 139 139 ? T B LEU 142 142 ?
+AA7 2 T B SER 161 161 ? T B TYR 164 164 ?
+AA7 3 T B TRP 230 230 ? T B ASN 233 233 ?
+AA7 4 T B ALA 220 220 ? T B TRP 221 221 ?
+AA8 1 T B ARG 149 149 ? T B ARG 151 151 ?
+AA8 2 T B GLU 265 265 ? T B TYR 269 269 ?
+AA8 3 T B GLY 247 247 ? T B LEU 255 255 ?
+AA8 4 T B GLY 183 183 ? T B GLN 189 189 ?
+AA8 5 T B HIS 195 195 ? T B ALA 200 200 ?
+AA9 1 T B ARG 149 149 ? T B ARG 151 151 ?
+AA9 2 T B GLU 265 265 ? T B TYR 269 269 ?
+AA9 3 T B GLY 247 247 ? T B LEU 255 255 ?
+AA9 4 T B LEU 258 258 ? T B VAL 262 262 ?
+AB1 1 T B ALA 156 156 ? T B LEU 158 158 ?
+AB1 2 T B PHE 236 236 ? T B LEU 238 238 ?
+AB1 3 T B VAL 216 216 ? T B ALA 217 217 ?
+AB2 1 T B VAL 274 274 ? T B MET 277 277 ?
+AB2 2 T B LEU 293 293 ? T B VAL 297 297 ?
+AB2 3 T B SER 343 343 ? T B GLN 347 347 ?
+AB2 4 T B GLN 326 326 ? T B TRP 328 328 ?
+AB3 1 T B GLN 321 321 ? T B LYS 322 322 ?
+AB3 2 T B GLU 307 307 ? T B ARG 313 313 ?
+AB3 3 T B ARG 359 359 ? T B HIS 365 365 ?
+AB3 4 T B ALA 376 376 ? T B VAL 378 378 ?
+AB4 1 T B HIS 334 334 ? T B HIS 335 335 ?
+AB4 2 M D GLU 229 229 ? M D PRO 235 235 ?
+AB4 3 M D PHE 241 241 ? M D PRO 250 250 ?
+AB4 4 M D GLU 198 198 ? M D PHE 208 208 ?
+AB4 5 M D HIS 188 188 ? M D HIS 192 192 ?
+AB5 1 E C LEU 4 4 ? E C GLU 5 5 ?
+AB5 2 E C LEU 56 56 ? E C ASP 60 60 ?
+AB5 3 E C MET 24 24 ? E C PHE 29 29 ?
+AB5 4 E C LYS 80 80 ? E C PHE 82 82 ?
+AB5 5 E C GLU 87 87 ? E C ALA 90 90 ?
+AB6 1 E C VAL 113 113 ? E C LEU 115 115 ?
+AB6 2 E C PHE 160 160 ? E C THR 163 163 ?
+AB6 3 E C SER 131 131 ? E C PHE 135 135 ?
+AB6 4 E C GLY 178 178 ? E C PHE 182 182 ?
+AB6 5 E C THR 195 195 ? E C ALA 197 197 ?
+AB7 1 E C ALA 276 276 ? E C SER 279 279 ?
+AB7 2 E C ILE 238 238 ? E C TYR 241 241 ?
+AB7 3 E C VAL 301 301 ? E C ARG 305 305 ?
+AB7 4 E C LYS 311 311 ? E C VAL 313 313 ?
+AB8 1 E C LYS 355 355 ? E C VAL 357 357 ?
+AB8 2 E C ILE 405 405 ? E C ASP 411 411 ?
+AB8 3 E C ASP 372 372 ? E C TYR 378 378 ?
+AB8 4 E C THR 428 428 ? E C SER 432 432 ?
+AB8 5 E C LYS 441 441 ? E C LYS 442 442 ?
+AB9 1 M D THR 31 31 ? M D ASP 37 37 ?
+AB9 2 M D ARG 21 21 ? M D VAL 28 28 ?
+AB9 3 M D HIS 3 3 ? M D VAL 12 12 ?
+AB9 4 M D THR 94 94 ? M D VAL 103 103 ?
+AB9 5 M D PHE 109 109 ? M D TYR 118 118 ?
+AB9 6 M D LYS 121 121 ? M D LEU 126 126 ?
+AB9 7 M D TRP 133 133 ? M D ALA 135 135 ?
+AC1 1 M D GLU 222 222 ? M D ASP 223 223 ?
+AC1 2 M D ILE 213 213 ? M D ARG 219 219 ?
+AC1 3 M D TYR 257 257 ? M D HIS 263 263 ?
+AC2 1 C E PHE 6 6 ? C E GLU 8 8 ?
+AC2 2 C E ILE 309 309 ? C E THR 316 316 ?
+AC2 3 C E GLY 48 48 ? C E THR 51 51 ?
+AC2 4 C E PHE 32 32 ? C E SER 35 35 ?
+AC3 1 C E PHE 6 6 ? C E GLU 8 8 ?
+AC3 2 C E ILE 309 309 ? C E THR 316 316 ?
+AC3 3 C E LEU 74 74 ? C E LYS 81 81 ?
+AC3 4 C E THR 152 152 ? C E ARG 160 160 ?
+AC3 5 C E THR 164 164 ? C E ILE 169 169 ?
+AC3 6 C E SER 172 172 ? C E SER 178 178 ?
+AC4 1 C E ILE 21 21 ? C E GLU 22 22 ?
+AC4 2 C E LEU 60 60 ? C E PHE 67 67 ?
+AC4 3 C E PHE 294 294 ? C E LEU 299 299 ?
+AC4 4 C E VAL 93 93 ? C E PHE 96 96 ?
+AC4 5 C E ILE 113 113 ? C E PHE 115 115 ?
+AC4 6 C E ILE 130 130 ? C E ASN 132 132 ?
+AC4 7 C E ASN 137 137 ? C E LEU 139 139 ?
+AC5 1 C E ARG 56 56 ? C E PHE 57 57 ?
+AC5 2 C E TRP 302 302 ? C E GLN 303 303 ?
+AC6 1 C E CYS 88 88 ? C E GLY 90 90 ?
+AC6 2 C E PRO 117 117 ? C E CYS 120 120 ?
+AC6 3 C E LYS 125 125 ? C E VAL 127 127 ?
+AC7 1 C E LYS 190 190 ? C E LYS 192 192 ?
+AC7 2 C E GLU 276 276 ? C E ASP 278 278 ?
+AC8 1 C E LYS 207 207 ? C E ILE 208 208 ?
+AC8 2 C E ILE 263 263 ? C E ASP 264 264 ?
+AC9 1 C E HIS 224 224 ? C E PRO 226 226 ?
+AC9 2 C E VAL 248 248 ? C E GLN 250 250 ?
+
+loop_
+_pdbx_struct_sheet_hbond.sheet_id
+_pdbx_struct_sheet_hbond.range_id_1
+_pdbx_struct_sheet_hbond.range_id_2
+_pdbx_struct_sheet_hbond.range_1_auth_asym_id
+_pdbx_struct_sheet_hbond.range_1_label_asym_id
+_pdbx_struct_sheet_hbond.range_1_label_comp_id
+_pdbx_struct_sheet_hbond.range_1_label_seq_id
+_pdbx_struct_sheet_hbond.range_1_auth_seq_id
+_pdbx_struct_sheet_hbond.range_1_PDB_ins_code
+_pdbx_struct_sheet_hbond.range_1_label_atom_id
+_pdbx_struct_sheet_hbond.range_2_auth_asym_id
+_pdbx_struct_sheet_hbond.range_2_label_asym_id
+_pdbx_struct_sheet_hbond.range_2_label_comp_id
+_pdbx_struct_sheet_hbond.range_2_label_seq_id
+_pdbx_struct_sheet_hbond.range_2_auth_seq_id
+_pdbx_struct_sheet_hbond.range_2_PDB_ins_code
+_pdbx_struct_sheet_hbond.range_2_label_atom_id
+AA1 1 2 B A GLN 8 8 ? N B A TYR 26 26 ? O
+AA1 2 3 B A CYS 25 25 ? N B A TYR 66 66 ? O
+AA1 3 4 B A TYR 63 63 ? O B A SER 55 55 ? N
+AA2 1 2 B A ASN 21 21 ? N B A PHE 70 70 ? O
+AA3 1 2 B A GLU 44 44 ? O B A LYS 41 41 ? N
+AA3 2 3 B A ASP 38 38 ? N B A ARG 81 81 ? O
+AA3 3 4 B A CYS 80 80 ? N B A VAL 93 93 ? O
+AA4 1 2 T B PHE 9 9 ? N T B ARG 21 21 ? O
+AA5 1 2 T B HIS 49 49 ? N T B ALA 135 135 ? O
+AA5 2 3 T B THR 136 136 ? O T B ARG 120 120 ? N
+AA5 3 4 T B LEU 119 119 ? O T B LEU 104 104 ? N
+AA6 1 2 T B CYS 95 95 ? N E C TYR 76 76 ? O
+AA7 1 2 T B LEU 142 142 ? N T B SER 161 161 ? O
+AA7 2 3 T B TYR 164 164 ? N T B TRP 230 230 ? O
+AA7 3 4 T B ASN 233 233 ? O T B ALA 220 220 ? N
+AA8 1 2 T B VAL 150 150 ? N T B TYR 269 269 ? O
+AA8 2 3 T B LEU 266 266 ? O T B GLY 247 247 ? N
+AA8 3 4 T B HIS 254 254 ? O T B GLY 183 183 ? N
+AA8 4 5 T B LEU 184 184 ? N T B ALA 200 200 ? O
+AA9 1 2 T B VAL 150 150 ? N T B TYR 269 269 ? O
+AA9 2 3 T B LEU 266 266 ? O T B GLY 247 247 ? N
+AA9 3 4 T B ALA 251 251 ? N T B VAL 262 262 ? O
+AB1 1 2 T B ALA 156 156 ? N T B LEU 238 238 ? O
+AB1 2 3 T B TRP 237 237 ? O T B VAL 216 216 ? N
+AB2 1 2 T B SER 275 275 ? N T B LEU 296 296 ? O
+AB2 2 3 T B CYS 295 295 ? N T B GLY 344 344 ? O
+AB2 3 4 T B GLN 347 347 ? O T B GLN 326 326 ? N
+AB3 1 2 T B GLN 321 321 ? O T B LEU 312 312 ? N
+AB3 2 3 T B GLU 311 311 ? N T B ALA 361 361 ? O
+AB3 3 4 T B CYS 362 362 ? N T B ALA 376 376 ? O
+AB4 1 2 T B HIS 334 334 ? N M D LEU 230 230 ? O
+AB4 2 3 M D GLU 229 229 ? N M D ALA 246 246 ? O
+AB4 3 4 M D LYS 243 243 ? O M D ALA 205 205 ? N
+AB4 4 5 M D THR 200 200 ? O M D HIS 192 192 ? N
+AB5 1 2 E C LEU 4 4 ? N E C LYS 58 58 ? O
+AB5 2 3 E C VAL 59 59 ? O E C PHE 29 29 ? N
+AB5 3 4 E C MET 24 24 ? N E C PHE 82 82 ? O
+AB5 4 5 E C ILE 81 81 ? N E C ALA 88 88 ? O
+AB6 1 2 E C LEU 115 115 ? N E C HIS 162 162 ? O
+AB6 2 3 E C ALA 161 161 ? O E C GLY 134 134 ? N
+AB6 3 4 E C SER 131 131 ? N E C PHE 182 182 ? O
+AB6 4 5 E C LEU 181 181 ? N E C VAL 196 196 ? O
+AB7 1 2 E C ALA 278 278 ? O E C ALA 239 239 ? N
+AB7 2 3 E C ILE 238 238 ? N E C ALA 303 303 ? O
+AB7 3 4 E C ILE 304 304 ? N E C PHE 312 312 ? O
+AB8 1 2 E C LYS 355 355 ? N E C ILE 407 407 ? O
+AB8 2 3 E C ALA 408 408 ? O E C LEU 374 374 ? N
+AB8 3 4 E C VAL 373 373 ? N E C SER 432 432 ? O
+AB8 4 5 E C PHE 431 431 ? N E C LYS 441 441 ? O
+AB9 1 2 M D PHE 36 36 ? O M D ALA 24 24 ? N
+AB9 2 3 M D TYR 27 27 ? O M D ARG 6 6 ? N
+AB9 3 4 M D SER 11 11 ? N M D ILE 95 95 ? O
+AB9 4 5 M D GLN 96 96 ? N M D ALA 117 117 ? O
+AB9 5 6 M D ASP 116 116 ? N M D ILE 124 124 ? O
+AB9 6 7 M D ALA 125 125 ? N M D THR 134 134 ? O
+AC1 1 2 M D GLU 222 222 ? O M D ARG 219 219 ? N
+AC1 2 3 M D GLN 218 218 ? N M D THR 258 258 ? O
+AC2 1 2 C E PHE 6 6 ? N C E ILE 315 315 ? O
+AC2 2 3 C E PHE 310 310 ? O C E LEU 49 49 ? N
+AC2 3 4 C E GLY 48 48 ? O C E SER 35 35 ? N
+AC3 1 2 C E PHE 6 6 ? N C E ILE 315 315 ? O
+AC3 2 3 C E ASP 311 311 ? O C E THR 79 79 ? N
+AC3 3 4 C E VAL 80 80 ? N C E HIS 153 153 ? O
+AC3 4 5 C E THR 156 156 ? N C E LYS 168 168 ? O
+AC3 5 6 C E ILE 169 169 ? N C E SER 172 172 ? O
+AC4 1 2 C E ILE 21 21 ? N C E SER 61 61 ? O
+AC4 2 3 C E PHE 67 67 ? N C E PHE 294 294 ? O
+AC4 3 4 C E GLY 295 295 ? O C E PHE 96 96 ? N
+AC4 4 5 C E LEU 95 95 ? N C E ILE 113 113 ? O
+AC4 5 6 C E MET 114 114 ? N C E ILE 130 130 ? O
+AC4 6 7 C E PHE 131 131 ? N C E VAL 138 138 ? O
+AC5 1 2 C E ARG 56 56 ? N C E GLN 303 303 ? O
+AC6 1 2 C E GLY 89 89 ? N C E ILE 119 119 ? O
+AC6 2 3 C E ASP 118 118 ? N C E LYS 126 126 ? O
+AC7 1 2 C E ILE 191 191 ? N C E ILE 277 277 ? O
+AC8 1 2 C E ILE 208 208 ? N C E ILE 263 263 ? O
+AC9 1 2 C E ILE 225 225 ? N C E ILE 249 249 ? O
+
+_atom_sites.entry_id 7QPD
+_atom_sites.Cartn_transf_matrix[1][1] ?
+_atom_sites.Cartn_transf_matrix[1][2] ?
+_atom_sites.Cartn_transf_matrix[1][3] ?
+_atom_sites.Cartn_transf_matrix[2][1] ?
+_atom_sites.Cartn_transf_matrix[2][2] ?
+_atom_sites.Cartn_transf_matrix[2][3] ?
+_atom_sites.Cartn_transf_matrix[3][1] ?
+_atom_sites.Cartn_transf_matrix[3][2] ?
+_atom_sites.Cartn_transf_matrix[3][3] ?
+_atom_sites.Cartn_transf_vector[1] ?
+_atom_sites.Cartn_transf_vector[2] ?
+_atom_sites.Cartn_transf_vector[3] ?
+_atom_sites.fract_transf_matrix[1][1] 1.000000
+_atom_sites.fract_transf_matrix[1][2] 0.000000
+_atom_sites.fract_transf_matrix[1][3] 0.000000
+_atom_sites.fract_transf_matrix[2][1] 0.000000
+_atom_sites.fract_transf_matrix[2][2] 1.000000
+_atom_sites.fract_transf_matrix[2][3] 0.000000
+_atom_sites.fract_transf_matrix[3][1] 0.000000
+_atom_sites.fract_transf_matrix[3][2] 0.000000
+_atom_sites.fract_transf_matrix[3][3] 1.000000
+_atom_sites.fract_transf_vector[1] 0.00000
+_atom_sites.fract_transf_vector[2] 0.00000
+_atom_sites.fract_transf_vector[3] 0.00000
+_atom_sites.solution_primary ?
+_atom_sites.solution_secondary ?
+_atom_sites.solution_hydrogens ?
+_atom_sites.special_details ?
+
+loop_
+_atom_type.symbol
+C
+N
+O
+S
+
+loop_
+_atom_site.id
+_atom_site.type_symbol
+_atom_site.label_atom_id
+_atom_site.label_alt_id
+_atom_site.label_comp_id
+_atom_site.label_asym_id
+_atom_site.label_entity_id
+_atom_site.label_seq_id
+_atom_site.pdbx_PDB_ins_code
+_atom_site.Cartn_x
+_atom_site.Cartn_y
+_atom_site.Cartn_z
+_atom_site.occupancy
+_atom_site.B_iso_or_equiv
+_atom_site.pdbx_formal_charge
+_atom_site.auth_seq_id
+_atom_site.auth_asym_id
+_atom_site.pdbx_PDB_model_num
+1 N N . ILE A 1 1 ? 193.237 175.377 188.233 1 2.99 ? 1 B 1
+2 C CA . ILE A 1 1 ? 193.569 176.511 187.383 1 2.99 ? 1 B 1
+3 C C . ILE A 1 1 ? 194.736 176.16 186.473 1 2.99 ? 1 B 1
+4 O O . ILE A 1 1 ? 195.855 176.623 186.682 1 2.99 ? 1 B 1
+5 C CB . ILE A 1 1 ? 193.888 177.758 188.22 1 2.99 ? 1 B 1
+6 N N . GLN A 1 2 ? 194.468 175.337 185.46 1 9.34 ? 2 B 1
+7 C CA . GLN A 1 2 ? 195.493 174.908 184.509 1 9.34 ? 2 B 1
+8 C C . GLN A 1 2 ? 195.445 175.804 183.271 1 9.34 ? 2 B 1
+9 O O . GLN A 1 2 ? 194.784 175.518 182.271 1 9.34 ? 2 B 1
+10 C CB . GLN A 1 2 ? 195.303 173.444 184.144 1 9.34 ? 2 B 1
+11 C CG . GLN A 1 2 ? 195.164 172.52 185.337 1 9.34 ? 2 B 1
+12 C CD . GLN A 1 2 ? 195.072 171.066 184.932 1 9.34 ? 2 B 1
+13 O OE1 . GLN A 1 2 ? 195.907 170.567 184.179 1 9.34 ? 2 B 1
+14 N NE2 . GLN A 1 2 ? 194.056 170.374 185.432 1 9.34 ? 2 B 1
+15 N N . ARG A 1 3 ? 196.169 176.915 183.356 1 12.37 ? 3 B 1
+16 C CA . ARG A 1 3 ? 196.234 177.844 182.237 1 12.37 ? 3 B 1
+17 C C . ARG A 1 3 ? 197.106 177.276 181.124 1 12.37 ? 3 B 1
+18 O O . ARG A 1 3 ? 198.131 176.641 181.383 1 12.37 ? 3 B 1
+19 C CB . ARG A 1 3 ? 196.772 179.192 182.71 1 12.37 ? 3 B 1
+20 C CG . ARG A 1 3 ? 195.749 180.01 183.476 1 12.37 ? 3 B 1
+21 C CD . ARG A 1 3 ? 196.18 181.458 183.629 1 12.37 ? 3 B 1
+22 N NE . ARG A 1 3 ? 197.4 181.581 184.415 1 12.37 ? 3 B 1
+23 C CZ . ARG A 1 3 ? 197.457 181.458 185.734 1 12.37 ? 3 B 1
+24 N NH1 . ARG A 1 3 ? 196.377 181.199 186.452 1 12.37 ? 3 B 1
+25 N NH2 . ARG A 1 3 ? 198.628 181.597 186.348 1 12.37 ? 3 B 1
+26 N N . THR A 1 4 ? 196.689 177.501 179.882 1 12.19 ? 4 B 1
+27 C CA . THR A 1 4 ? 197.414 176.984 178.735 1 12.19 ? 4 B 1
+28 C C . THR A 1 4 ? 198.644 177.841 178.446 1 12.19 ? 4 B 1
+29 O O . THR A 1 4 ? 198.632 179.053 178.672 1 12.19 ? 4 B 1
+30 C CB . THR A 1 4 ? 196.516 176.961 177.503 1 12.19 ? 4 B 1
+31 O OG1 . THR A 1 4 ? 196.024 178.282 177.249 1 12.19 ? 4 B 1
+32 C CG2 . THR A 1 4 ? 195.338 176.026 177.715 1 12.19 ? 4 B 1
+33 N N . PRO A 1 5 ? 199.719 177.235 177.946 1 8.14 ? 5 B 1
+34 C CA . PRO A 1 5 ? 200.875 178.032 177.526 1 8.14 ? 5 B 1
+35 C C . PRO A 1 5 ? 200.549 178.856 176.294 1 8.14 ? 5 B 1
+36 O O . PRO A 1 5 ? 199.734 178.46 175.458 1 8.14 ? 5 B 1
+37 C CB . PRO A 1 5 ? 201.943 176.976 177.228 1 8.14 ? 5 B 1
+38 C CG . PRO A 1 5 ? 201.173 175.766 176.872 1 8.14 ? 5 B 1
+39 C CD . PRO A 1 5 ? 199.929 175.797 177.713 1 8.14 ? 5 B 1
+40 N N . LYS A 1 6 ? 201.195 180.011 176.185 1 14.05 ? 6 B 1
+41 C CA . LYS A 1 6 ? 201.002 180.916 175.057 1 14.05 ? 6 B 1
+42 C C . LYS A 1 6 ? 202.335 181.057 174.333 1 14.05 ? 6 B 1
+43 O O . LYS A 1 6 ? 203.148 181.921 174.671 1 14.05 ? 6 B 1
+44 C CB . LYS A 1 6 ? 200.474 182.265 175.531 1 14.05 ? 6 B 1
+45 C CG . LYS A 1 6 ? 199.11 182.194 176.194 1 14.05 ? 6 B 1
+46 C CD . LYS A 1 6 ? 198.714 183.535 176.789 1 14.05 ? 6 B 1
+47 C CE . LYS A 1 6 ? 197.525 183.397 177.725 1 14.05 ? 6 B 1
+48 N NZ . LYS A 1 6 ? 197.765 182.387 178.791 1 14.05 ? 6 B 1
+49 N N . ILE A 1 7 ? 202.56 180.201 173.335 1 10.74 ? 7 B 1
+50 C CA . ILE A 1 7 ? 203.809 180.236 172.589 1 10.74 ? 7 B 1
+51 C C . ILE A 1 7 ? 203.932 181.563 171.86 1 10.74 ? 7 B 1
+52 O O . ILE A 1 7 ? 202.941 182.118 171.367 1 10.74 ? 7 B 1
+53 C CB . ILE A 1 7 ? 203.883 179.075 171.585 1 10.74 ? 7 B 1
+54 C CG1 . ILE A 1 7 ? 203.682 177.731 172.263 1 10.74 ? 7 B 1
+55 C CG2 . ILE A 1 7 ? 205.228 179.05 170.897 1 10.74 ? 7 B 1
+56 C CD1 . ILE A 1 7 ? 203.568 176.631 171.252 1 10.74 ? 7 B 1
+57 N N . GLN A 1 8 ? 205.155 182.077 171.781 1 9.34 ? 8 B 1
+58 C CA . GLN A 1 8 ? 205.468 183.237 170.954 1 9.34 ? 8 B 1
+59 C C . GLN A 1 8 ? 206.838 182.994 170.34 1 9.34 ? 8 B 1
+60 O O . GLN A 1 8 ? 207.859 183.258 170.978 1 9.34 ? 8 B 1
+61 C CB . GLN A 1 8 ? 205.445 184.529 171.772 1 9.34 ? 8 B 1
+62 C CG . GLN A 1 8 ? 204.066 184.894 172.3 1 9.34 ? 8 B 1
+63 C CD . GLN A 1 8 ? 204.097 185.993 173.339 1 9.34 ? 8 B 1
+64 O OE1 . GLN A 1 8 ? 205.129 186.255 173.951 1 9.34 ? 8 B 1
+65 N NE2 . GLN A 1 8 ? 202.955 186.635 173.553 1 9.34 ? 8 B 1
+66 N N . VAL A 1 9 ? 206.862 182.476 169.117 1 7.66 ? 9 B 1
+67 C CA . VAL A 1 9 ? 208.099 182.182 168.406 1 7.66 ? 9 B 1
+68 C C . VAL A 1 9 ? 208.549 183.44 167.684 1 7.66 ? 9 B 1
+69 O O . VAL A 1 9 ? 207.737 184.137 167.067 1 7.66 ? 9 B 1
+70 C CB . VAL A 1 9 ? 207.924 181.02 167.411 1 7.66 ? 9 B 1
+71 C CG1 . VAL A 1 9 ? 209.261 180.631 166.818 1 7.66 ? 9 B 1
+72 C CG2 . VAL A 1 9 ? 207.289 179.841 168.094 1 7.66 ? 9 B 1
+73 N N . TYR A 1 10 ? 209.838 183.73 167.763 1 7.85 ? 10 B 1
+74 C CA . TYR A 1 10 ? 210.42 184.902 167.117 1 7.85 ? 10 B 1
+75 C C . TYR A 1 10 ? 211.92 184.674 167.017 1 7.85 ? 10 B 1
+76 O O . TYR A 1 10 ? 212.406 183.549 167.178 1 7.85 ? 10 B 1
+77 C CB . TYR A 1 10 ? 210.1 186.184 167.883 1 7.85 ? 10 B 1
+78 C CG . TYR A 1 10 ? 210.435 186.115 169.35 1 7.85 ? 10 B 1
+79 C CD1 . TYR A 1 10 ? 209.492 185.714 170.275 1 7.85 ? 10 B 1
+80 C CD2 . TYR A 1 10 ? 211.697 186.452 169.808 1 7.85 ? 10 B 1
+81 C CE1 . TYR A 1 10 ? 209.791 185.649 171.611 1 7.85 ? 10 B 1
+82 C CE2 . TYR A 1 10 ? 212.004 186.391 171.144 1 7.85 ? 10 B 1
+83 C CZ . TYR A 1 10 ? 211.047 185.988 172.041 1 7.85 ? 10 B 1
+84 O OH . TYR A 1 10 ? 211.346 185.923 173.38 1 7.85 ? 10 B 1
+85 N N . SER A 1 11 ? 212.654 185.741 166.736 1 10.4 ? 11 B 1
+86 C CA . SER A 1 11 ? 214.105 185.706 166.686 1 10.4 ? 11 B 1
+87 C C . SER A 1 11 ? 214.651 186.991 167.288 1 10.4 ? 11 B 1
+88 O O . SER A 1 11 ? 213.986 188.029 167.252 1 10.4 ? 11 B 1
+89 C CB . SER A 1 11 ? 214.589 185.535 165.256 1 10.4 ? 11 B 1
+90 O OG . SER A 1 11 ? 213.959 186.466 164.398 1 10.4 ? 11 B 1
+91 N N . ARG A 1 12 ? 215.86 186.919 167.846 1 15.8 ? 12 B 1
+92 C CA . ARG A 1 12 ? 216.438 188.07 168.531 1 15.8 ? 12 B 1
+93 C C . ARG A 1 12 ? 216.618 189.238 167.57 1 15.8 ? 12 B 1
+94 O O . ARG A 1 12 ? 216.53 190.402 167.971 1 15.8 ? 12 B 1
+95 C CB . ARG A 1 12 ? 217.777 187.707 169.179 1 15.8 ? 12 B 1
+96 C CG . ARG A 1 12 ? 218.389 188.852 169.972 1 15.8 ? 12 B 1
+97 C CD . ARG A 1 12 ? 219.609 188.439 170.782 1 15.8 ? 12 B 1
+98 N NE . ARG A 1 12 ? 220.738 188.054 169.945 1 15.8 ? 12 B 1
+99 C CZ . ARG A 1 12 ? 221.462 186.958 170.124 1 15.8 ? 12 B 1
+100 N NH1 . ARG A 1 12 ? 221.204 186.114 171.109 1 15.8 ? 12 B 1
+101 N NH2 . ARG A 1 12 ? 222.476 186.708 169.301 1 15.8 ? 12 B 1
+102 N N . HIS A 1 13 ? 216.852 188.938 166.302 1 13.93 ? 13 B 1
+103 C CA . HIS A 1 13 ? 216.986 189.926 165.243 1 13.93 ? 13 B 1
+104 C C . HIS A 1 13 ? 216.01 189.589 164.133 1 13.93 ? 13 B 1
+105 O O . HIS A 1 13 ? 215.612 188.431 163.972 1 13.93 ? 13 B 1
+106 C CB . HIS A 1 13 ? 218.422 189.947 164.694 1 13.93 ? 13 B 1
+107 C CG . HIS A 1 13 ? 219.467 190.139 165.746 1 13.93 ? 13 B 1
+108 N ND1 . HIS A 1 13 ? 219.637 191.33 166.417 1 13.93 ? 13 B 1
+109 C CD2 . HIS A 1 13 ? 220.4 189.291 166.24 1 13.93 ? 13 B 1
+110 C CE1 . HIS A 1 13 ? 220.629 191.207 167.281 1 13.93 ? 13 B 1
+111 N NE2 . HIS A 1 13 ? 221.109 189.98 167.193 1 13.93 ? 13 B 1
+112 N N . PRO A 1 14 ? 215.587 190.581 163.352 1 13.43 ? 14 B 1
+113 C CA . PRO A 1 14 ? 214.778 190.276 162.171 1 13.43 ? 14 B 1
+114 C C . PRO A 1 14 ? 215.551 189.391 161.208 1 13.43 ? 14 B 1
+115 O O . PRO A 1 14 ? 216.759 189.547 161.017 1 13.43 ? 14 B 1
+116 C CB . PRO A 1 14 ? 214.498 191.656 161.567 1 13.43 ? 14 B 1
+117 C CG . PRO A 1 14 ? 215.62 192.504 162.049 1 13.43 ? 14 B 1
+118 C CD . PRO A 1 14 ? 215.902 192.016 163.44 1 13.43 ? 14 B 1
+119 N N . ALA A 1 15 ? 214.836 188.441 160.608 1 24.69 ? 15 B 1
+120 C CA . ALA A 1 15 ? 215.481 187.439 159.772 1 24.69 ? 15 B 1
+121 C C . ALA A 1 15 ? 216.136 188.081 158.557 1 24.69 ? 15 B 1
+122 O O . ALA A 1 15 ? 215.539 188.918 157.876 1 24.69 ? 15 B 1
+123 C CB . ALA A 1 15 ? 214.465 186.388 159.328 1 24.69 ? 15 B 1
+124 N N . GLU A 1 16 ? 217.375 187.681 158.294 1 38.55 ? 16 B 1
+125 C CA . GLU A 1 16 ? 218.121 188.122 157.128 1 38.55 ? 16 B 1
+126 C C . GLU A 1 16 ? 218.927 186.95 156.592 1 38.55 ? 16 B 1
+127 O O . GLU A 1 16 ? 219.308 186.054 157.349 1 38.55 ? 16 B 1
+128 C CB . GLU A 1 16 ? 219.049 189.294 157.468 1 38.55 ? 16 B 1
+129 N N . ASN A 1 17 ? 219.193 186.963 155.291 1 39.59 ? 17 B 1
+130 C CA . ASN A 1 17 ? 219.866 185.84 154.653 1 39.59 ? 17 B 1
+131 C C . ASN A 1 17 ? 221.291 185.689 155.166 1 39.59 ? 17 B 1
+132 O O . ASN A 1 17 ? 222.033 186.67 155.269 1 39.59 ? 17 B 1
+133 C CB . ASN A 1 17 ? 219.865 186.029 153.135 1 39.59 ? 17 B 1
+134 C CG . ASN A 1 17 ? 219.759 184.717 152.384 1 39.59 ? 17 B 1
+135 O OD1 . ASN A 1 17 ? 220.103 183.659 152.909 1 39.59 ? 17 B 1
+136 N ND2 . ASN A 1 17 ? 219.28 184.781 151.147 1 39.59 ? 17 B 1
+137 N N . GLY A 1 18 ? 221.664 184.453 155.491 1 38.45 ? 18 B 1
+138 C CA . GLY A 1 18 ? 223.028 184.121 155.858 1 38.45 ? 18 B 1
+139 C C . GLY A 1 18 ? 223.574 184.846 157.071 1 38.45 ? 18 B 1
+140 O O . GLY A 1 18 ? 224.704 185.342 157.042 1 38.45 ? 18 B 1
+141 N N . LYS A 1 19 ? 222.791 184.917 158.144 1 32.13 ? 19 B 1
+142 C CA . LYS A 1 19 ? 223.216 185.571 159.372 1 32.13 ? 19 B 1
+143 C C . LYS A 1 19 ? 222.695 184.794 160.573 1 32.13 ? 19 B 1
+144 O O . LYS A 1 19 ? 221.51 184.458 160.639 1 32.13 ? 19 B 1
+145 C CB . LYS A 1 19 ? 222.73 187.025 159.412 1 32.13 ? 19 B 1
+146 C CG . LYS A 1 19 ? 223.185 187.812 160.624 1 32.13 ? 19 B 1
+147 C CD . LYS A 1 19 ? 222.696 189.248 160.547 1 32.13 ? 19 B 1
+148 C CE . LYS A 1 19 ? 223.124 190.041 161.766 1 32.13 ? 19 B 1
+149 N NZ . LYS A 1 19 ? 222.644 191.44 161.687 1 32.13 ? 19 B 1
+150 N N . SER A 1 20 ? 223.588 184.51 161.519 1 23.84 ? 20 B 1
+151 C CA . SER A 1 20 ? 223.222 183.735 162.699 1 23.84 ? 20 B 1
+152 C C . SER A 1 20 ? 222.23 184.505 163.56 1 23.84 ? 20 B 1
+153 O O . SER A 1 20 ? 222.283 185.735 163.64 1 23.84 ? 20 B 1
+154 C CB . SER A 1 20 ? 224.472 183.394 163.509 1 23.84 ? 20 B 1
+155 O OG . SER A 1 20 ? 225.056 184.564 164.053 1 23.84 ? 20 B 1
+156 N N . ASN A 1 21 ? 221.323 183.775 164.203 1 18.36 ? 21 B 1
+157 C CA . ASN A 1 21 ? 220.256 184.393 164.972 1 18.36 ? 21 B 1
+158 C C . ASN A 1 21 ? 219.738 183.364 165.969 1 18.36 ? 21 B 1
+159 O O . ASN A 1 21 ? 220.087 182.183 165.906 1 18.36 ? 21 B 1
+160 C CB . ASN A 1 21 ? 219.176 184.92 164.026 1 18.36 ? 21 B 1
+161 C CG . ASN A 1 21 ? 218.141 185.759 164.725 1 18.36 ? 21 B 1
+162 O OD1 . ASN A 1 21 ? 218.184 185.942 165.94 1 18.36 ? 21 B 1
+163 N ND2 . ASN A 1 21 ? 217.233 186.331 163.947 1 18.36 ? 21 B 1
+164 N N . PHE A 1 22 ? 218.901 183.815 166.899 1 12.85 ? 22 B 1
+165 C CA . PHE A 1 22 ? 218.52 183.018 168.059 1 12.85 ? 22 B 1
+166 C C . PHE A 1 22 ? 217.013 182.821 168.059 1 12.85 ? 22 B 1
+167 O O . PHE A 1 22 ? 216.268 183.736 168.421 1 12.85 ? 22 B 1
+168 C CB . PHE A 1 22 ? 218.972 183.708 169.347 1 12.85 ? 22 B 1
+169 C CG . PHE A 1 22 ? 220.355 183.33 169.781 1 12.85 ? 22 B 1
+170 C CD1 . PHE A 1 22 ? 221.453 183.723 169.037 1 12.85 ? 22 B 1
+171 C CD2 . PHE A 1 22 ? 220.563 182.607 170.939 1 12.85 ? 22 B 1
+172 C CE1 . PHE A 1 22 ? 222.732 183.387 169.431 1 12.85 ? 22 B 1
+173 C CE2 . PHE A 1 22 ? 221.841 182.267 171.339 1 12.85 ? 22 B 1
+174 C CZ . PHE A 1 22 ? 222.926 182.659 170.583 1 12.85 ? 22 B 1
+175 N N . LEU A 1 23 ? 216.564 181.626 167.67 1 9.28 ? 23 B 1
+176 C CA . LEU A 1 23 ? 215.134 181.322 167.583 1 9.28 ? 23 B 1
+177 C C . LEU A 1 23 ? 214.573 181.104 168.989 1 9.28 ? 23 B 1
+178 O O . LEU A 1 23 ? 214.317 179.986 169.438 1 9.28 ? 23 B 1
+179 C CB . LEU A 1 23 ? 214.902 180.109 166.695 1 9.28 ? 23 B 1
+180 C CG . LEU A 1 23 ? 213.456 179.709 166.423 1 9.28 ? 23 B 1
+181 C CD1 . LEU A 1 23 ? 212.869 180.597 165.35 1 9.28 ? 23 B 1
+182 C CD2 . LEU A 1 23 ? 213.395 178.257 165.997 1 9.28 ? 23 B 1
+183 N N . ASN A 1 24 ? 214.378 182.215 169.691 1 9.04 ? 24 B 1
+184 C CA . ASN A 1 24 ? 213.908 182.158 171.066 1 9.04 ? 24 B 1
+185 C C . ASN A 1 24 ? 212.435 181.78 171.125 1 9.04 ? 24 B 1
+186 O O . ASN A 1 24 ? 211.57 182.64 170.941 1 9.04 ? 24 B 1
+187 C CB . ASN A 1 24 ? 214.125 183.504 171.758 1 9.04 ? 24 B 1
+188 C CG . ASN A 1 24 ? 215.407 184.186 171.326 1 9.04 ? 24 B 1
+189 O OD1 . ASN A 1 24 ? 216.504 183.696 171.583 1 9.04 ? 24 B 1
+190 N ND2 . ASN A 1 24 ? 215.273 185.334 170.675 1 9.04 ? 24 B 1
+191 N N . CYS A 1 25 ? 212.129 180.512 171.392 1 9.19 ? 25 B 1
+192 C CA . CYS A 1 25 ? 210.741 180.095 171.589 1 9.19 ? 25 B 1
+193 C C . CYS A 1 25 ? 210.363 180.471 173.014 1 9.19 ? 25 B 1
+194 O O . CYS A 1 25 ? 210.851 179.893 173.985 1 9.19 ? 25 B 1
+195 C CB . CYS A 1 25 ? 210.562 178.605 171.328 1 9.19 ? 25 B 1
+196 S SG . CYS A 1 25 ? 208.836 178.062 171.446 1 9.19 ? 25 B 1
+197 N N . TYR A 1 26 ? 209.489 181.465 173.137 1 6.75 ? 26 B 1
+198 C CA . TYR A 1 26 ? 209.124 182.042 174.428 1 6.75 ? 26 B 1
+199 C C . TYR A 1 26 ? 207.796 181.453 174.878 1 6.75 ? 26 B 1
+200 O O . TYR A 1 26 ? 206.731 181.903 174.455 1 6.75 ? 26 B 1
+201 C CB . TYR A 1 26 ? 209.036 183.558 174.323 1 6.75 ? 26 B 1
+202 C CG . TYR A 1 26 ? 208.59 184.243 175.591 1 6.75 ? 26 B 1
+203 C CD1 . TYR A 1 26 ? 209.348 184.172 176.748 1 6.75 ? 26 B 1
+204 C CD2 . TYR A 1 26 ? 207.403 184.955 175.633 1 6.75 ? 26 B 1
+205 C CE1 . TYR A 1 26 ? 208.942 184.8 177.907 1 6.75 ? 26 B 1
+206 C CE2 . TYR A 1 26 ? 206.987 185.583 176.786 1 6.75 ? 26 B 1
+207 C CZ . TYR A 1 26 ? 207.76 185.502 177.919 1 6.75 ? 26 B 1
+208 O OH . TYR A 1 26 ? 207.347 186.127 179.071 1 6.75 ? 26 B 1
+209 N N . VAL A 1 27 ? 207.848 180.451 175.744 1 11.51 ? 27 B 1
+210 C CA . VAL A 1 27 ? 206.627 179.847 176.259 1 11.51 ? 27 B 1
+211 C C . VAL A 1 27 ? 206.27 180.515 177.575 1 11.51 ? 27 B 1
+212 O O . VAL A 1 27 ? 207.115 180.648 178.462 1 11.51 ? 27 B 1
+213 C CB . VAL A 1 27 ? 206.809 178.331 176.427 1 11.51 ? 27 B 1
+214 C CG1 . VAL A 1 27 ? 205.512 177.695 176.878 1 11.51 ? 27 B 1
+215 C CG2 . VAL A 1 27 ? 207.281 177.723 175.126 1 11.51 ? 27 B 1
+216 N N . SER A 1 28 ? 205.022 180.948 177.715 1 17.34 ? 28 B 1
+217 C CA . SER A 1 28 ? 204.683 181.75 178.88 1 17.34 ? 28 B 1
+218 C C . SER A 1 28 ? 203.235 181.52 179.272 1 17.34 ? 28 B 1
+219 O O . SER A 1 28 ? 202.415 181.092 178.457 1 17.34 ? 28 B 1
+220 C CB . SER A 1 28 ? 204.916 183.238 178.613 1 17.34 ? 28 B 1
+221 O OG . SER A 1 28 ? 204.084 183.697 177.562 1 17.34 ? 28 B 1
+222 N N . GLY A 1 29 ? 202.934 181.822 180.532 1 63.24 ? 29 B 1
+223 C CA . GLY A 1 29 ? 201.579 181.775 181.032 1 63.24 ? 29 B 1
+224 C C . GLY A 1 29 ? 201.071 180.411 181.434 1 63.24 ? 29 B 1
+225 O O . GLY A 1 29 ? 199.899 180.296 181.806 1 63.24 ? 29 B 1
+226 N N . PHE A 1 30 ? 201.9 179.373 181.379 1 13.25 ? 30 B 1
+227 C CA . PHE A 1 30 ? 201.382 178.045 181.656 1 13.25 ? 30 B 1
+228 C C . PHE A 1 30 ? 201.408 177.748 183.15 1 13.25 ? 30 B 1
+229 O O . PHE A 1 30 ? 202.023 178.461 183.945 1 13.25 ? 30 B 1
+230 C CB . PHE A 1 30 ? 202.167 176.976 180.896 1 13.25 ? 30 B 1
+231 C CG . PHE A 1 30 ? 203.645 176.997 181.147 1 13.25 ? 30 B 1
+232 C CD1 . PHE A 1 30 ? 204.488 177.72 180.331 1 13.25 ? 30 B 1
+233 C CD2 . PHE A 1 30 ? 204.193 176.256 182.174 1 13.25 ? 30 B 1
+234 C CE1 . PHE A 1 30 ? 205.845 177.725 180.552 1 13.25 ? 30 B 1
+235 C CE2 . PHE A 1 30 ? 205.55 176.257 182.397 1 13.25 ? 30 B 1
+236 C CZ . PHE A 1 30 ? 206.376 176.992 181.586 1 13.25 ? 30 B 1
+237 N N . HIS A 1 31 ? 200.715 176.678 183.521 1 11.8 ? 31 B 1
+238 C CA . HIS A 1 31 ? 200.607 176.209 184.894 1 11.8 ? 31 B 1
+239 C C . HIS A 1 31 ? 199.983 174.819 184.89 1 11.8 ? 31 B 1
+240 O O . HIS A 1 31 ? 198.945 174.617 184.248 1 11.8 ? 31 B 1
+241 C CB . HIS A 1 31 ? 199.762 177.179 185.721 1 11.8 ? 31 B 1
+242 C CG . HIS A 1 31 ? 199.972 177.065 187.197 1 11.8 ? 31 B 1
+243 N ND1 . HIS A 1 31 ? 200.699 177.986 187.918 1 11.8 ? 31 B 1
+244 C CD2 . HIS A 1 31 ? 199.536 176.147 188.09 1 11.8 ? 31 B 1
+245 C CE1 . HIS A 1 31 ? 200.712 177.635 189.191 1 11.8 ? 31 B 1
+246 N NE2 . HIS A 1 31 ? 200.011 176.523 189.323 1 11.8 ? 31 B 1
+247 N N . PRO A 1 32 ? 200.562 173.832 185.591 1 14.55 ? 32 B 1
+248 C CA . PRO A 1 32 ? 201.803 173.827 186.375 1 14.55 ? 32 B 1
+249 C C . PRO A 1 32 ? 203.071 173.743 185.526 1 14.55 ? 32 B 1
+250 O O . PRO A 1 32 ? 203.042 174.044 184.335 1 14.55 ? 32 B 1
+251 C CB . PRO A 1 32 ? 201.663 172.567 187.241 1 14.55 ? 32 B 1
+252 C CG . PRO A 1 32 ? 200.211 172.194 187.167 1 14.55 ? 32 B 1
+253 C CD . PRO A 1 32 ? 199.803 172.59 185.794 1 14.55 ? 32 B 1
+254 N N . SER A 1 33 ? 204.174 173.327 186.152 1 17.49 ? 33 B 1
+255 C CA . SER A 1 33 ? 205.469 173.291 185.484 1 17.49 ? 33 B 1
+256 C C . SER A 1 33 ? 205.631 172.117 184.532 1 17.49 ? 33 B 1
+257 O O . SER A 1 33 ? 206.597 172.1 183.761 1 17.49 ? 33 B 1
+258 C CB . SER A 1 33 ? 206.596 173.239 186.515 1 17.49 ? 33 B 1
+259 O OG . SER A 1 33 ? 206.531 172.039 187.266 1 17.49 ? 33 B 1
+260 N N . ASP A 1 34 ? 204.732 171.137 184.567 1 28.26 ? 34 B 1
+261 C CA . ASP A 1 34 ? 204.88 169.975 183.701 1 28.26 ? 34 B 1
+262 C C . ASP A 1 34 ? 204.731 170.397 182.247 1 28.26 ? 34 B 1
+263 O O . ASP A 1 34 ? 203.618 170.635 181.769 1 28.26 ? 34 B 1
+264 C CB . ASP A 1 34 ? 203.846 168.911 184.061 1 28.26 ? 34 B 1
+265 C CG . ASP A 1 34 ? 204.024 168.38 185.469 1 28.26 ? 34 B 1
+266 O OD1 . ASP A 1 34 ? 205.086 168.636 186.074 1 28.26 ? 34 B 1
+267 O OD2 . ASP A 1 34 ? 203.1 167.707 185.971 1 28.26 ? 34 B 1
+268 N N . ILE A 1 35 ? 205.857 170.48 181.546 1 20.84 ? 35 B 1
+269 C CA . ILE A 1 35 ? 205.895 171.047 180.205 1 20.84 ? 35 B 1
+270 C C . ILE A 1 35 ? 207.022 170.39 179.424 1 20.84 ? 35 B 1
+271 O O . ILE A 1 35 ? 208.025 169.961 180.006 1 20.84 ? 35 B 1
+272 C CB . ILE A 1 35 ? 206.08 172.574 180.267 1 20.84 ? 35 B 1
+273 C CG1 . ILE A 1 35 ? 205.973 173.194 178.877 1 20.84 ? 35 B 1
+274 C CG2 . ILE A 1 35 ? 207.412 172.93 180.906 1 20.84 ? 35 B 1
+275 C CD1 . ILE A 1 35 ? 205.836 174.68 178.905 1 20.84 ? 35 B 1
+276 N N . GLU A 1 36 ? 206.867 170.284 178.104 1 18.71 ? 36 B 1
+277 C CA . GLU A 1 36 ? 207.995 169.909 177.245 1 18.71 ? 36 B 1
+278 C C . GLU A 1 36 ? 207.881 170.73 175.964 1 18.71 ? 36 B 1
+279 O O . GLU A 1 36 ? 206.88 170.651 175.245 1 18.71 ? 36 B 1
+280 C CB . GLU A 1 36 ? 208.042 168.413 176.965 1 18.71 ? 36 B 1
+281 N N . VAL A 1 37 ? 208.912 171.525 175.703 1 17.49 ? 37 B 1
+282 C CA . VAL A 1 37 ? 208.959 172.443 174.573 1 17.49 ? 37 B 1
+283 C C . VAL A 1 37 ? 210.153 172.051 173.715 1 17.49 ? 37 B 1
+284 O O . VAL A 1 37 ? 211.297 172.074 174.18 1 17.49 ? 37 B 1
+285 C CB . VAL A 1 37 ? 209.066 173.898 175.042 1 17.49 ? 37 B 1
+286 C CG1 . VAL A 1 37 ? 209.218 174.827 173.856 1 17.49 ? 37 B 1
+287 C CG2 . VAL A 1 37 ? 207.859 174.271 175.884 1 17.49 ? 37 B 1
+288 N N . ASP A 1 38 ? 209.897 171.693 172.461 1 20.5 ? 38 B 1
+289 C CA . ASP A 1 38 ? 210.941 171.227 171.561 1 20.5 ? 38 B 1
+290 C C . ASP A 1 38 ? 210.893 172.026 170.27 1 20.5 ? 38 B 1
+291 O O . ASP A 1 38 ? 209.825 172.189 169.674 1 20.5 ? 38 B 1
+292 C CB . ASP A 1 38 ? 210.783 169.735 171.267 1 20.5 ? 38 B 1
+293 C CG . ASP A 1 38 ? 211.071 168.872 172.478 1 20.5 ? 38 B 1
+294 O OD1 . ASP A 1 38 ? 211.883 169.294 173.329 1 20.5 ? 38 B 1
+295 O OD2 . ASP A 1 38 ? 210.491 167.77 172.577 1 20.5 ? 38 B 1
+296 N N . LEU A 1 39 ? 212.045 172.525 169.841 1 15.32 ? 39 B 1
+297 C CA . LEU A 1 39 ? 212.099 173.216 168.567 1 15.32 ? 39 B 1
+298 C C . LEU A 1 39 ? 212.316 172.216 167.436 1 15.32 ? 39 B 1
+299 O O . LEU A 1 39 ? 212.984 171.191 167.595 1 15.32 ? 39 B 1
+300 C CB . LEU A 1 39 ? 213.202 174.272 168.577 1 15.32 ? 39 B 1
+301 C CG . LEU A 1 39 ? 212.814 175.53 169.352 1 15.32 ? 39 B 1
+302 C CD1 . LEU A 1 39 ? 214.031 176.367 169.685 1 15.32 ? 39 B 1
+303 C CD2 . LEU A 1 39 ? 211.796 176.341 168.578 1 15.32 ? 39 B 1
+304 N N . LEU A 1 40 ? 211.734 172.523 166.281 1 19.15 ? 40 B 1
+305 C CA . LEU A 1 40 ? 211.767 171.639 165.131 1 19.15 ? 40 B 1
+306 C C . LEU A 1 40 ? 212.326 172.376 163.925 1 19.15 ? 40 B 1
+307 O O . LEU A 1 40 ? 211.909 173.493 163.602 1 19.15 ? 40 B 1
+308 C CB . LEU A 1 40 ? 210.373 171.089 164.792 1 19.15 ? 40 B 1
+309 C CG . LEU A 1 40 ? 209.791 169.952 165.633 1 19.15 ? 40 B 1
+310 C CD1 . LEU A 1 40 ? 209.395 170.425 167.015 1 19.15 ? 40 B 1
+311 C CD2 . LEU A 1 40 ? 208.596 169.339 164.922 1 19.15 ? 40 B 1
+312 N N . LYS A 1 41 ? 213.274 171.724 163.258 1 24.01 ? 41 B 1
+313 C CA . LYS A 1 41 ? 213.827 172.211 162.001 1 24.01 ? 41 B 1
+314 C C . LYS A 1 41 ? 213.208 171.397 160.879 1 24.01 ? 41 B 1
+315 O O . LYS A 1 41 ? 213.692 170.305 160.565 1 24.01 ? 41 B 1
+316 C CB . LYS A 1 41 ? 215.353 172.089 161.976 1 24.01 ? 41 B 1
+317 C CG . LYS A 1 41 ? 215.997 172.648 160.718 1 24.01 ? 41 B 1
+318 C CD . LYS A 1 41 ? 217.51 172.545 160.768 1 24.01 ? 41 B 1
+319 C CE . LYS A 1 41 ? 218.138 173.084 159.495 1 24.01 ? 41 B 1
+320 N NZ . LYS A 1 41 ? 219.621 172.991 159.527 1 24.01 ? 41 B 1
+321 N N . ASN A 1 42 ? 212.137 171.925 160.287 1 26.95 ? 42 B 1
+322 C CA . ASN A 1 42 ? 211.403 171.238 159.226 1 26.95 ? 42 B 1
+323 C C . ASN A 1 42 ? 210.925 169.861 159.69 1 26.95 ? 42 B 1
+324 O O . ASN A 1 42 ? 211.167 168.845 159.034 1 26.95 ? 42 B 1
+325 C CB . ASN A 1 42 ? 212.251 171.129 157.954 1 26.95 ? 42 B 1
+326 C CG . ASN A 1 42 ? 211.463 170.619 156.757 1 26.95 ? 42 B 1
+327 O OD1 . ASN A 1 42 ? 210.276 170.311 156.859 1 26.95 ? 42 B 1
+328 N ND2 . ASN A 1 42 ? 212.13 170.523 155.614 1 26.95 ? 42 B 1
+329 N N . GLY A 1 43 ? 210.265 169.815 160.846 1 30.97 ? 43 B 1
+330 C CA . GLY A 1 43 ? 209.599 168.613 161.3 1 30.97 ? 43 B 1
+331 C C . GLY A 1 43 ? 210.36 167.75 162.283 1 30.97 ? 43 B 1
+332 O O . GLY A 1 43 ? 209.736 166.92 162.957 1 30.97 ? 43 B 1
+333 N N . GLU A 1 44 ? 211.676 167.903 162.397 1 31.26 ? 44 B 1
+334 C CA . GLU A 1 44 ? 212.453 167.058 163.294 1 31.26 ? 44 B 1
+335 C C . GLU A 1 44 ? 212.992 167.858 164.472 1 31.26 ? 44 B 1
+336 O O . GLU A 1 44 ? 213.342 169.033 164.337 1 31.26 ? 44 B 1
+337 C CB . GLU A 1 44 ? 213.606 166.394 162.542 1 31.26 ? 44 B 1
+338 C CG . GLU A 1 44 ? 213.163 165.341 161.544 1 31.26 ? 44 B 1
+339 C CD . GLU A 1 44 ? 214.33 164.687 160.836 1 31.26 ? 44 B 1
+340 O OE1 . GLU A 1 44 ? 215.468 165.177 160.987 1 31.26 ? 44 B 1
+341 O OE2 . GLU A 1 44 ? 214.11 163.681 160.129 1 31.26 ? 44 B 1
+342 N N . ARG A 1 45 ? 213.069 167.205 165.629 1 24.98 ? 45 B 1
+343 C CA . ARG A 1 45 ? 213.499 167.873 166.85 1 24.98 ? 45 B 1
+344 C C . ARG A 1 45 ? 214.955 168.311 166.755 1 24.98 ? 45 B 1
+345 O O . ARG A 1 45 ? 215.811 167.576 166.255 1 24.98 ? 45 B 1
+346 C CB . ARG A 1 45 ? 213.313 166.946 168.049 1 24.98 ? 45 B 1
+347 C CG . ARG A 1 45 ? 213.244 167.663 169.383 1 24.98 ? 45 B 1
+348 C CD . ARG A 1 45 ? 213.664 166.75 170.522 1 24.98 ? 45 B 1
+349 N NE . ARG A 1 45 ? 213.645 167.442 171.805 1 24.98 ? 45 B 1
+350 C CZ . ARG A 1 45 ? 214.617 168.228 172.248 1 24.98 ? 45 B 1
+351 N NH1 . ARG A 1 45 ? 215.714 168.437 171.539 1 24.98 ? 45 B 1
+352 N NH2 . ARG A 1 45 ? 214.483 168.821 173.43 1 24.98 ? 45 B 1
+353 N N . ILE A 1 46 ? 215.232 169.518 167.239 1 21.87 ? 46 B 1
+354 C CA . ILE A 1 46 ? 216.597 170.035 167.289 1 21.87 ? 46 B 1
+355 C C . ILE A 1 46 ? 217.267 169.51 168.552 1 21.87 ? 46 B 1
+356 O O . ILE A 1 46 ? 216.668 169.512 169.632 1 21.87 ? 46 B 1
+357 C CB . ILE A 1 46 ? 216.612 171.57 167.249 1 21.87 ? 46 B 1
+358 C CG1 . ILE A 1 46 ? 216.144 172.075 165.885 1 21.87 ? 46 B 1
+359 C CG2 . ILE A 1 46 ? 218.003 172.104 167.547 1 21.87 ? 46 B 1
+360 C CD1 . ILE A 1 46 ? 216.39 173.553 165.665 1 21.87 ? 46 B 1
+361 N N . GLU A 1 47 ? 218.514 169.055 168.418 1 27.81 ? 47 B 1
+362 C CA . GLU A 1 47 ? 219.217 168.467 169.554 1 27.81 ? 47 B 1
+363 C C . GLU A 1 47 ? 219.723 169.54 170.512 1 27.81 ? 47 B 1
+364 O O . GLU A 1 47 ? 219.401 169.522 171.706 1 27.81 ? 47 B 1
+365 C CB . GLU A 1 47 ? 220.373 167.599 169.059 1 27.81 ? 47 B 1
+366 N N . LYS A 1 48 ? 220.52 170.484 170.008 1 17.71 ? 48 B 1
+367 C CA . LYS A 1 48 ? 221.18 171.48 170.855 1 17.71 ? 48 B 1
+368 C C . LYS A 1 48 ? 220.257 172.681 171.037 1 17.71 ? 48 B 1
+369 O O . LYS A 1 48 ? 220.42 173.736 170.421 1 17.71 ? 48 B 1
+370 C CB . LYS A 1 48 ? 222.518 171.889 170.253 1 17.71 ? 48 B 1
+371 N N . VAL A 1 49 ? 219.272 172.513 171.915 1 3.9 ? 49 B 1
+372 C CA . VAL A 1 49 ? 218.325 173.569 172.256 1 3.9 ? 49 B 1
+373 C C . VAL A 1 49 ? 218.516 173.941 173.727 1 3.9 ? 49 B 1
+374 O O . VAL A 1 49 ? 217.958 173.306 174.631 1 3.9 ? 49 B 1
+375 C CB . VAL A 1 49 ? 216.874 173.176 171.914 1 3.9 ? 49 B 1
+376 C CG1 . VAL A 1 49 ? 216.364 171.984 172.725 1 3.9 ? 49 B 1
+377 C CG2 . VAL A 1 49 ? 215.954 174.366 172.104 1 3.9 ? 49 B 1
+378 N N . GLU A 1 50 ? 219.332 174.961 173.968 1 2.36 ? 50 B 1
+379 C CA . GLU A 1 50 ? 219.555 175.434 175.326 1 2.36 ? 50 B 1
+380 C C . GLU A 1 50 ? 218.322 176.158 175.843 1 2.36 ? 50 B 1
+381 O O . GLU A 1 50 ? 217.78 177.045 175.18 1 2.36 ? 50 B 1
+382 C CB . GLU A 1 50 ? 220.764 176.365 175.372 1 2.36 ? 50 B 1
+383 C CG . GLU A 1 50 ? 222.094 175.664 175.179 1 2.36 ? 50 B 1
+384 C CD . GLU A 1 50 ? 223.259 176.632 175.148 1 2.36 ? 50 B 1
+385 O OE1 . GLU A 1 50 ? 223.015 177.854 175.057 1 2.36 ? 50 B 1
+386 O OE2 . GLU A 1 50 ? 224.417 176.171 175.222 1 2.36 ? 50 B 1
+387 N N . HIS A 1 51 ? 217.879 175.783 177.037 1 3.1 ? 51 B 1
+388 C CA . HIS A 1 51 ? 216.725 176.403 177.667 1 3.1 ? 51 B 1
+389 C C . HIS A 1 51 ? 217.181 177.296 178.809 1 3.1 ? 51 B 1
+390 O O . HIS A 1 51 ? 218.314 177.181 179.285 1 3.1 ? 51 B 1
+391 C CB . HIS A 1 51 ? 215.74 175.352 178.185 1 3.1 ? 51 B 1
+392 C CG . HIS A 1 51 ? 216.249 174.565 179.351 1 3.1 ? 51 B 1
+393 N ND1 . HIS A 1 51 ? 217.155 173.536 179.216 1 3.1 ? 51 B 1
+394 C CD2 . HIS A 1 51 ? 215.969 174.649 180.672 1 3.1 ? 51 B 1
+395 C CE1 . HIS A 1 51 ? 217.418 173.024 180.406 1 3.1 ? 51 B 1
+396 N NE2 . HIS A 1 51 ? 216.71 173.681 181.306 1 3.1 ? 51 B 1
+397 N N . SER A 1 52 ? 216.302 178.193 179.234 1 2.75 ? 52 B 1
+398 C CA . SER A 1 52 ? 216.574 179.039 180.381 1 2.75 ? 52 B 1
+399 C C . SER A 1 52 ? 215.855 178.501 181.614 1 2.75 ? 52 B 1
+400 O O . SER A 1 52 ? 215.076 177.548 181.548 1 2.75 ? 52 B 1
+401 C CB . SER A 1 52 ? 216.158 180.48 180.095 1 2.75 ? 52 B 1
+402 O OG . SER A 1 52 ? 216.964 181.041 179.074 1 2.75 ? 52 B 1
+403 N N . ASP A 1 53 ? 216.132 179.124 182.754 1 3.89 ? 53 B 1
+404 C CA . ASP A 1 53 ? 215.575 178.664 184.014 1 3.89 ? 53 B 1
+405 C C . ASP A 1 53 ? 214.063 178.861 184.038 1 3.89 ? 53 B 1
+406 O O . ASP A 1 53 ? 213.505 179.703 183.33 1 3.89 ? 53 B 1
+407 C CB . ASP A 1 53 ? 216.22 179.402 185.186 1 3.89 ? 53 B 1
+408 N N . LEU A 1 54 ? 213.399 178.072 184.877 1 3.95 ? 54 B 1
+409 C CA . LEU A 1 54 ? 211.944 178.119 184.994 1 3.95 ? 54 B 1
+410 C C . LEU A 1 54 ? 211.563 179.404 185.71 1 3.95 ? 54 B 1
+411 O O . LEU A 1 54 ? 211.163 179.391 186.875 1 3.95 ? 54 B 1
+412 C CB . LEU A 1 54 ? 211.43 176.894 185.741 1 3.95 ? 54 B 1
+413 C CG . LEU A 1 54 ? 209.915 176.741 185.86 1 3.95 ? 54 B 1
+414 C CD1 . LEU A 1 54 ? 209.307 176.396 184.515 1 3.95 ? 54 B 1
+415 C CD2 . LEU A 1 54 ? 209.568 175.694 186.9 1 3.95 ? 54 B 1
+416 N N . SER A 1 55 ? 211.696 180.525 185.014 1 4.5 ? 55 B 1
+417 C CA . SER A 1 55 ? 211.433 181.821 185.612 1 4.5 ? 55 B 1
+418 C C . SER A 1 55 ? 209.953 181.98 185.933 1 4.5 ? 55 B 1
+419 O O . SER A 1 55 ? 209.079 181.574 185.163 1 4.5 ? 55 B 1
+420 C CB . SER A 1 55 ? 211.896 182.935 184.679 1 4.5 ? 55 B 1
+421 O OG . SER A 1 55 ? 211.51 184.195 185.186 1 4.5 ? 55 B 1
+422 N N . PHE A 1 56 ? 209.68 182.569 187.091 1 5.24 ? 56 B 1
+423 C CA . PHE A 1 56 ? 208.328 182.754 187.593 1 5.24 ? 56 B 1
+424 C C . PHE A 1 56 ? 207.823 184.133 187.194 1 5.24 ? 56 B 1
+425 O O . PHE A 1 56 ? 208.61 184.993 186.791 1 5.24 ? 56 B 1
+426 C CB . PHE A 1 56 ? 208.298 182.603 189.112 1 5.24 ? 56 B 1
+427 C CG . PHE A 1 56 ? 208.833 181.288 189.597 1 5.24 ? 56 B 1
+428 C CD1 . PHE A 1 56 ? 208.18 180.109 189.308 1 5.24 ? 56 B 1
+429 C CD2 . PHE A 1 56 ? 210.005 181.232 190.324 1 5.24 ? 56 B 1
+430 C CE1 . PHE A 1 56 ? 208.676 178.903 189.748 1 5.24 ? 56 B 1
+431 C CE2 . PHE A 1 56 ? 210.506 180.031 190.765 1 5.24 ? 56 B 1
+432 C CZ . PHE A 1 56 ? 209.843 178.864 190.475 1 5.24 ? 56 B 1
+433 N N . SER A 1 57 ? 206.516 184.35 187.314 1 6.32 ? 57 B 1
+434 C CA . SER A 1 57 ? 205.92 185.634 186.986 1 6.32 ? 57 B 1
+435 C C . SER A 1 57 ? 204.963 186.063 188.088 1 6.32 ? 57 B 1
+436 O O . SER A 1 57 ? 204.545 185.253 188.919 1 6.32 ? 57 B 1
+437 C CB . SER A 1 57 ? 205.182 185.575 185.645 1 6.32 ? 57 B 1
+438 O OG . SER A 1 57 ? 204.609 186.828 185.32 1 6.32 ? 57 B 1
+439 N N . LYS A 1 58 ? 204.625 187.354 188.086 1 5.78 ? 58 B 1
+440 C CA . LYS A 1 58 ? 203.813 187.916 189.16 1 5.78 ? 58 B 1
+441 C C . LYS A 1 58 ? 202.4 187.353 189.169 1 5.78 ? 58 B 1
+442 O O . LYS A 1 58 ? 201.779 187.258 190.232 1 5.78 ? 58 B 1
+443 C CB . LYS A 1 58 ? 203.764 189.438 189.039 1 5.78 ? 58 B 1
+444 C CG . LYS A 1 58 ? 203.019 190.12 190.171 1 5.78 ? 58 B 1
+445 C CD . LYS A 1 58 ? 202.897 191.613 189.938 1 5.78 ? 58 B 1
+446 C CE . LYS A 1 58 ? 202.444 192.318 191.201 1 5.78 ? 58 B 1
+447 N NZ . LYS A 1 58 ? 201.287 191.62 191.821 1 5.78 ? 58 B 1
+448 N N . ASP A 1 59 ? 201.873 186.975 188.005 1 6.5 ? 59 B 1
+449 C CA . ASP A 1 59 ? 200.497 186.504 187.899 1 6.5 ? 59 B 1
+450 C C . ASP A 1 59 ? 200.37 184.991 188.056 1 6.5 ? 59 B 1
+451 O O . ASP A 1 59 ? 199.419 184.392 187.537 1 6.5 ? 59 B 1
+452 C CB . ASP A 1 59 ? 199.876 187.009 186.59 1 6.5 ? 59 B 1
+453 C CG . ASP A 1 59 ? 200.596 186.517 185.333 1 6.5 ? 59 B 1
+454 O OD1 . ASP A 1 59 ? 201.632 185.84 185.499 1 6.5 ? 59 B 1
+455 O OD2 . ASP A 1 59 ? 200.177 186.795 184.193 1 6.5 ? 59 B 1
+456 N N . TRP A 1 60 ? 201.297 184.369 188.787 1 5.13 ? 60 B 1
+457 C CA . TRP A 1 60 ? 201.258 182.942 189.108 1 5.13 ? 60 B 1
+458 C C . TRP A 1 60 ? 201.378 182.072 187.865 1 5.13 ? 60 B 1
+459 O O . TRP A 1 60 ? 200.675 181.07 187.724 1 5.13 ? 60 B 1
+460 C CB . TRP A 1 60 ? 199.993 182.576 189.889 1 5.13 ? 60 B 1
+461 C CG . TRP A 1 60 ? 199.812 183.315 191.182 1 5.13 ? 60 B 1
+462 C CD1 . TRP A 1 60 ? 198.632 183.75 191.7 1 5.13 ? 60 B 1
+463 C CD2 . TRP A 1 60 ? 200.826 183.695 192.123 1 5.13 ? 60 B 1
+464 N NE1 . TRP A 1 60 ? 198.843 184.382 192.897 1 5.13 ? 60 B 1
+465 C CE2 . TRP A 1 60 ? 200.182 184.362 193.178 1 5.13 ? 60 B 1
+466 C CE3 . TRP A 1 60 ? 202.213 183.539 192.176 1 5.13 ? 60 B 1
+467 C CZ2 . TRP A 1 60 ? 200.871 184.867 194.268 1 5.13 ? 60 B 1
+468 C CZ3 . TRP A 1 60 ? 202.894 184.045 193.256 1 5.13 ? 60 B 1
+469 C CH2 . TRP A 1 60 ? 202.223 184.699 194.289 1 5.13 ? 60 B 1
+470 N N . SER A 1 61 ? 202.267 182.445 186.953 1 7.75 ? 61 B 1
+471 C CA . SER A 1 61 ? 202.525 181.659 185.76 1 7.75 ? 61 B 1
+472 C C . SER A 1 61 ? 204.018 181.656 185.476 1 7.75 ? 61 B 1
+473 O O . SER A 1 61 ? 204.75 182.57 185.86 1 7.75 ? 61 B 1
+474 C CB . SER A 1 61 ? 201.76 182.199 184.55 1 7.75 ? 61 B 1
+475 O OG . SER A 1 61 ? 202.35 183.394 184.072 1 7.75 ? 61 B 1
+476 N N . PHE A 1 62 ? 204.462 180.618 184.785 1 7.41 ? 62 B 1
+477 C CA . PHE A 1 62 ? 205.872 180.451 184.494 1 7.41 ? 62 B 1
+478 C C . PHE A 1 62 ? 206.18 181.058 183.13 1 7.41 ? 62 B 1
+479 O O . PHE A 1 62 ? 205.28 181.46 182.39 1 7.41 ? 62 B 1
+480 C CB . PHE A 1 62 ? 206.228 178.97 184.534 1 7.41 ? 62 B 1
+481 C CG . PHE A 1 62 ? 205.933 178.32 185.845 1 7.41 ? 62 B 1
+482 C CD1 . PHE A 1 62 ? 205.819 179.072 186.992 1 7.41 ? 62 B 1
+483 C CD2 . PHE A 1 62 ? 205.72 176.96 185.922 1 7.41 ? 62 B 1
+484 C CE1 . PHE A 1 62 ? 205.531 178.477 188.19 1 7.41 ? 62 B 1
+485 C CE2 . PHE A 1 62 ? 205.427 176.363 187.123 1 7.41 ? 62 B 1
+486 C CZ . PHE A 1 62 ? 205.335 177.121 188.258 1 7.41 ? 62 B 1
+487 N N . TYR A 1 63 ? 207.462 181.133 182.786 1 5.76 ? 63 B 1
+488 C CA . TYR A 1 63 ? 207.808 181.413 181.399 1 5.76 ? 63 B 1
+489 C C . TYR A 1 63 ? 209.238 180.975 181.129 1 5.76 ? 63 B 1
+490 O O . TYR A 1 63 ? 210.168 181.393 181.819 1 5.76 ? 63 B 1
+491 C CB . TYR A 1 63 ? 207.598 182.893 181.035 1 5.76 ? 63 B 1
+492 C CG . TYR A 1 63 ? 208.369 183.922 181.826 1 5.76 ? 63 B 1
+493 C CD1 . TYR A 1 63 ? 209.588 184.405 181.374 1 5.76 ? 63 B 1
+494 C CD2 . TYR A 1 63 ? 207.857 184.442 183.004 1 5.76 ? 63 B 1
+495 C CE1 . TYR A 1 63 ? 210.286 185.364 182.084 1 5.76 ? 63 B 1
+496 C CE2 . TYR A 1 63 ? 208.547 185.396 183.722 1 5.76 ? 63 B 1
+497 C CZ . TYR A 1 63 ? 209.761 185.852 183.259 1 5.76 ? 63 B 1
+498 O OH . TYR A 1 63 ? 210.45 186.802 183.974 1 5.76 ? 63 B 1
+499 N N . LEU A 1 64 ? 209.386 180.126 180.116 1 5.45 ? 64 B 1
+500 C CA . LEU A 1 64 ? 210.657 179.57 179.682 1 5.45 ? 64 B 1
+501 C C . LEU A 1 64 ? 211.019 180.186 178.342 1 5.45 ? 64 B 1
+502 O O . LEU A 1 64 ? 210.134 180.613 177.593 1 5.45 ? 64 B 1
+503 C CB . LEU A 1 64 ? 210.568 178.049 179.546 1 5.45 ? 64 B 1
+504 C CG . LEU A 1 64 ? 210.449 177.216 180.819 1 5.45 ? 64 B 1
+505 C CD1 . LEU A 1 64 ? 210.026 175.799 180.485 1 5.45 ? 64 B 1
+506 C CD2 . LEU A 1 64 ? 211.774 177.205 181.54 1 5.45 ? 64 B 1
+507 N N . LEU A 1 65 ? 212.311 180.219 178.036 1 5.24 ? 65 B 1
+508 C CA . LEU A 1 65 ? 212.809 180.784 176.791 1 5.24 ? 65 B 1
+509 C C . LEU A 1 65 ? 213.766 179.789 176.148 1 5.24 ? 65 B 1
+510 O O . LEU A 1 65 ? 214.978 179.856 176.373 1 5.24 ? 65 B 1
+511 C CB . LEU A 1 65 ? 213.51 182.117 177.047 1 5.24 ? 65 B 1
+512 C CG . LEU A 1 65 ? 213.973 182.893 175.82 1 5.24 ? 65 B 1
+513 C CD1 . LEU A 1 65 ? 212.767 183.313 175.014 1 5.24 ? 65 B 1
+514 C CD2 . LEU A 1 65 ? 214.793 184.096 176.23 1 5.24 ? 65 B 1
+515 N N . TYR A 1 66 ? 213.227 178.877 175.345 1 7.42 ? 66 B 1
+516 C CA . TYR A 1 66 ? 214.015 177.834 174.701 1 7.42 ? 66 B 1
+517 C C . TYR A 1 66 ? 214.618 178.399 173.425 1 7.42 ? 66 B 1
+518 O O . TYR A 1 66 ? 213.936 178.477 172.399 1 7.42 ? 66 B 1
+519 C CB . TYR A 1 66 ? 213.152 176.615 174.383 1 7.42 ? 66 B 1
+520 C CG . TYR A 1 66 ? 212.97 175.667 175.539 1 7.42 ? 66 B 1
+521 C CD1 . TYR A 1 66 ? 212.375 176.087 176.717 1 7.42 ? 66 B 1
+522 C CD2 . TYR A 1 66 ? 213.395 174.351 175.453 1 7.42 ? 66 B 1
+523 C CE1 . TYR A 1 66 ? 212.208 175.223 177.778 1 7.42 ? 66 B 1
+524 C CE2 . TYR A 1 66 ? 213.233 173.478 176.507 1 7.42 ? 66 B 1
+525 C CZ . TYR A 1 66 ? 212.64 173.919 177.668 1 7.42 ? 66 B 1
+526 O OH . TYR A 1 66 ? 212.476 173.051 178.723 1 7.42 ? 66 B 1
+527 N N . TYR A 1 67 ? 215.89 178.782 173.48 1 6.62 ? 67 B 1
+528 C CA . TYR A 1 67 ? 216.545 179.442 172.36 1 6.62 ? 67 B 1
+529 C C . TYR A 1 67 ? 217.654 178.567 171.797 1 6.62 ? 67 B 1
+530 O O . TYR A 1 67 ? 218.432 177.98 172.553 1 6.62 ? 67 B 1
+531 C CB . TYR A 1 67 ? 217.1 180.808 172.773 1 6.62 ? 67 B 1
+532 C CG . TYR A 1 67 ? 218.185 180.778 173.825 1 6.62 ? 67 B 1
+533 C CD1 . TYR A 1 67 ? 217.869 180.835 175.173 1 6.62 ? 67 B 1
+534 C CD2 . TYR A 1 67 ? 219.523 180.715 173.469 1 6.62 ? 67 B 1
+535 C CE1 . TYR A 1 67 ? 218.854 180.819 176.138 1 6.62 ? 67 B 1
+536 C CE2 . TYR A 1 67 ? 220.515 180.696 174.425 1 6.62 ? 67 B 1
+537 C CZ . TYR A 1 67 ? 220.176 180.748 175.759 1 6.62 ? 67 B 1
+538 O OH . TYR A 1 67 ? 221.162 180.73 176.719 1 6.62 ? 67 B 1
+539 N N . THR A 1 68 ? 217.721 178.485 170.471 1 8.15 ? 68 B 1
+540 C CA . THR A 1 68 ? 218.8 177.8 169.774 1 8.15 ? 68 B 1
+541 C C . THR A 1 68 ? 219.218 178.628 168.57 1 8.15 ? 68 B 1
+542 O O . THR A 1 68 ? 218.407 179.372 168.011 1 8.15 ? 68 B 1
+543 C CB . THR A 1 68 ? 218.383 176.396 169.333 1 8.15 ? 68 B 1
+544 O OG1 . THR A 1 68 ? 219.534 175.684 168.865 1 8.15 ? 68 B 1
+545 C CG2 . THR A 1 68 ? 217.353 176.466 168.22 1 8.15 ? 68 B 1
+546 N N . GLU A 1 69 ? 220.482 178.506 168.18 1 13.81 ? 69 B 1
+547 C CA . GLU A 1 69 ? 221.008 179.304 167.081 1 13.81 ? 69 B 1
+548 C C . GLU A 1 69 ? 220.627 178.689 165.739 1 13.81 ? 69 B 1
+549 O O . GLU A 1 69 ? 220.544 177.467 165.6 1 13.81 ? 69 B 1
+550 C CB . GLU A 1 69 ? 222.527 179.415 167.201 1 13.81 ? 69 B 1
+551 C CG . GLU A 1 69 ? 223.198 180.196 166.094 1 13.81 ? 69 B 1
+552 C CD . GLU A 1 69 ? 224.605 180.616 166.462 1 13.81 ? 69 B 1
+553 O OE1 . GLU A 1 69 ? 224.966 180.515 167.654 1 13.81 ? 69 B 1
+554 O OE2 . GLU A 1 69 ? 225.352 181.051 165.562 1 13.81 ? 69 B 1
+555 N N . PHE A 1 70 ? 220.39 179.548 164.75 1 17.18 ? 70 B 1
+556 C CA . PHE A 1 70 ? 220.077 179.098 163.402 1 17.18 ? 70 B 1
+557 C C . PHE A 1 70 ? 220.39 180.223 162.427 1 17.18 ? 70 B 1
+558 O O . PHE A 1 70 ? 220.49 181.39 162.81 1 17.18 ? 70 B 1
+559 C CB . PHE A 1 70 ? 218.611 178.657 163.287 1 17.18 ? 70 B 1
+560 C CG . PHE A 1 70 ? 217.638 179.795 163.164 1 17.18 ? 70 B 1
+561 C CD1 . PHE A 1 70 ? 217.332 180.586 164.253 1 17.18 ? 70 B 1
+562 C CD2 . PHE A 1 70 ? 216.968 180.02 161.978 1 17.18 ? 70 B 1
+563 C CE1 . PHE A 1 70 ? 216.428 181.624 164.142 1 17.18 ? 70 B 1
+564 C CE2 . PHE A 1 70 ? 216.051 181.045 161.868 1 17.18 ? 70 B 1
+565 C CZ . PHE A 1 70 ? 215.784 181.848 162.95 1 17.18 ? 70 B 1
+566 N N . THR A 1 71 ? 220.526 179.875 161.145 1 25.65 ? 71 B 1
+567 C CA . THR A 1 71 ? 220.755 180.92 160.111 1 25.65 ? 71 B 1
+568 C C . THR A 1 71 ? 219.498 181.034 159.243 1 25.65 ? 71 B 1
+569 O O . THR A 1 71 ? 219.303 180.163 158.373 1 25.65 ? 71 B 1
+570 C CB . THR A 1 71 ? 222.008 180.618 159.281 1 25.65 ? 71 B 1
+571 O OG1 . THR A 1 71 ? 221.856 179.318 158.709 1 25.65 ? 71 B 1
+572 C CG2 . THR A 1 71 ? 223.279 180.673 160.099 1 25.65 ? 71 B 1
+573 N N . PRO A 1 72 ? 218.638 182.057 159.443 1 29.72 ? 72 B 1
+574 C CA . PRO A 1 72 ? 217.391 182.176 158.688 1 29.72 ? 72 B 1
+575 C C . PRO A 1 72 ? 217.602 181.819 157.21 1 29.72 ? 72 B 1
+576 O O . PRO A 1 72 ? 218.355 182.509 156.547 1 29.72 ? 72 B 1
+577 C CB . PRO A 1 72 ? 217.062 183.666 158.837 1 29.72 ? 72 B 1
+578 C CG . PRO A 1 72 ? 217.582 184.013 160.216 1 29.72 ? 72 B 1
+579 C CD . PRO A 1 72 ? 218.809 183.145 160.409 1 29.72 ? 72 B 1
+580 N N . THR A 1 73 ? 216.938 180.759 156.74 1 37.92 ? 73 B 1
+581 C CA . THR A 1 73 ? 217.057 180.333 155.32 1 37.92 ? 73 B 1
+582 C C . THR A 1 73 ? 215.649 180.139 154.75 1 37.92 ? 73 B 1
+583 O O . THR A 1 73 ? 214.785 179.632 155.493 1 37.92 ? 73 B 1
+584 C CB . THR A 1 73 ? 217.898 179.057 155.196 1 37.92 ? 73 B 1
+585 O OG1 . THR A 1 73 ? 219.194 179.33 155.732 1 37.92 ? 73 B 1
+586 C CG2 . THR A 1 73 ? 218.024 178.571 153.769 1 37.92 ? 73 B 1
+587 N N . GLU A 1 74 ? 215.428 180.505 153.482 1 34.8 ? 74 B 1
+588 C CA . GLU A 1 74 ? 214.059 180.449 152.892 1 34.8 ? 74 B 1
+589 C C . GLU A 1 74 ? 213.743 179.053 152.343 1 34.8 ? 74 B 1
+590 O O . GLU A 1 74 ? 212.948 178.974 151.386 1 34.8 ? 74 B 1
+591 C CB . GLU A 1 74 ? 213.919 181.507 151.795 1 34.8 ? 74 B 1
+592 C CG . GLU A 1 74 ? 214.123 182.924 152.3 1 34.8 ? 74 B 1
+593 C CD . GLU A 1 74 ? 213.954 184.002 151.244 1 34.8 ? 74 B 1
+594 O OE1 . GLU A 1 74 ? 213.673 183.651 150.081 1 34.8 ? 74 B 1
+595 O OE2 . GLU A 1 74 ? 214.103 185.192 151.588 1 34.8 ? 74 B 1
+596 N N . LYS A 1 75 ? 214.328 177.998 152.916 1 34.97 ? 75 B 1
+597 C CA . LYS A 1 75 ? 214.003 176.644 152.5 1 34.97 ? 75 B 1
+598 C C . LYS A 1 75 ? 213.427 175.782 153.611 1 34.97 ? 75 B 1
+599 O O . LYS A 1 75 ? 212.8 174.76 153.309 1 34.97 ? 75 B 1
+600 C CB . LYS A 1 75 ? 215.243 175.943 151.926 1 34.97 ? 75 B 1
+601 N N . ASP A 1 76 ? 213.616 176.152 154.873 1 29 ? 76 B 1
+602 C CA . ASP A 1 76 ? 213.102 175.398 156.004 1 29 ? 76 B 1
+603 C C . ASP A 1 76 ? 212.171 176.274 156.831 1 29 ? 76 B 1
+604 O O . ASP A 1 76 ? 212.372 177.488 156.932 1 29 ? 76 B 1
+605 C CB . ASP A 1 76 ? 214.242 174.873 156.882 1 29 ? 76 B 1
+606 C CG . ASP A 1 76 ? 215.154 173.911 156.144 1 29 ? 76 B 1
+607 O OD1 . ASP A 1 76 ? 214.653 173.147 155.293 1 29 ? 76 B 1
+608 O OD2 . ASP A 1 76 ? 216.372 173.918 156.417 1 29 ? 76 B 1
+609 N N . GLU A 1 77 ? 211.152 175.652 157.42 1 19.99 ? 77 B 1
+610 C CA . GLU A 1 77 ? 210.173 176.352 158.25 1 19.99 ? 77 B 1
+611 C C . GLU A 1 77 ? 210.343 175.867 159.686 1 19.99 ? 77 B 1
+612 O O . GLU A 1 77 ? 209.852 174.806 160.068 1 19.99 ? 77 B 1
+613 C CB . GLU A 1 77 ? 208.755 176.118 157.737 1 19.99 ? 77 B 1
+614 C CG . GLU A 1 77 ? 207.678 177.032 158.337 1 19.99 ? 77 B 1
+615 C CD . GLU A 1 77 ? 207.89 178.522 158.072 1 19.99 ? 77 B 1
+616 O OE1 . GLU A 1 77 ? 207.057 179.322 158.545 1 19.99 ? 77 B 1
+617 O OE2 . GLU A 1 77 ? 208.853 178.903 157.373 1 19.99 ? 77 B 1
+618 N N . TYR A 1 78 ? 211.058 176.657 160.481 1 15.55 ? 78 B 1
+619 C CA . TYR A 1 78 ? 211.273 176.329 161.883 1 15.55 ? 78 B 1
+620 C C . TYR A 1 78 ? 209.957 176.4 162.644 1 15.55 ? 78 B 1
+621 O O . TYR A 1 78 ? 209.1 177.234 162.343 1 15.55 ? 78 B 1
+622 C CB . TYR A 1 78 ? 212.296 177.285 162.49 1 15.55 ? 78 B 1
+623 C CG . TYR A 1 78 ? 213.644 177.226 161.812 1 15.55 ? 78 B 1
+624 C CD1 . TYR A 1 78 ? 213.876 177.904 160.625 1 15.55 ? 78 B 1
+625 C CD2 . TYR A 1 78 ? 214.684 176.494 162.361 1 15.55 ? 78 B 1
+626 C CE1 . TYR A 1 78 ? 215.101 177.849 160 1 15.55 ? 78 B 1
+627 C CE2 . TYR A 1 78 ? 215.915 176.438 161.746 1 15.55 ? 78 B 1
+628 C CZ . TYR A 1 78 ? 216.118 177.115 160.565 1 15.55 ? 78 B 1
+629 O OH . TYR A 1 78 ? 217.344 177.062 159.946 1 15.55 ? 78 B 1
+630 N N . ALA A 1 79 ? 209.793 175.524 163.631 1 12.41 ? 79 B 1
+631 C CA . ALA A 1 79 ? 208.552 175.47 164.389 1 12.41 ? 79 B 1
+632 C C . ALA A 1 79 ? 208.877 175.216 165.853 1 12.41 ? 79 B 1
+633 O O . ALA A 1 79 ? 209.984 174.802 166.202 1 12.41 ? 79 B 1
+634 C CB . ALA A 1 79 ? 207.615 174.394 163.835 1 12.41 ? 79 B 1
+635 N N . CYS A 1 80 ? 207.9 175.47 166.717 1 12.54 ? 80 B 1
+636 C CA . CYS A 1 80 ? 208.018 175.156 168.132 1 12.54 ? 80 B 1
+637 C C . CYS A 1 80 ? 206.842 174.279 168.527 1 12.54 ? 80 B 1
+638 O O . CYS A 1 80 ? 205.687 174.642 168.285 1 12.54 ? 80 B 1
+639 C CB . CYS A 1 80 ? 208.055 176.426 168.988 1 12.54 ? 80 B 1
+640 S SG . CYS A 1 80 ? 208.8 176.203 170.624 1 12.54 ? 80 B 1
+641 N N . ARG A 1 81 ? 207.136 173.127 169.122 1 17.45 ? 81 B 1
+642 C CA . ARG A 1 81 ? 206.129 172.18 169.575 1 17.45 ? 81 B 1
+643 C C . ARG A 1 81 ? 206.089 172.2 171.092 1 17.45 ? 81 B 1
+644 O O . ARG A 1 81 ? 207.135 172.161 171.745 1 17.45 ? 81 B 1
+645 C CB . ARG A 1 81 ? 206.441 170.769 169.078 1 17.45 ? 81 B 1
+646 C CG . ARG A 1 81 ? 205.521 169.694 169.623 1 17.45 ? 81 B 1
+647 C CD . ARG A 1 81 ? 205.951 168.325 169.134 1 17.45 ? 81 B 1
+648 N NE . ARG A 1 81 ? 207.28 167.979 169.62 1 17.45 ? 81 B 1
+649 C CZ . ARG A 1 81 ? 208.137 167.206 168.967 1 17.45 ? 81 B 1
+650 N NH1 . ARG A 1 81 ? 207.84 166.688 167.787 1 17.45 ? 81 B 1
+651 N NH2 . ARG A 1 81 ? 209.323 166.949 169.511 1 17.45 ? 81 B 1
+652 N N . VAL A 1 82 ? 204.883 172.25 171.666 1 14.53 ? 82 B 1
+653 C CA . VAL A 1 82 ? 204.774 172.362 173.153 1 14.53 ? 82 B 1
+654 C C . VAL A 1 82 ? 203.668 171.439 173.674 1 14.53 ? 82 B 1
+655 O O . VAL A 1 82 ? 202.517 171.587 173.217 1 14.53 ? 82 B 1
+656 C CB . VAL A 1 82 ? 204.527 173.819 173.589 1 14.53 ? 82 B 1
+657 C CG1 . VAL A 1 82 ? 204.241 173.921 175.079 1 14.53 ? 82 B 1
+658 C CG2 . VAL A 1 82 ? 205.682 174.729 173.2 1 14.53 ? 82 B 1
+659 N N . ASN A 1 83 ? 204.005 170.528 174.593 1 16.01 ? 83 B 1
+660 C CA . ASN A 1 83 ? 202.997 169.678 175.206 1 16.01 ? 83 B 1
+661 C C . ASN A 1 83 ? 202.953 169.944 176.703 1 16.01 ? 83 B 1
+662 O O . ASN A 1 83 ? 203.984 170.203 177.339 1 16.01 ? 83 B 1
+663 C CB . ASN A 1 83 ? 203.219 168.18 174.891 1 16.01 ? 83 B 1
+664 C CG . ASN A 1 83 ? 202.044 167.304 175.265 1 16.01 ? 83 B 1
+665 O OD1 . ASN A 1 83 ? 200.9 167.727 175.227 1 16.01 ? 83 B 1
+666 N ND2 . ASN A 1 83 ? 202.334 166.062 175.633 1 16.01 ? 83 B 1
+667 N N . HIS A 1 84 ? 201.739 169.905 177.242 1 20.44 ? 84 B 1
+668 C CA . HIS A 1 84 ? 201.44 170.317 178.602 1 20.44 ? 84 B 1
+669 C C . HIS A 1 84 ? 200.366 169.398 179.164 1 20.44 ? 84 B 1
+670 O O . HIS A 1 84 ? 199.841 168.526 178.468 1 20.44 ? 84 B 1
+671 C CB . HIS A 1 84 ? 200.975 171.784 178.636 1 20.44 ? 84 B 1
+672 C CG . HIS A 1 84 ? 200.957 172.393 180.002 1 20.44 ? 84 B 1
+673 N ND1 . HIS A 1 84 ? 199.796 172.558 180.725 1 20.44 ? 84 B 1
+674 C CD2 . HIS A 1 84 ? 201.951 172.892 180.772 1 20.44 ? 84 B 1
+675 C CE1 . HIS A 1 84 ? 200.077 173.123 181.884 1 20.44 ? 84 B 1
+676 N NE2 . HIS A 1 84 ? 201.379 173.335 181.939 1 20.44 ? 84 B 1
+677 N N . VAL A 1 85 ? 200.004 169.623 180.43 1 17.42 ? 85 B 1
+678 C CA . VAL A 1 85 ? 198.978 168.766 181.095 1 17.42 ? 85 B 1
+679 C C . VAL A 1 85 ? 197.576 169.199 180.65 1 17.42 ? 85 B 1
+680 O O . VAL A 1 85 ? 196.665 168.349 180.688 1 17.42 ? 85 B 1
+681 C CB . VAL A 1 85 ? 199.121 168.823 182.629 1 17.42 ? 85 B 1
+682 C CG1 . VAL A 1 85 ? 199.024 170.248 183.151 1 17.42 ? 85 B 1
+683 C CG2 . VAL A 1 85 ? 198.112 167.925 183.329 1 17.42 ? 85 B 1
+684 N N . THR A 1 86 ? 197.406 170.459 180.235 1 16.15 ? 86 B 1
+685 C CA . THR A 1 86 ? 196.062 170.945 179.891 1 16.15 ? 86 B 1
+686 C C . THR A 1 86 ? 195.735 170.754 178.41 1 16.15 ? 86 B 1
+687 O O . THR A 1 86 ? 194.658 170.259 178.069 1 16.15 ? 86 B 1
+688 C CB . THR A 1 86 ? 195.901 172.404 180.336 1 16.15 ? 86 B 1
+689 O OG1 . THR A 1 86 ? 194.542 172.819 180.148 1 16.15 ? 86 B 1
+690 C CG2 . THR A 1 86 ? 196.846 173.343 179.592 1 16.15 ? 86 B 1
+691 N N . LEU A 1 87 ? 196.647 171.143 177.521 1 19.14 ? 87 B 1
+692 C CA . LEU A 1 87 ? 196.378 171.009 176.095 1 19.14 ? 87 B 1
+693 C C . LEU A 1 87 ? 196.426 169.544 175.678 1 19.14 ? 87 B 1
+694 O O . LEU A 1 87 ? 197.324 168.795 176.071 1 19.14 ? 87 B 1
+695 C CB . LEU A 1 87 ? 197.364 171.857 175.281 1 19.14 ? 87 B 1
+696 C CG . LEU A 1 87 ? 198.88 171.654 175.322 1 19.14 ? 87 B 1
+697 C CD1 . LEU A 1 87 ? 199.343 170.557 174.381 1 19.14 ? 87 B 1
+698 C CD2 . LEU A 1 87 ? 199.57 172.962 174.984 1 19.14 ? 87 B 1
+699 N N . SER A 1 88 ? 195.429 169.135 174.89 1 19.72 ? 88 B 1
+700 C CA . SER A 1 88 ? 195.279 167.725 174.541 1 19.72 ? 88 B 1
+701 C C . SER A 1 88 ? 196.403 167.249 173.628 1 19.72 ? 88 B 1
+702 O O . SER A 1 88 ? 197.041 166.225 173.894 1 19.72 ? 88 B 1
+703 C CB . SER A 1 88 ? 193.92 167.497 173.88 1 19.72 ? 88 B 1
+704 O OG . SER A 1 88 ? 193.852 168.147 172.622 1 19.72 ? 88 B 1
+705 N N . GLN A 1 89 ? 196.662 167.982 172.551 1 18.87 ? 89 B 1
+706 C CA . GLN A 1 89 ? 197.626 167.583 171.541 1 18.87 ? 89 B 1
+707 C C . GLN A 1 89 ? 198.702 168.651 171.436 1 18.87 ? 89 B 1
+708 O O . GLN A 1 89 ? 198.391 169.845 171.41 1 18.87 ? 89 B 1
+709 C CB . GLN A 1 89 ? 196.936 167.397 170.179 1 18.87 ? 89 B 1
+710 C CG . GLN A 1 89 ? 197.838 167.038 168.999 1 18.87 ? 89 B 1
+711 C CD . GLN A 1 89 ? 198.266 165.578 168.997 1 18.87 ? 89 B 1
+712 O OE1 . GLN A 1 89 ? 199.453 165.271 169.097 1 18.87 ? 89 B 1
+713 N NE2 . GLN A 1 89 ? 197.298 164.673 168.936 1 18.87 ? 89 B 1
+714 N N . PRO A 1 90 ? 199.981 168.248 171.4 1 15.52 ? 90 B 1
+715 C CA . PRO A 1 90 ? 201.075 169.226 171.317 1 15.52 ? 90 B 1
+716 C C . PRO A 1 90 ? 200.872 170.301 170.262 1 15.52 ? 90 B 1
+717 O O . PRO A 1 90 ? 200.799 170.005 169.065 1 15.52 ? 90 B 1
+718 C CB . PRO A 1 90 ? 202.284 168.344 170.987 1 15.52 ? 90 B 1
+719 C CG . PRO A 1 90 ? 201.985 167.077 171.702 1 15.52 ? 90 B 1
+720 C CD . PRO A 1 90 ? 200.491 166.879 171.583 1 15.52 ? 90 B 1
+721 N N . LYS A 1 91 ? 200.774 171.554 170.703 1 13.46 ? 91 B 1
+722 C CA . LYS A 1 91 ? 200.612 172.67 169.781 1 13.46 ? 91 B 1
+723 C C . LYS A 1 91 ? 201.882 172.839 168.962 1 13.46 ? 91 B 1
+724 O O . LYS A 1 91 ? 202.989 172.716 169.494 1 13.46 ? 91 B 1
+725 C CB . LYS A 1 91 ? 200.3 173.955 170.543 1 13.46 ? 91 B 1
+726 C CG . LYS A 1 91 ? 198.957 173.968 171.243 1 13.46 ? 91 B 1
+727 C CD . LYS A 1 91 ? 198.815 175.202 172.122 1 13.46 ? 91 B 1
+728 C CE . LYS A 1 91 ? 198.846 176.478 171.296 1 13.46 ? 91 B 1
+729 N NZ . LYS A 1 91 ? 198.579 177.683 172.128 1 13.46 ? 91 B 1
+730 N N . ILE A 1 92 ? 201.726 173.118 167.674 1 13.89 ? 92 B 1
+731 C CA . ILE A 1 92 ? 202.857 173.344 166.779 1 13.89 ? 92 B 1
+732 C C . ILE A 1 92 ? 202.671 174.741 166.2 1 13.89 ? 92 B 1
+733 O O . ILE A 1 92 ? 201.801 174.981 165.363 1 13.89 ? 92 B 1
+734 C CB . ILE A 1 92 ? 202.949 172.275 165.694 1 13.89 ? 92 B 1
+735 C CG1 . ILE A 1 92 ? 203.23 170.908 166.316 1 13.89 ? 92 B 1
+736 C CG2 . ILE A 1 92 ? 204.031 172.633 164.69 1 13.89 ? 92 B 1
+737 C CD1 . ILE A 1 92 ? 203.09 169.757 165.345 1 13.89 ? 92 B 1
+738 N N . VAL A 1 93 ? 203.499 175.677 166.65 1 10.22 ? 93 B 1
+739 C CA . VAL A 1 93 ? 203.451 177.049 166.163 1 10.22 ? 93 B 1
+740 C C . VAL A 1 93 ? 204.626 177.276 165.225 1 10.22 ? 93 B 1
+741 O O . VAL A 1 93 ? 205.787 177.136 165.625 1 10.22 ? 93 B 1
+742 C CB . VAL A 1 93 ? 203.475 178.049 167.328 1 10.22 ? 93 B 1
+743 C CG1 . VAL A 1 93 ? 203.747 179.447 166.813 1 10.22 ? 93 B 1
+744 C CG2 . VAL A 1 93 ? 202.162 178.006 168.082 1 10.22 ? 93 B 1
+745 N N . LYS A 1 94 ? 204.327 177.611 163.974 1 13.21 ? 94 B 1
+746 C CA . LYS A 1 94 ? 205.373 177.872 163.002 1 13.21 ? 94 B 1
+747 C C . LYS A 1 94 ? 206 179.239 163.249 1 13.21 ? 94 B 1
+748 O O . LYS A 1 94 ? 205.389 180.139 163.829 1 13.21 ? 94 B 1
+749 C CB . LYS A 1 94 ? 204.823 177.8 161.577 1 13.21 ? 94 B 1
+750 C CG . LYS A 1 94 ? 204.222 176.458 161.203 1 13.21 ? 94 B 1
+751 C CD . LYS A 1 94 ? 205.274 175.367 161.158 1 13.21 ? 94 B 1
+752 C CE . LYS A 1 94 ? 204.684 174.055 160.669 1 13.21 ? 94 B 1
+753 N NZ . LYS A 1 94 ? 205.694 172.961 160.65 1 13.21 ? 94 B 1
+754 N N . TRP A 1 95 ? 207.239 179.386 162.795 1 12.43 ? 95 B 1
+755 C CA . TRP A 1 95 ? 207.97 180.642 162.926 1 12.43 ? 95 B 1
+756 C C . TRP A 1 95 ? 207.692 181.475 161.685 1 12.43 ? 95 B 1
+757 O O . TRP A 1 95 ? 208.014 181.069 160.566 1 12.43 ? 95 B 1
+758 C CB . TRP A 1 95 ? 209.461 180.389 163.1 1 12.43 ? 95 B 1
+759 C CG . TRP A 1 95 ? 210.297 181.582 162.793 1 12.43 ? 95 B 1
+760 C CD1 . TRP A 1 95 ? 210.405 182.715 163.534 1 12.43 ? 95 B 1
+761 C CD2 . TRP A 1 95 ? 211.145 181.762 161.657 1 12.43 ? 95 B 1
+762 N NE1 . TRP A 1 95 ? 211.27 183.593 162.933 1 12.43 ? 95 B 1
+763 C CE2 . TRP A 1 95 ? 211.738 183.029 161.777 1 12.43 ? 95 B 1
+764 C CE3 . TRP A 1 95 ? 211.46 180.973 160.55 1 12.43 ? 95 B 1
+765 C CZ2 . TRP A 1 95 ? 212.627 183.526 160.835 1 12.43 ? 95 B 1
+766 C CZ3 . TRP A 1 95 ? 212.342 181.468 159.616 1 12.43 ? 95 B 1
+767 C CH2 . TRP A 1 95 ? 212.917 182.732 159.763 1 12.43 ? 95 B 1
+768 N N . ASP A 1 96 ? 207.09 182.642 161.879 1 14.8 ? 96 B 1
+769 C CA . ASP A 1 96 ? 206.77 183.544 160.782 1 14.8 ? 96 B 1
+770 C C . ASP A 1 96 ? 207.644 184.787 160.895 1 14.8 ? 96 B 1
+771 O O . ASP A 1 96 ? 207.732 185.392 161.969 1 14.8 ? 96 B 1
+772 C CB . ASP A 1 96 ? 205.288 183.913 160.797 1 14.8 ? 96 B 1
+773 C CG . ASP A 1 96 ? 204.845 184.582 159.516 1 14.8 ? 96 B 1
+774 O OD1 . ASP A 1 96 ? 205.601 184.521 158.523 1 14.8 ? 96 B 1
+775 O OD2 . ASP A 1 96 ? 203.739 185.158 159.495 1 14.8 ? 96 B 1
+776 N N . ARG A 1 97 ? 208.295 185.155 159.79 1 12.95 ? 97 B 1
+777 C CA . ARG A 1 97 ? 209.161 186.329 159.79 1 12.95 ? 97 B 1
+778 C C . ARG A 1 97 ? 208.37 187.584 160.122 1 12.95 ? 97 B 1
+779 O O . ARG A 1 97 ? 208.838 188.457 160.862 1 12.95 ? 97 B 1
+780 C CB . ARG A 1 97 ? 209.834 186.482 158.427 1 12.95 ? 97 B 1
+781 C CG . ARG A 1 97 ? 211.104 185.688 158.251 1 12.95 ? 97 B 1
+782 C CD . ARG A 1 97 ? 211.565 185.737 156.801 1 12.95 ? 97 B 1
+783 N NE . ARG A 1 97 ? 212.465 184.644 156.449 1 12.95 ? 97 B 1
+784 C CZ . ARG A 1 97 ? 212.151 183.355 156.492 1 12.95 ? 97 B 1
+785 N NH1 . ARG A 1 97 ? 210.94 182.946 156.834 1 12.95 ? 97 B 1
+786 N NH2 . ARG A 1 97 ? 213.074 182.453 156.171 1 12.95 ? 97 B 1
+787 N N . ASP A 1 98 ? 207.161 187.685 159.577 1 19.7 ? 98 B 1
+788 C CA . ASP A 1 98 ? 206.381 188.91 159.686 1 19.7 ? 98 B 1
+789 C C . ASP A 1 98 ? 205.8 189.07 161.085 1 19.7 ? 98 B 1
+790 O O . ASP A 1 98 ? 205.603 190.192 161.563 1 19.7 ? 98 B 1
+791 C CB . ASP A 1 98 ? 205.272 188.885 158.637 1 19.7 ? 98 B 1
+792 C CG . ASP A 1 98 ? 205.799 189.058 157.234 1 19.7 ? 98 B 1
+793 O OD1 . ASP A 1 98 ? 206.967 189.477 157.085 1 19.7 ? 98 B 1
+794 O OD2 . ASP A 1 98 ? 205.063 188.741 156.279 1 19.7 ? 98 B 1
+795 N N . MET A 1 99 ? 205.524 187.958 161.756 1 22.17 ? 99 B 1
+796 C CA . MET A 1 99 ? 204.779 187.981 163.007 1 22.17 ? 99 B 1
+797 C C . MET A 1 99 ? 205.637 187.536 164.187 1 22.17 ? 99 B 1
+798 O O . MET A 1 99 ? 206.865 187.6 164.141 1 22.17 ? 99 B 1
+799 C CB . MET A 1 99 ? 203.547 187.087 162.885 1 22.17 ? 99 B 1
+800 C CG . MET A 1 99 ? 202.522 187.616 161.9 1 22.17 ? 99 B 1
+801 S SD . MET A 1 99 ? 201.104 186.535 161.678 1 22.17 ? 99 B 1
+802 C CE . MET A 1 99 ? 200.186 187.446 160.437 1 22.17 ? 99 B 1
+803 O OXT . MET A 1 99 ? 205.122 187.104 165.219 1 22.17 ? 99 B 1
+804 N N . GLY B 2 1 ? 164.252 173.076 201.333 1 34.78 ? 1 T 1
+805 C CA . GLY B 2 1 ? 165.227 172.202 200.707 1 34.78 ? 1 T 1
+806 C C . GLY B 2 1 ? 165.766 171.147 201.652 1 34.78 ? 1 T 1
+807 O O . GLY B 2 1 ? 165.017 170.594 202.456 1 34.78 ? 1 T 1
+808 N N . PRO B 2 2 ? 167.066 170.857 201.553 1 34.39 ? 2 T 1
+809 C CA . PRO B 2 2 ? 167.674 169.877 202.465 1 34.39 ? 2 T 1
+810 C C . PRO B 2 2 ? 167.67 170.36 203.906 1 34.39 ? 2 T 1
+811 O O . PRO B 2 2 ? 168.152 171.458 204.2 1 34.39 ? 2 T 1
+812 C CB . PRO B 2 2 ? 169.103 169.728 201.926 1 34.39 ? 2 T 1
+813 C CG . PRO B 2 2 ? 169.352 170.964 201.13 1 34.39 ? 2 T 1
+814 C CD . PRO B 2 2 ? 168.029 171.39 200.576 1 34.39 ? 2 T 1
+815 N N . ALA B 2 3 ? 167.129 169.55 204.815 1 29.45 ? 3 T 1
+816 C CA . ALA B 2 3 ? 167.046 169.905 206.225 1 29.45 ? 3 T 1
+817 C C . ALA B 2 3 ? 168.293 169.506 207.002 1 29.45 ? 3 T 1
+818 O O . ALA B 2 3 ? 168.394 169.816 208.193 1 29.45 ? 3 T 1
+819 C CB . ALA B 2 3 ? 165.807 169.271 206.859 1 29.45 ? 3 T 1
+820 N N . VAL B 2 4 ? 169.242 168.827 206.361 1 17.82 ? 4 T 1
+821 C CA . VAL B 2 4 ? 170.497 168.45 207.001 1 17.82 ? 4 T 1
+822 C C . VAL B 2 4 ? 171.636 168.713 206.027 1 17.82 ? 4 T 1
+823 O O . VAL B 2 4 ? 171.756 168.036 205 1 17.82 ? 4 T 1
+824 C CB . VAL B 2 4 ? 170.488 166.978 207.451 1 17.82 ? 4 T 1
+825 C CG1 . VAL B 2 4 ? 171.883 166.545 207.871 1 17.82 ? 4 T 1
+826 C CG2 . VAL B 2 4 ? 169.499 166.768 208.586 1 17.82 ? 4 T 1
+827 N N . ILE B 2 5 ? 172.478 169.693 206.339 1 8.55 ? 5 T 1
+828 C CA . ILE B 2 5 ? 173.576 170.082 205.463 1 8.55 ? 5 T 1
+829 C C . ILE B 2 5 ? 174.842 169.424 206.001 1 8.55 ? 5 T 1
+830 O O . ILE B 2 5 ? 175.385 169.84 207.024 1 8.55 ? 5 T 1
+831 C CB . ILE B 2 5 ? 173.72 171.601 205.381 1 8.55 ? 5 T 1
+832 C CG1 . ILE B 2 5 ? 172.469 172.215 204.756 1 8.55 ? 5 T 1
+833 C CG2 . ILE B 2 5 ? 174.951 171.975 204.579 1 8.55 ? 5 T 1
+834 C CD1 . ILE B 2 5 ? 172.487 173.723 204.724 1 8.55 ? 5 T 1
+835 N N . GLU B 2 6 ? 175.317 168.393 205.306 1 6.43 ? 6 T 1
+836 C CA . GLU B 2 6 ? 176.563 167.749 205.699 1 6.43 ? 6 T 1
+837 C C . GLU B 2 6 ? 177.727 168.699 205.461 1 6.43 ? 6 T 1
+838 O O . GLU B 2 6 ? 177.912 169.209 204.353 1 6.43 ? 6 T 1
+839 C CB . GLU B 2 6 ? 176.764 166.452 204.917 1 6.43 ? 6 T 1
+840 N N . CYS B 2 7 ? 178.52 168.93 206.504 1 8.26 ? 7 T 1
+841 C CA . CYS B 2 7 ? 179.518 169.985 206.479 1 8.26 ? 7 T 1
+842 C C . CYS B 2 7 ? 180.855 169.407 206.919 1 8.26 ? 7 T 1
+843 O O . CYS B 2 7 ? 181.015 168.193 207.053 1 8.26 ? 7 T 1
+844 C CB . CYS B 2 7 ? 179.088 171.154 207.369 1 8.26 ? 7 T 1
+845 S SG . CYS B 2 7 ? 180.187 172.567 207.374 1 8.26 ? 7 T 1
+846 N N . TRP B 2 8 ? 181.827 170.29 207.133 1 10.28 ? 8 T 1
+847 C CA . TRP B 2 8 ? 183.174 169.896 207.529 1 10.28 ? 8 T 1
+848 C C . TRP B 2 8 ? 183.759 170.954 208.452 1 10.28 ? 8 T 1
+849 O O . TRP B 2 8 ? 184.029 172.078 208.02 1 10.28 ? 8 T 1
+850 C CB . TRP B 2 8 ? 184.072 169.7 206.307 1 10.28 ? 8 T 1
+851 C CG . TRP B 2 8 ? 183.759 168.463 205.533 1 10.28 ? 8 T 1
+852 C CD1 . TRP B 2 8 ? 182.992 168.374 204.41 1 10.28 ? 8 T 1
+853 C CD2 . TRP B 2 8 ? 184.192 167.131 205.831 1 10.28 ? 8 T 1
+854 N NE1 . TRP B 2 8 ? 182.927 167.069 203.985 1 10.28 ? 8 T 1
+855 C CE2 . TRP B 2 8 ? 183.655 166.286 204.842 1 10.28 ? 8 T 1
+856 C CE3 . TRP B 2 8 ? 184.984 166.572 206.837 1 10.28 ? 8 T 1
+857 C CZ2 . TRP B 2 8 ? 183.884 164.914 204.829 1 10.28 ? 8 T 1
+858 C CZ3 . TRP B 2 8 ? 185.21 165.21 206.822 1 10.28 ? 8 T 1
+859 C CH2 . TRP B 2 8 ? 184.663 164.396 205.825 1 10.28 ? 8 T 1
+860 N N . PHE B 2 9 ? 183.967 170.587 209.716 1 8.76 ? 9 T 1
+861 C CA . PHE B 2 9 ? 184.524 171.5 210.712 1 8.76 ? 9 T 1
+862 C C . PHE B 2 9 ? 186.039 171.551 210.537 1 8.76 ? 9 T 1
+863 O O . PHE B 2 9 ? 186.787 170.712 211.041 1 8.76 ? 9 T 1
+864 C CB . PHE B 2 9 ? 184.137 171.053 212.115 1 8.76 ? 9 T 1
+865 C CG . PHE B 2 9 ? 184.489 172.039 213.19 1 8.76 ? 9 T 1
+866 C CD1 . PHE B 2 9 ? 183.534 172.903 213.691 1 8.76 ? 9 T 1
+867 C CD2 . PHE B 2 9 ? 185.774 172.108 213.696 1 8.76 ? 9 T 1
+868 C CE1 . PHE B 2 9 ? 183.852 173.807 214.678 1 8.76 ? 9 T 1
+869 C CE2 . PHE B 2 9 ? 186.096 173.013 214.677 1 8.76 ? 9 T 1
+870 C CZ . PHE B 2 9 ? 185.134 173.863 215.17 1 8.76 ? 9 T 1
+871 N N . VAL B 2 10 ? 186.499 172.564 209.803 1 11.59 ? 10 T 1
+872 C CA . VAL B 2 10 ? 187.934 172.794 209.681 1 11.59 ? 10 T 1
+873 C C . VAL B 2 10 ? 188.471 173.264 211.025 1 11.59 ? 10 T 1
+874 O O . VAL B 2 10 ? 187.881 174.133 211.677 1 11.59 ? 10 T 1
+875 C CB . VAL B 2 10 ? 188.231 173.801 208.566 1 11.59 ? 10 T 1
+876 C CG1 . VAL B 2 10 ? 189.727 174.002 208.419 1 11.59 ? 10 T 1
+877 C CG2 . VAL B 2 10 ? 187.636 173.32 207.257 1 11.59 ? 10 T 1
+878 N N . GLU B 2 11 ? 189.528 172.586 211.48 1 15.19 ? 11 T 1
+879 C CA . GLU B 2 11 ? 190.143 172.939 212.784 1 15.19 ? 11 T 1
+880 C C . GLU B 2 11 ? 191.21 173.998 212.515 1 15.19 ? 11 T 1
+881 O O . GLU B 2 11 ? 191.878 173.905 211.466 1 15.19 ? 11 T 1
+882 C CB . GLU B 2 11 ? 190.694 171.684 213.463 1 15.19 ? 11 T 1
+883 C CG . GLU B 2 11 ? 189.712 170.526 213.437 1 15.19 ? 11 T 1
+884 C CD . GLU B 2 11 ? 189.812 169.559 214.605 1 15.19 ? 11 T 1
+885 O OE1 . GLU B 2 11 ? 189.373 168.402 214.45 1 15.19 ? 11 T 1
+886 O OE2 . GLU B 2 11 ? 190.31 169.971 215.67 1 15.19 ? 11 T 1
+887 N N . ASP B 2 12 ? 191.362 174.96 213.422 1 22.01 ? 12 T 1
+888 C CA . ASP B 2 12 ? 192.28 176.065 213.179 1 22.01 ? 12 T 1
+889 C C . ASP B 2 12 ? 193.582 175.974 213.964 1 22.01 ? 12 T 1
+890 O O . ASP B 2 12 ? 194.507 176.749 213.691 1 22.01 ? 12 T 1
+891 C CB . ASP B 2 12 ? 191.595 177.396 213.501 1 22.01 ? 12 T 1
+892 C CG . ASP B 2 12 ? 191.232 177.524 214.962 1 22.01 ? 12 T 1
+893 O OD1 . ASP B 2 12 ? 190.978 176.484 215.605 1 22.01 ? 12 T 1
+894 O OD2 . ASP B 2 12 ? 191.199 178.666 215.467 1 22.01 ? 12 T 1
+895 N N . ALA B 2 13 ? 193.682 175.066 214.933 1 38.82 ? 13 T 1
+896 C CA . ALA B 2 13 ? 194.894 174.967 215.739 1 38.82 ? 13 T 1
+897 C C . ALA B 2 13 ? 196.098 174.632 214.867 1 38.82 ? 13 T 1
+898 O O . ALA B 2 13 ? 196.048 173.72 214.038 1 38.82 ? 13 T 1
+899 C CB . ALA B 2 13 ? 194.715 173.913 216.832 1 38.82 ? 13 T 1
+900 N N . SER B 2 14 ? 197.185 175.383 215.063 1 47.21 ? 14 T 1
+901 C CA . SER B 2 14 ? 198.367 175.218 214.222 1 47.21 ? 14 T 1
+902 C C . SER B 2 14 ? 199.048 173.875 214.452 1 47.21 ? 14 T 1
+903 O O . SER B 2 14 ? 199.636 173.312 213.522 1 47.21 ? 14 T 1
+904 C CB . SER B 2 14 ? 199.353 176.359 214.472 1 47.21 ? 14 T 1
+905 O OG . SER B 2 14 ? 199.764 176.391 215.827 1 47.21 ? 14 T 1
+906 N N . GLY B 2 15 ? 198.988 173.352 215.679 1 49.95 ? 15 T 1
+907 C CA . GLY B 2 15 ? 199.637 172.083 215.963 1 49.95 ? 15 T 1
+908 C C . GLY B 2 15 ? 199.05 170.931 215.17 1 49.95 ? 15 T 1
+909 O O . GLY B 2 15 ? 199.763 170.004 214.781 1 49.95 ? 15 T 1
+910 N N . LYS B 2 16 ? 197.743 170.973 214.924 1 42.86 ? 16 T 1
+911 C CA . LYS B 2 16 ? 197.05 169.937 214.172 1 42.86 ? 16 T 1
+912 C C . LYS B 2 16 ? 196.835 170.314 212.712 1 42.86 ? 16 T 1
+913 O O . LYS B 2 16 ? 196.124 169.601 211.997 1 42.86 ? 16 T 1
+914 C CB . LYS B 2 16 ? 195.712 169.619 214.84 1 42.86 ? 16 T 1
+915 C CG . LYS B 2 16 ? 194.76 170.794 214.884 1 42.86 ? 16 T 1
+916 C CD . LYS B 2 16 ? 193.458 170.418 215.554 1 42.86 ? 16 T 1
+917 C CE . LYS B 2 16 ? 193.666 170.148 217.033 1 42.86 ? 16 T 1
+918 N NZ . LYS B 2 16 ? 192.391 169.776 217.705 1 42.86 ? 16 T 1
+919 N N . GLY B 2 17 ? 197.435 171.41 212.255 1 46.29 ? 17 T 1
+920 C CA . GLY B 2 17 ? 197.296 171.802 210.862 1 46.29 ? 17 T 1
+921 C C . GLY B 2 17 ? 195.873 172.207 210.531 1 46.29 ? 17 T 1
+922 O O . GLY B 2 17 ? 195.194 172.882 211.312 1 46.29 ? 17 T 1
+923 N N . LEU B 2 18 ? 195.411 171.789 209.355 1 26.29 ? 18 T 1
+924 C CA . LEU B 2 18 ? 194.074 172.099 208.863 1 26.29 ? 18 T 1
+925 C C . LEU B 2 18 ? 193.217 170.84 208.775 1 26.29 ? 18 T 1
+926 O O . LEU B 2 18 ? 192.474 170.639 207.814 1 26.29 ? 18 T 1
+927 C CB . LEU B 2 18 ? 194.145 172.795 207.507 1 26.29 ? 18 T 1
+928 C CG . LEU B 2 18 ? 195.021 174.047 207.428 1 26.29 ? 18 T 1
+929 C CD1 . LEU B 2 18 ? 195.335 174.398 205.984 1 26.29 ? 18 T 1
+930 C CD2 . LEU B 2 18 ? 194.346 175.215 208.125 1 26.29 ? 18 T 1
+931 N N . ALA B 2 19 ? 193.326 169.976 209.78 1 16.67 ? 19 T 1
+932 C CA . ALA B 2 19 ? 192.604 168.711 209.786 1 16.67 ? 19 T 1
+933 C C . ALA B 2 19 ? 191.101 168.942 209.815 1 16.67 ? 19 T 1
+934 O O . ALA B 2 19 ? 190.616 169.855 210.485 1 16.67 ? 19 T 1
+935 C CB . ALA B 2 19 ? 193.039 167.872 210.988 1 16.67 ? 19 T 1
+936 N N . LYS B 2 20 ? 190.37 168.121 209.069 1 9.71 ? 20 T 1
+937 C CA . LYS B 2 20 ? 188.922 168.239 208.994 1 9.71 ? 20 T 1
+938 C C . LYS B 2 20 ? 188.26 167.174 209.859 1 9.71 ? 20 T 1
+939 O O . LYS B 2 20 ? 188.714 166.027 209.897 1 9.71 ? 20 T 1
+940 C CB . LYS B 2 20 ? 188.464 168.095 207.544 1 9.71 ? 20 T 1
+941 C CG . LYS B 2 20 ? 189.325 168.855 206.552 1 9.71 ? 20 T 1
+942 C CD . LYS B 2 20 ? 188.958 168.518 205.114 1 9.71 ? 20 T 1
+943 C CE . LYS B 2 20 ? 187.626 169.127 204.713 1 9.71 ? 20 T 1
+944 N NZ . LYS B 2 20 ? 187.233 168.725 203.334 1 9.71 ? 20 T 1
+945 N N . ARG B 2 21 ? 187.189 167.549 210.551 1 8.01 ? 21 T 1
+946 C CA . ARG B 2 21 ? 186.355 166.561 211.213 1 8.01 ? 21 T 1
+947 C C . ARG B 2 21 ? 184.94 166.669 210.672 1 8.01 ? 21 T 1
+948 O O . ARG B 2 21 ? 184.531 167.732 210.197 1 8.01 ? 21 T 1
+949 C CB . ARG B 2 21 ? 186.306 166.736 212.74 1 8.01 ? 21 T 1
+950 C CG . ARG B 2 21 ? 185.67 168.035 213.201 1 8.01 ? 21 T 1
+951 C CD . ARG B 2 21 ? 184.994 167.89 214.566 1 8.01 ? 21 T 1
+952 N NE . ARG B 2 21 ? 185.836 167.289 215.593 1 8.01 ? 21 T 1
+953 C CZ . ARG B 2 21 ? 186.755 167.945 216.287 1 8.01 ? 21 T 1
+954 N NH1 . ARG B 2 21 ? 186.975 169.235 216.094 1 8.01 ? 21 T 1
+955 N NH2 . ARG B 2 21 ? 187.466 167.293 217.2 1 8.01 ? 21 T 1
+956 N N . PRO B 2 22 ? 184.178 165.586 210.72 1 7.5 ? 22 T 1
+957 C CA . PRO B 2 22 ? 182.769 165.663 210.315 1 7.5 ? 22 T 1
+958 C C . PRO B 2 22 ? 181.951 166.557 211.233 1 7.5 ? 22 T 1
+959 O O . PRO B 2 22 ? 182.461 167.077 212.23 1 7.5 ? 22 T 1
+960 C CB . PRO B 2 22 ? 182.308 164.206 210.393 1 7.5 ? 22 T 1
+961 C CG . PRO B 2 22 ? 183.551 163.409 210.217 1 7.5 ? 22 T 1
+962 C CD . PRO B 2 22 ? 184.635 164.196 210.883 1 7.5 ? 22 T 1
+963 N N . GLY B 2 23 ? 180.675 166.729 210.909 1 7.3 ? 23 T 1
+964 C CA . GLY B 2 23 ? 179.792 167.602 211.657 1 7.3 ? 23 T 1
+965 C C . GLY B 2 23 ? 178.888 168.389 210.735 1 7.3 ? 23 T 1
+966 O O . GLY B 2 23 ? 179.362 169.104 209.849 1 7.3 ? 23 T 1
+967 N N . ALA B 2 24 ? 177.581 168.27 210.939 1 10.04 ? 24 T 1
+968 C CA . ALA B 2 24 ? 176.595 168.774 209.999 1 10.04 ? 24 T 1
+969 C C . ALA B 2 24 ? 175.601 169.691 210.692 1 10.04 ? 24 T 1
+970 O O . ALA B 2 24 ? 175.168 169.432 211.818 1 10.04 ? 24 T 1
+971 C CB . ALA B 2 24 ? 175.843 167.622 209.328 1 10.04 ? 24 T 1
+972 N N . LEU B 2 25 ? 175.235 170.763 209.999 1 10.42 ? 25 T 1
+973 C CA . LEU B 2 25 ? 174.228 171.69 210.485 1 10.42 ? 25 T 1
+974 C C . LEU B 2 25 ? 172.847 171.043 210.441 1 10.42 ? 25 T 1
+975 O O . LEU B 2 25 ? 172.684 169.886 210.046 1 10.42 ? 25 T 1
+976 C CB . LEU B 2 25 ? 174.224 172.971 209.65 1 10.42 ? 25 T 1
+977 C CG . LEU B 2 25 ? 175.321 174.012 209.876 1 10.42 ? 25 T 1
+978 C CD1 . LEU B 2 25 ? 176.678 173.505 209.424 1 10.42 ? 25 T 1
+979 C CD2 . LEU B 2 25 ? 174.968 175.295 209.149 1 10.42 ? 25 T 1
+980 N N . LEU B 2 26 ? 171.843 171.808 210.86 1 12.93 ? 26 T 1
+981 C CA . LEU B 2 26 ? 170.456 171.367 210.788 1 12.93 ? 26 T 1
+982 C C . LEU B 2 26 ? 169.569 172.598 210.773 1 12.93 ? 26 T 1
+983 O O . LEU B 2 26 ? 169.464 173.299 211.783 1 12.93 ? 26 T 1
+984 C CB . LEU B 2 26 ? 170.099 170.45 211.961 1 12.93 ? 26 T 1
+985 C CG . LEU B 2 26 ? 168.735 169.761 211.896 1 12.93 ? 26 T 1
+986 C CD1 . LEU B 2 26 ? 168.838 168.345 212.421 1 12.93 ? 26 T 1
+987 C CD2 . LEU B 2 26 ? 167.688 170.536 212.68 1 12.93 ? 26 T 1
+988 N N . LEU B 2 27 ? 168.933 172.855 209.636 1 16.99 ? 27 T 1
+989 C CA . LEU B 2 27 ? 168.122 174.048 209.467 1 16.99 ? 27 T 1
+990 C C . LEU B 2 27 ? 166.822 173.931 210.259 1 16.99 ? 27 T 1
+991 O O . LEU B 2 27 ? 166.422 172.85 210.698 1 16.99 ? 27 T 1
+992 C CB . LEU B 2 27 ? 167.827 174.283 207.988 1 16.99 ? 27 T 1
+993 C CG . LEU B 2 27 ? 168.775 175.195 207.207 1 16.99 ? 27 T 1
+994 C CD1 . LEU B 2 27 ? 170.23 174.875 207.493 1 16.99 ? 27 T 1
+995 C CD2 . LEU B 2 27 ? 168.493 175.056 205.73 1 16.99 ? 27 T 1
+996 N N . ARG B 2 28 ? 166.164 175.074 210.44 1 19.08 ? 28 T 1
+997 C CA . ARG B 2 28 ? 164.904 175.163 211.178 1 19.08 ? 28 T 1
+998 C C . ARG B 2 28 ? 165.045 174.641 212.604 1 19.08 ? 28 T 1
+999 O O . ARG B 2 28 ? 164.356 175.103 213.513 1 19.08 ? 28 T 1
+1000 C CB . ARG B 2 28 ? 163.794 174.4 210.448 1 19.08 ? 28 T 1
+1001 N N . GLU B 2 33 ? 161.547 167.187 217.176 1 40.74 ? 33 T 1
+1002 C CA . GLU B 2 33 ? 162.227 165.9 217.087 1 40.74 ? 33 T 1
+1003 C C . GLU B 2 33 ? 163.434 165.985 216.16 1 40.74 ? 33 T 1
+1004 O O . GLU B 2 33 ? 163.345 165.632 214.984 1 40.74 ? 33 T 1
+1005 C CB . GLU B 2 33 ? 161.264 164.825 216.608 1 40.74 ? 33 T 1
+1006 N N . PRO B 2 34 ? 164.561 166.454 216.687 1 41.16 ? 34 T 1
+1007 C CA . PRO B 2 34 ? 165.773 166.571 215.871 1 41.16 ? 34 T 1
+1008 C C . PRO B 2 34 ? 166.311 165.202 215.504 1 41.16 ? 34 T 1
+1009 O O . PRO B 2 34 ? 166.528 164.355 216.384 1 41.16 ? 34 T 1
+1010 C CB . PRO B 2 34 ? 166.75 167.328 216.786 1 41.16 ? 34 T 1
+1011 C CG . PRO B 2 34 ? 165.913 167.867 217.914 1 41.16 ? 34 T 1
+1012 C CD . PRO B 2 34 ? 164.78 166.912 218.067 1 41.16 ? 34 T 1
+1013 N N . PRO B 2 35 ? 166.533 164.943 214.219 1 44.24 ? 35 T 1
+1014 C CA . PRO B 2 35 ? 167.06 163.639 213.799 1 44.24 ? 35 T 1
+1015 C C . PRO B 2 35 ? 168.466 163.426 214.328 1 44.24 ? 35 T 1
+1016 O O . PRO B 2 35 ? 169.387 164.19 214 1 44.24 ? 35 T 1
+1017 C CB . PRO B 2 35 ? 167.051 163.724 212.264 1 44.24 ? 35 T 1
+1018 C CG . PRO B 2 35 ? 166.936 165.176 211.944 1 44.24 ? 35 T 1
+1019 C CD . PRO B 2 35 ? 166.206 165.814 213.079 1 44.24 ? 35 T 1
+1020 N N . PRO B 2 36 ? 168.674 162.398 215.15 1 47.82 ? 36 T 1
+1021 C CA . PRO B 2 36 ? 170.004 162.155 215.717 1 47.82 ? 36 T 1
+1022 C C . PRO B 2 36 ? 170.861 161.26 214.837 1 47.82 ? 36 T 1
+1023 O O . PRO B 2 36 ? 170.39 160.301 214.222 1 47.82 ? 36 T 1
+1024 C CB . PRO B 2 36 ? 169.679 161.461 217.045 1 47.82 ? 36 T 1
+1025 C CG . PRO B 2 36 ? 168.42 160.701 216.756 1 47.82 ? 36 T 1
+1026 C CD . PRO B 2 36 ? 167.675 161.444 215.663 1 47.82 ? 36 T 1
+1027 N N . ARG B 2 37 ? 172.148 161.592 214.779 1 45.63 ? 37 T 1
+1028 C CA . ARG B 2 37 ? 173.146 160.785 214.082 1 45.63 ? 37 T 1
+1029 C C . ARG B 2 37 ? 174.399 160.739 214.947 1 45.63 ? 37 T 1
+1030 O O . ARG B 2 37 ? 175.181 161.698 214.991 1 45.63 ? 37 T 1
+1031 C CB . ARG B 2 37 ? 173.418 161.327 212.678 1 45.63 ? 37 T 1
+1032 C CG . ARG B 2 37 ? 173.623 162.827 212.594 1 45.63 ? 37 T 1
+1033 C CD . ARG B 2 37 ? 173.855 163.26 211.158 1 45.63 ? 37 T 1
+1034 N NE . ARG B 2 37 ? 175.122 162.764 210.638 1 45.63 ? 37 T 1
+1035 C CZ . ARG B 2 37 ? 175.484 162.827 209.364 1 45.63 ? 37 T 1
+1036 N NH1 . ARG B 2 37 ? 174.696 163.365 208.448 1 45.63 ? 37 T 1
+1037 N NH2 . ARG B 2 37 ? 176.668 162.343 209.002 1 45.63 ? 37 T 1
+1038 N N . PRO B 2 38 ? 174.611 159.636 215.665 1 45.73 ? 38 T 1
+1039 C CA . PRO B 2 38 ? 175.744 159.566 216.603 1 45.73 ? 38 T 1
+1040 C C . PRO B 2 38 ? 177.108 159.65 215.941 1 45.73 ? 38 T 1
+1041 O O . PRO B 2 38 ? 178.104 159.891 216.634 1 45.73 ? 38 T 1
+1042 C CB . PRO B 2 38 ? 175.54 158.207 217.286 1 45.73 ? 38 T 1
+1043 C CG . PRO B 2 38 ? 174.081 157.915 217.126 1 45.73 ? 38 T 1
+1044 C CD . PRO B 2 38 ? 173.72 158.471 215.784 1 45.73 ? 38 T 1
+1045 N N . ASP B 2 39 ? 177.186 159.444 214.623 1 48.49 ? 39 T 1
+1046 C CA . ASP B 2 39 ? 178.477 159.43 213.94 1 48.49 ? 39 T 1
+1047 C C . ASP B 2 39 ? 179.247 160.728 214.135 1 48.49 ? 39 T 1
+1048 O O . ASP B 2 39 ? 180.482 160.715 214.195 1 48.49 ? 39 T 1
+1049 C CB . ASP B 2 39 ? 178.277 159.17 212.445 1 48.49 ? 39 T 1
+1050 C CG . ASP B 2 39 ? 177.797 157.763 212.154 1 48.49 ? 39 T 1
+1051 O OD1 . ASP B 2 39 ? 178.123 156.848 212.938 1 48.49 ? 39 T 1
+1052 O OD2 . ASP B 2 39 ? 177.093 157.573 211.14 1 48.49 ? 39 T 1
+1053 N N . LEU B 2 40 ? 178.545 161.852 214.237 1 33.79 ? 40 T 1
+1054 C CA . LEU B 2 40 ? 179.214 163.143 214.243 1 33.79 ? 40 T 1
+1055 C C . LEU B 2 40 ? 179.737 163.472 215.635 1 33.79 ? 40 T 1
+1056 O O . LEU B 2 40 ? 179.234 162.967 216.641 1 33.79 ? 40 T 1
+1057 C CB . LEU B 2 40 ? 178.257 164.236 213.78 1 33.79 ? 40 T 1
+1058 C CG . LEU B 2 40 ? 177.804 164.109 212.325 1 33.79 ? 40 T 1
+1059 C CD1 . LEU B 2 40 ? 176.762 165.159 211.995 1 33.79 ? 40 T 1
+1060 C CD2 . LEU B 2 40 ? 178.955 164.135 211.345 1 33.79 ? 40 T 1
+1061 N N . ASP B 2 41 ? 180.754 164.32 215.687 1 34.94 ? 41 T 1
+1062 C CA . ASP B 2 41 ? 181.255 164.817 216.959 1 34.94 ? 41 T 1
+1063 C C . ASP B 2 41 ? 180.207 165.721 217.599 1 34.94 ? 41 T 1
+1064 O O . ASP B 2 41 ? 179.667 166.605 216.918 1 34.94 ? 41 T 1
+1065 C CB . ASP B 2 41 ? 182.564 165.573 216.76 1 34.94 ? 41 T 1
+1066 C CG . ASP B 2 41 ? 183.199 165.992 218.069 1 34.94 ? 41 T 1
+1067 O OD1 . ASP B 2 41 ? 183.775 165.124 218.758 1 34.94 ? 41 T 1
+1068 O OD2 . ASP B 2 41 ? 183.122 167.19 218.41 1 34.94 ? 41 T 1
+1069 N N . PRO B 2 42 ? 179.886 165.54 218.883 1 33.09 ? 42 T 1
+1070 C CA . PRO B 2 42 ? 178.798 166.332 219.483 1 33.09 ? 42 T 1
+1071 C C . PRO B 2 42 ? 179.073 167.824 219.522 1 33.09 ? 42 T 1
+1072 O O . PRO B 2 42 ? 178.126 168.614 219.63 1 33.09 ? 42 T 1
+1073 C CB . PRO B 2 42 ? 178.682 165.745 220.896 1 33.09 ? 42 T 1
+1074 C CG . PRO B 2 42 ? 180.029 165.16 221.169 1 33.09 ? 42 T 1
+1075 C CD . PRO B 2 42 ? 180.505 164.623 219.853 1 33.09 ? 42 T 1
+1076 N N . GLU B 2 43 ? 180.339 168.238 219.448 1 31.65 ? 43 T 1
+1077 C CA . GLU B 2 43 ? 180.66 169.659 219.495 1 31.65 ? 43 T 1
+1078 C C . GLU B 2 43 ? 180.336 170.371 218.187 1 31.65 ? 43 T 1
+1079 O O . GLU B 2 43 ? 179.968 171.55 218.213 1 31.65 ? 43 T 1
+1080 C CB . GLU B 2 43 ? 182.138 169.846 219.854 1 31.65 ? 43 T 1
+1081 C CG . GLU B 2 43 ? 182.661 171.268 219.71 1 31.65 ? 43 T 1
+1082 C CD . GLU B 2 43 ? 184.175 171.34 219.769 1 31.65 ? 43 T 1
+1083 O OE1 . GLU B 2 43 ? 184.713 172.461 219.891 1 31.65 ? 43 T 1
+1084 O OE2 . GLU B 2 43 ? 184.827 170.278 219.694 1 31.65 ? 43 T 1
+1085 N N . LEU B 2 44 ? 180.438 169.682 217.051 1 20.4 ? 44 T 1
+1086 C CA . LEU B 2 44 ? 180.254 170.301 215.745 1 20.4 ? 44 T 1
+1087 C C . LEU B 2 44 ? 178.94 169.912 215.079 1 20.4 ? 44 T 1
+1088 O O . LEU B 2 44 ? 178.867 169.892 213.847 1 20.4 ? 44 T 1
+1089 C CB . LEU B 2 44 ? 181.427 169.951 214.829 1 20.4 ? 44 T 1
+1090 N N . TYR B 2 45 ? 177.903 169.6 215.854 1 21.94 ? 45 T 1
+1091 C CA . TYR B 2 45 ? 176.58 169.295 215.308 1 21.94 ? 45 T 1
+1092 C C . TYR B 2 45 ? 175.611 170.359 215.804 1 21.94 ? 45 T 1
+1093 O O . TYR B 2 45 ? 175.093 170.29 216.918 1 21.94 ? 45 T 1
+1094 C CB . TYR B 2 45 ? 176.133 167.898 215.715 1 21.94 ? 45 T 1
+1095 C CG . TYR B 2 45 ? 174.794 167.498 215.147 1 21.94 ? 45 T 1
+1096 C CD1 . TYR B 2 45 ? 174.663 167.146 213.814 1 21.94 ? 45 T 1
+1097 C CD2 . TYR B 2 45 ? 173.659 167.474 215.942 1 21.94 ? 45 T 1
+1098 C CE1 . TYR B 2 45 ? 173.444 166.776 213.287 1 21.94 ? 45 T 1
+1099 C CE2 . TYR B 2 45 ? 172.435 167.105 215.424 1 21.94 ? 45 T 1
+1100 C CZ . TYR B 2 45 ? 172.333 166.758 214.096 1 21.94 ? 45 T 1
+1101 O OH . TYR B 2 45 ? 171.115 166.391 213.576 1 21.94 ? 45 T 1
+1102 N N . LEU B 2 46 ? 175.351 171.35 214.959 1 12.95 ? 46 T 1
+1103 C CA . LEU B 2 46 ? 174.625 172.549 215.355 1 12.95 ? 46 T 1
+1104 C C . LEU B 2 46 ? 173.21 172.516 214.797 1 12.95 ? 46 T 1
+1105 O O . LEU B 2 46 ? 173.017 172.332 213.591 1 12.95 ? 46 T 1
+1106 C CB . LEU B 2 46 ? 175.351 173.802 214.872 1 12.95 ? 46 T 1
+1107 C CG . LEU B 2 46 ? 176.804 173.959 215.314 1 12.95 ? 46 T 1
+1108 C CD1 . LEU B 2 46 ? 177.741 173.309 214.316 1 12.95 ? 46 T 1
+1109 C CD2 . LEU B 2 46 ? 177.139 175.426 215.488 1 12.95 ? 46 T 1
+1110 N N . SER B 2 47 ? 172.227 172.7 215.673 1 11.33 ? 47 T 1
+1111 C CA . SER B 2 47 ? 170.847 172.901 215.251 1 11.33 ? 47 T 1
+1112 C C . SER B 2 47 ? 170.629 174.394 215.052 1 11.33 ? 47 T 1
+1113 O O . SER B 2 47 ? 170.393 175.127 216.015 1 11.33 ? 47 T 1
+1114 C CB . SER B 2 47 ? 169.88 172.336 216.286 1 11.33 ? 47 T 1
+1115 O OG . SER B 2 47 ? 168.536 172.556 215.897 1 11.33 ? 47 T 1
+1116 N N . VAL B 2 48 ? 170.702 174.844 213.802 1 10.74 ? 48 T 1
+1117 C CA . VAL B 2 48 ? 170.682 176.269 213.495 1 10.74 ? 48 T 1
+1118 C C . VAL B 2 48 ? 169.288 176.835 213.713 1 10.74 ? 48 T 1
+1119 O O . VAL B 2 48 ? 168.394 176.66 212.878 1 10.74 ? 48 T 1
+1120 C CB . VAL B 2 48 ? 171.162 176.531 212.057 1 10.74 ? 48 T 1
+1121 C CG1 . VAL B 2 48 ? 171.022 177.995 211.714 1 10.74 ? 48 T 1
+1122 C CG2 . VAL B 2 48 ? 172.604 176.093 211.898 1 10.74 ? 48 T 1
+1123 N N . HIS B 2 49 ? 169.091 177.506 214.843 1 16.54 ? 49 T 1
+1124 C CA . HIS B 2 49 ? 167.861 178.245 215.093 1 16.54 ? 49 T 1
+1125 C C . HIS B 2 49 ? 168.065 179.674 214.61 1 16.54 ? 49 T 1
+1126 O O . HIS B 2 49 ? 168.764 180.461 215.256 1 16.54 ? 49 T 1
+1127 C CB . HIS B 2 49 ? 167.497 178.205 216.574 1 16.54 ? 49 T 1
+1128 C CG . HIS B 2 49 ? 166.047 178.454 216.842 1 16.54 ? 49 T 1
+1129 N ND1 . HIS B 2 49 ? 165.063 177.551 216.501 1 16.54 ? 49 T 1
+1130 C CD2 . HIS B 2 49 ? 165.411 179.506 217.41 1 16.54 ? 49 T 1
+1131 C CE1 . HIS B 2 49 ? 163.885 178.033 216.851 1 16.54 ? 49 T 1
+1132 N NE2 . HIS B 2 49 ? 164.068 179.218 217.404 1 16.54 ? 49 T 1
+1133 N N . ASP B 2 50 ? 167.456 180.012 213.477 1 24.37 ? 50 T 1
+1134 C CA . ASP B 2 50 ? 167.721 181.276 212.799 1 24.37 ? 50 T 1
+1135 C C . ASP B 2 50 ? 166.602 182.257 213.12 1 24.37 ? 50 T 1
+1136 O O . ASP B 2 50 ? 165.456 182.055 212.689 1 24.37 ? 50 T 1
+1137 C CB . ASP B 2 50 ? 167.832 181.048 211.286 1 24.37 ? 50 T 1
+1138 C CG . ASP B 2 50 ? 168.205 182.306 210.506 1 24.37 ? 50 T 1
+1139 O OD1 . ASP B 2 50 ? 168.395 183.351 211.159 1 24.37 ? 50 T 1
+1140 O OD2 . ASP B 2 50 ? 168.311 182.28 209.263 1 24.37 ? 50 T 1
+1141 N N . PRO B 2 51 ? 166.874 183.33 213.868 1 25.37 ? 51 T 1
+1142 C CA . PRO B 2 51 ? 165.85 184.366 214.06 1 25.37 ? 51 T 1
+1143 C C . PRO B 2 51 ? 165.849 185.421 212.968 1 25.37 ? 51 T 1
+1144 O O . PRO B 2 51 ? 164.847 186.133 212.823 1 25.37 ? 51 T 1
+1145 C CB . PRO B 2 51 ? 166.21 184.978 215.422 1 25.37 ? 51 T 1
+1146 C CG . PRO B 2 51 ? 167.59 184.44 215.777 1 25.37 ? 51 T 1
+1147 C CD . PRO B 2 51 ? 168.093 183.604 214.642 1 25.37 ? 51 T 1
+1148 N N . ALA B 2 52 ? 166.937 185.55 212.205 1 25.04 ? 52 T 1
+1149 C CA . ALA B 2 52 ? 166.979 186.538 211.132 1 25.04 ? 52 T 1
+1150 C C . ALA B 2 52 ? 165.958 186.222 210.048 1 25.04 ? 52 T 1
+1151 O O . ALA B 2 52 ? 165.305 187.127 209.516 1 25.04 ? 52 T 1
+1152 C CB . ALA B 2 52 ? 168.386 186.61 210.539 1 25.04 ? 52 T 1
+1153 N N . GLY B 2 53 ? 165.805 184.942 209.707 1 25.81 ? 53 T 1
+1154 C CA . GLY B 2 53 ? 164.884 184.5 208.69 1 25.81 ? 53 T 1
+1155 C C . GLY B 2 53 ? 165.481 184.419 207.298 1 25.81 ? 53 T 1
+1156 O O . GLY B 2 53 ? 164.797 183.983 206.367 1 25.81 ? 53 T 1
+1157 N N . ALA B 2 54 ? 166.739 184.832 207.134 1 25.6 ? 54 T 1
+1158 C CA . ALA B 2 54 ? 167.342 184.861 205.806 1 25.6 ? 54 T 1
+1159 C C . ALA B 2 54 ? 167.834 183.481 205.386 1 25.6 ? 54 T 1
+1160 O O . ALA B 2 54 ? 167.531 183.012 204.285 1 25.6 ? 54 T 1
+1161 C CB . ALA B 2 54 ? 168.486 185.872 205.772 1 25.6 ? 54 T 1
+1162 N N . LEU B 2 55 ? 168.604 182.816 206.25 1 20.69 ? 55 T 1
+1163 C CA . LEU B 2 55 ? 169.254 181.567 205.858 1 20.69 ? 55 T 1
+1164 C C . LEU B 2 55 ? 168.238 180.448 205.651 1 20.69 ? 55 T 1
+1165 O O . LEU B 2 55 ? 168.283 179.727 204.643 1 20.69 ? 55 T 1
+1166 C CB . LEU B 2 55 ? 170.291 181.17 206.91 1 20.69 ? 55 T 1
+1167 C CG . LEU B 2 55 ? 171.358 180.131 206.556 1 20.69 ? 55 T 1
+1168 C CD1 . LEU B 2 55 ? 172.603 180.36 207.396 1 20.69 ? 55 T 1
+1169 C CD2 . LEU B 2 55 ? 170.848 178.715 206.763 1 20.69 ? 55 T 1
+1170 N N . GLN B 2 56 ? 167.324 180.273 206.609 1 28.42 ? 56 T 1
+1171 C CA . GLN B 2 56 ? 166.376 179.168 206.52 1 28.42 ? 56 T 1
+1172 C C . GLN B 2 56 ? 165.414 179.359 205.356 1 28.42 ? 56 T 1
+1173 O O . GLN B 2 56 ? 165.022 178.386 204.705 1 28.42 ? 56 T 1
+1174 C CB . GLN B 2 56 ? 165.618 179.006 207.839 1 28.42 ? 56 T 1
+1175 C CG . GLN B 2 56 ? 164.7 180.16 208.204 1 28.42 ? 56 T 1
+1176 C CD . GLN B 2 56 ? 163.971 179.927 209.513 1 28.42 ? 56 T 1
+1177 O OE1 . GLN B 2 56 ? 164.393 179.115 210.336 1 28.42 ? 56 T 1
+1178 N NE2 . GLN B 2 56 ? 162.868 180.639 209.712 1 28.42 ? 56 T 1
+1179 N N . ALA B 2 57 ? 165.036 180.605 205.062 1 33.12 ? 57 T 1
+1180 C CA . ALA B 2 57 ? 164.182 180.85 203.906 1 33.12 ? 57 T 1
+1181 C C . ALA B 2 57 ? 164.955 180.72 202.601 1 33.12 ? 57 T 1
+1182 O O . ALA B 2 57 ? 164.389 180.295 201.588 1 33.12 ? 57 T 1
+1183 C CB . ALA B 2 57 ? 163.536 182.231 204.007 1 33.12 ? 57 T 1
+1184 N N . ALA B 2 58 ? 166.238 181.086 202.602 1 31.76 ? 58 T 1
+1185 C CA . ALA B 2 58 ? 167.047 180.965 201.395 1 31.76 ? 58 T 1
+1186 C C . ALA B 2 58 ? 167.229 179.506 201.006 1 31.76 ? 58 T 1
+1187 O O . ALA B 2 58 ? 167.08 179.141 199.834 1 31.76 ? 58 T 1
+1188 C CB . ALA B 2 58 ? 168.401 181.641 201.599 1 31.76 ? 58 T 1
+1189 N N . PHE B 2 59 ? 167.547 178.653 201.978 1 33.37 ? 59 T 1
+1190 C CA . PHE B 2 59 ? 167.726 177.238 201.672 1 33.37 ? 59 T 1
+1191 C C . PHE B 2 59 ? 166.436 176.433 201.732 1 33.37 ? 59 T 1
+1192 O O . PHE B 2 59 ? 166.444 175.252 201.367 1 33.37 ? 59 T 1
+1193 C CB . PHE B 2 59 ? 168.765 176.612 202.601 1 33.37 ? 59 T 1
+1194 C CG . PHE B 2 59 ? 170.137 176.56 202.009 1 33.37 ? 59 T 1
+1195 C CD1 . PHE B 2 59 ? 170.468 175.565 201.108 1 33.37 ? 59 T 1
+1196 C CD2 . PHE B 2 59 ? 171.089 177.504 202.339 1 33.37 ? 59 T 1
+1197 C CE1 . PHE B 2 59 ? 171.724 175.509 200.552 1 33.37 ? 59 T 1
+1198 C CE2 . PHE B 2 59 ? 172.349 177.451 201.785 1 33.37 ? 59 T 1
+1199 C CZ . PHE B 2 59 ? 172.664 176.453 200.889 1 33.37 ? 59 T 1
+1200 N N . ARG B 2 60 ? 165.335 177.033 202.185 1 49.74 ? 60 T 1
+1201 C CA . ARG B 2 60 ? 164.039 176.378 202.056 1 49.74 ? 60 T 1
+1202 C C . ARG B 2 60 ? 163.618 176.282 200.597 1 49.74 ? 60 T 1
+1203 O O . ARG B 2 60 ? 163.07 175.258 200.173 1 49.74 ? 60 T 1
+1204 C CB . ARG B 2 60 ? 162.995 177.135 202.878 1 49.74 ? 60 T 1
+1205 C CG . ARG B 2 60 ? 161.58 177.064 202.338 1 49.74 ? 60 T 1
+1206 C CD . ARG B 2 60 ? 160.594 177.621 203.35 1 49.74 ? 60 T 1
+1207 N NE . ARG B 2 60 ? 160.742 179.062 203.508 1 49.74 ? 60 T 1
+1208 C CZ . ARG B 2 60 ? 160.089 179.79 204.403 1 49.74 ? 60 T 1
+1209 N NH1 . ARG B 2 60 ? 159.226 179.242 205.243 1 49.74 ? 60 T 1
+1210 N NH2 . ARG B 2 60 ? 160.308 181.101 204.458 1 49.74 ? 60 T 1
+1211 N N . ARG B 2 61 ? 163.879 177.328 199.816 1 53.9 ? 61 T 1
+1212 C CA . ARG B 2 61 ? 163.554 177.359 198.398 1 53.9 ? 61 T 1
+1213 C C . ARG B 2 61 ? 164.701 176.836 197.54 1 53.9 ? 61 T 1
+1214 O O . ARG B 2 61 ? 164.563 176.75 196.315 1 53.9 ? 61 T 1
+1215 C CB . ARG B 2 61 ? 163.165 178.795 197.999 1 53.9 ? 61 T 1
+1216 C CG . ARG B 2 61 ? 162.787 179.044 196.536 1 53.9 ? 61 T 1
+1217 C CD . ARG B 2 61 ? 161.701 178.091 196.016 1 53.9 ? 61 T 1
+1218 N NE . ARG B 2 61 ? 160.71 177.7 197.015 1 53.9 ? 61 T 1
+1219 C CZ . ARG B 2 61 ? 159.853 178.527 197.601 1 53.9 ? 61 T 1
+1220 N NH1 . ARG B 2 61 ? 159.809 179.813 197.294 1 53.9 ? 61 T 1
+1221 N NH2 . ARG B 2 61 ? 159.012 178.048 198.513 1 53.9 ? 61 T 1
+1222 N N . TYR B 2 62 ? 165.814 176.448 198.154 1 50.06 ? 62 T 1
+1223 C CA . TYR B 2 62 ? 166.929 175.89 197.404 1 50.06 ? 62 T 1
+1224 C C . TYR B 2 62 ? 166.471 174.626 196.679 1 50.06 ? 62 T 1
+1225 O O . TYR B 2 62 ? 165.762 173.802 197.273 1 50.06 ? 62 T 1
+1226 C CB . TYR B 2 62 ? 168.095 175.579 198.343 1 50.06 ? 62 T 1
+1227 C CG . TYR B 2 62 ? 169.381 175.202 197.644 1 50.06 ? 62 T 1
+1228 C CD1 . TYR B 2 62 ? 170.188 176.173 197.064 1 50.06 ? 62 T 1
+1229 C CD2 . TYR B 2 62 ? 169.799 173.88 197.576 1 50.06 ? 62 T 1
+1230 C CE1 . TYR B 2 62 ? 171.368 175.837 196.428 1 50.06 ? 62 T 1
+1231 C CE2 . TYR B 2 62 ? 170.979 173.536 196.943 1 50.06 ? 62 T 1
+1232 C CZ . TYR B 2 62 ? 171.758 174.519 196.37 1 50.06 ? 62 T 1
+1233 O OH . TYR B 2 62 ? 172.933 174.184 195.738 1 50.06 ? 62 T 1
+1234 N N . PRO B 2 63 ? 166.833 174.446 195.41 1 55.25 ? 63 T 1
+1235 C CA . PRO B 2 63 ? 166.26 173.349 194.618 1 55.25 ? 63 T 1
+1236 C C . PRO B 2 63 ? 166.51 171.983 195.243 1 55.25 ? 63 T 1
+1237 O O . PRO B 2 63 ? 167.585 171.709 195.781 1 55.25 ? 63 T 1
+1238 C CB . PRO B 2 63 ? 166.97 173.488 193.268 1 55.25 ? 63 T 1
+1239 C CG . PRO B 2 63 ? 167.326 174.931 193.185 1 55.25 ? 63 T 1
+1240 C CD . PRO B 2 63 ? 167.672 175.337 194.59 1 55.25 ? 63 T 1
+1241 N N . ARG B 2 64 ? 165.497 171.123 195.167 1 56.11 ? 64 T 1
+1242 C CA . ARG B 2 64 ? 165.604 169.776 195.701 1 56.11 ? 64 T 1
+1243 C C . ARG B 2 64 ? 166.407 168.887 194.755 1 56.11 ? 64 T 1
+1244 O O . ARG B 2 64 ? 166.393 169.056 193.533 1 56.11 ? 64 T 1
+1245 C CB . ARG B 2 64 ? 164.216 169.179 195.932 1 56.11 ? 64 T 1
+1246 N N . GLY B 2 65 ? 167.114 167.924 195.342 1 64.28 ? 65 T 1
+1247 C CA . GLY B 2 65 ? 167.961 167.039 194.571 1 64.28 ? 65 T 1
+1248 C C . GLY B 2 65 ? 169.291 167.628 194.166 1 64.28 ? 65 T 1
+1249 O O . GLY B 2 65 ? 170.047 166.971 193.442 1 64.28 ? 65 T 1
+1250 N N . ALA B 2 66 ? 169.599 168.843 194.608 1 51.33 ? 66 T 1
+1251 C CA . ALA B 2 66 ? 170.86 169.47 194.264 1 51.33 ? 66 T 1
+1252 C C . ALA B 2 66 ? 172.012 168.775 194.988 1 51.33 ? 66 T 1
+1253 O O . ALA B 2 66 ? 171.802 168.106 196.004 1 51.33 ? 66 T 1
+1254 C CB . ALA B 2 66 ? 170.83 170.952 194.627 1 51.33 ? 66 T 1
+1255 N N . PRO B 2 67 ? 173.238 168.905 194.479 1 43.88 ? 67 T 1
+1256 C CA . PRO B 2 67 ? 174.387 168.319 195.176 1 43.88 ? 67 T 1
+1257 C C . PRO B 2 67 ? 174.543 168.899 196.573 1 43.88 ? 67 T 1
+1258 O O . PRO B 2 67 ? 174.028 169.973 196.894 1 43.88 ? 67 T 1
+1259 C CB . PRO B 2 67 ? 175.575 168.693 194.281 1 43.88 ? 67 T 1
+1260 C CG . PRO B 2 67 ? 174.976 168.889 192.934 1 43.88 ? 67 T 1
+1261 C CD . PRO B 2 67 ? 173.628 169.494 193.186 1 43.88 ? 67 T 1
+1262 N N . ALA B 2 68 ? 175.257 168.16 197.412 1 25.23 ? 68 T 1
+1263 C CA . ALA B 2 68 ? 175.436 168.572 198.795 1 25.23 ? 68 T 1
+1264 C C . ALA B 2 68 ? 176.193 169.895 198.851 1 25.23 ? 68 T 1
+1265 O O . ALA B 2 68 ? 177.223 170.043 198.18 1 25.23 ? 68 T 1
+1266 C CB . ALA B 2 68 ? 176.19 167.499 199.58 1 25.23 ? 68 T 1
+1267 N N . PRO B 2 69 ? 175.71 170.879 199.608 1 13.15 ? 69 T 1
+1268 C CA . PRO B 2 69 ? 176.457 172.132 199.752 1 13.15 ? 69 T 1
+1269 C C . PRO B 2 69 ? 177.841 171.883 200.329 1 13.15 ? 69 T 1
+1270 O O . PRO B 2 69 ? 178.026 171.046 201.214 1 13.15 ? 69 T 1
+1271 C CB . PRO B 2 69 ? 175.585 172.949 200.708 1 13.15 ? 69 T 1
+1272 C CG . PRO B 2 69 ? 174.212 172.419 200.493 1 13.15 ? 69 T 1
+1273 C CD . PRO B 2 69 ? 174.385 170.951 200.245 1 13.15 ? 69 T 1
+1274 N N . HIS B 2 70 ? 178.821 172.628 199.816 1 9.41 ? 70 T 1
+1275 C CA . HIS B 2 70 ? 180.227 172.415 200.156 1 9.41 ? 70 T 1
+1276 C C . HIS B 2 70 ? 180.551 173.201 201.422 1 9.41 ? 70 T 1
+1277 O O . HIS B 2 70 ? 181.453 174.041 201.463 1 9.41 ? 70 T 1
+1278 C CB . HIS B 2 70 ? 181.121 172.834 198.996 1 9.41 ? 70 T 1
+1279 C CG . HIS B 2 70 ? 180.974 171.974 197.78 1 9.41 ? 70 T 1
+1280 N ND1 . HIS B 2 70 ? 181.551 172.293 196.57 1 9.41 ? 70 T 1
+1281 C CD2 . HIS B 2 70 ? 180.303 170.815 197.583 1 9.41 ? 70 T 1
+1282 C CE1 . HIS B 2 70 ? 181.248 171.363 195.682 1 9.41 ? 70 T 1
+1283 N NE2 . HIS B 2 70 ? 180.492 170.455 196.271 1 9.41 ? 70 T 1
+1284 N N . CYS B 2 71 ? 179.798 172.912 202.48 1 6.37 ? 71 T 1
+1285 C CA . CYS B 2 71 ? 179.937 173.64 203.73 1 6.37 ? 71 T 1
+1286 C C . CYS B 2 71 ? 181.323 173.446 204.33 1 6.37 ? 71 T 1
+1287 O O . CYS B 2 71 ? 181.984 172.425 204.131 1 6.37 ? 71 T 1
+1288 C CB . CYS B 2 71 ? 178.881 173.205 204.74 1 6.37 ? 71 T 1
+1289 S SG . CYS B 2 71 ? 179.113 173.96 206.357 1 6.37 ? 71 T 1
+1290 N N . GLU B 2 72 ? 181.753 174.457 205.085 1 12.82 ? 72 T 1
+1291 C CA . GLU B 2 72 ? 183.069 174.469 205.721 1 12.82 ? 72 T 1
+1292 C C . GLU B 2 72 ? 182.935 175.325 206.978 1 12.82 ? 72 T 1
+1293 O O . GLU B 2 72 ? 182.568 176.499 206.893 1 12.82 ? 72 T 1
+1294 C CB . GLU B 2 72 ? 184.135 175.018 204.782 1 12.82 ? 72 T 1
+1295 C CG . GLU B 2 72 ? 184.574 174.083 203.667 1 12.82 ? 72 T 1
+1296 C CD . GLU B 2 72 ? 185.495 174.762 202.67 1 12.82 ? 72 T 1
+1297 O OE1 . GLU B 2 72 ? 185.655 175.997 202.754 1 12.82 ? 72 T 1
+1298 O OE2 . GLU B 2 72 ? 186.059 174.063 201.803 1 12.82 ? 72 T 1
+1299 N N . MET B 2 73 ? 183.203 174.732 208.133 1 6.99 ? 73 T 1
+1300 C CA . MET B 2 73 ? 183.103 175.45 209.391 1 6.99 ? 73 T 1
+1301 C C . MET B 2 73 ? 184.468 175.571 210.05 1 6.99 ? 73 T 1
+1302 O O . MET B 2 73 ? 185.388 174.804 209.76 1 6.99 ? 73 T 1
+1303 C CB . MET B 2 73 ? 182.142 174.746 210.343 1 6.99 ? 73 T 1
+1304 C CG . MET B 2 73 ? 180.691 174.907 209.988 1 6.99 ? 73 T 1
+1305 S SD . MET B 2 73 ? 179.663 174.193 211.271 1 6.99 ? 73 T 1
+1306 C CE . MET B 2 73 ? 180.056 175.316 212.604 1 6.99 ? 73 T 1
+1307 N N . SER B 2 74 ? 184.589 176.544 210.95 1 9.3 ? 74 T 1
+1308 C CA . SER B 2 74 ? 185.807 176.719 211.727 1 9.3 ? 74 T 1
+1309 C C . SER B 2 74 ? 185.525 177.673 212.874 1 9.3 ? 74 T 1
+1310 O O . SER B 2 74 ? 184.53 178.398 212.847 1 9.3 ? 74 T 1
+1311 C CB . SER B 2 74 ? 186.948 177.261 210.86 1 9.3 ? 74 T 1
+1312 O OG . SER B 2 74 ? 186.706 178.605 210.484 1 9.3 ? 74 T 1
+1313 N N . ARG B 2 75 ? 186.403 177.668 213.872 1 12.1 ? 75 T 1
+1314 C CA . ARG B 2 75 ? 186.293 178.627 214.962 1 12.1 ? 75 T 1
+1315 C C . ARG B 2 75 ? 187.027 179.911 214.607 1 12.1 ? 75 T 1
+1316 O O . ARG B 2 75 ? 188.11 179.882 214.016 1 12.1 ? 75 T 1
+1317 C CB . ARG B 2 75 ? 186.867 178.054 216.257 1 12.1 ? 75 T 1
+1318 C CG . ARG B 2 75 ? 186.071 176.921 216.871 1 12.1 ? 75 T 1
+1319 C CD . ARG B 2 75 ? 186.543 176.653 218.289 1 12.1 ? 75 T 1
+1320 N NE . ARG B 2 75 ? 187.932 176.212 218.342 1 12.1 ? 75 T 1
+1321 C CZ . ARG B 2 75 ? 188.327 174.955 218.206 1 12.1 ? 75 T 1
+1322 N NH1 . ARG B 2 75 ? 187.46 173.973 218.026 1 12.1 ? 75 T 1
+1323 N NH2 . ARG B 2 75 ? 189.626 174.672 218.261 1 12.1 ? 75 T 1
+1324 N N . PHE B 2 76 ? 186.433 181.044 214.969 1 9.63 ? 76 T 1
+1325 C CA . PHE B 2 76 ? 187.118 182.319 214.831 1 9.63 ? 76 T 1
+1326 C C . PHE B 2 76 ? 186.641 183.228 215.95 1 9.63 ? 76 T 1
+1327 O O . PHE B 2 76 ? 185.455 183.234 216.289 1 9.63 ? 76 T 1
+1328 C CB . PHE B 2 76 ? 186.861 182.964 213.463 1 9.63 ? 76 T 1
+1329 C CG . PHE B 2 76 ? 185.648 183.85 213.42 1 9.63 ? 76 T 1
+1330 C CD1 . PHE B 2 76 ? 184.378 183.318 213.324 1 9.63 ? 76 T 1
+1331 C CD2 . PHE B 2 76 ? 185.789 185.228 213.439 1 9.63 ? 76 T 1
+1332 C CE1 . PHE B 2 76 ? 183.272 184.144 213.278 1 9.63 ? 76 T 1
+1333 C CE2 . PHE B 2 76 ? 184.689 186.055 213.389 1 9.63 ? 76 T 1
+1334 C CZ . PHE B 2 76 ? 183.431 185.514 213.309 1 9.63 ? 76 T 1
+1335 N N . VAL B 2 77 ? 187.57 183.976 216.531 1 10.59 ? 77 T 1
+1336 C CA . VAL B 2 77 ? 187.237 184.933 217.581 1 10.59 ? 77 T 1
+1337 C C . VAL B 2 77 ? 187.163 186.313 216.942 1 10.59 ? 77 T 1
+1338 O O . VAL B 2 77 ? 187.927 186.599 216.011 1 10.59 ? 77 T 1
+1339 C CB . VAL B 2 77 ? 188.259 184.884 218.725 1 10.59 ? 77 T 1
+1340 C CG1 . VAL B 2 77 ? 188.108 183.588 219.505 1 10.59 ? 77 T 1
+1341 C CG2 . VAL B 2 77 ? 189.671 185.009 218.174 1 10.59 ? 77 T 1
+1342 N N . PRO B 2 78 ? 186.262 187.187 217.383 1 10.33 ? 78 T 1
+1343 C CA . PRO B 2 78 ? 186.11 188.481 216.706 1 10.33 ? 78 T 1
+1344 C C . PRO B 2 78 ? 187.313 189.391 216.891 1 10.33 ? 78 T 1
+1345 O O . PRO B 2 78 ? 187.554 189.903 217.988 1 10.33 ? 78 T 1
+1346 C CB . PRO B 2 78 ? 184.857 189.08 217.36 1 10.33 ? 78 T 1
+1347 C CG . PRO B 2 78 ? 184.186 187.95 218.059 1 10.33 ? 78 T 1
+1348 C CD . PRO B 2 78 ? 185.259 186.989 218.438 1 10.33 ? 78 T 1
+1349 N N . LEU B 2 79 ? 188.073 189.6 215.818 1 11.95 ? 79 T 1
+1350 C CA . LEU B 2 79 ? 189.127 190.597 215.811 1 11.95 ? 79 T 1
+1351 C C . LEU B 2 79 ? 188.658 191.838 215.062 1 11.95 ? 79 T 1
+1352 O O . LEU B 2 79 ? 187.923 191.73 214.076 1 11.95 ? 79 T 1
+1353 C CB . LEU B 2 79 ? 190.418 190.075 215.163 1 11.95 ? 79 T 1
+1354 C CG . LEU B 2 79 ? 191.173 188.926 215.84 1 11.95 ? 79 T 1
+1355 C CD1 . LEU B 2 79 ? 192.335 188.447 214.988 1 11.95 ? 79 T 1
+1356 C CD2 . LEU B 2 79 ? 191.657 189.336 217.226 1 11.95 ? 79 T 1
+1357 N N . PRO B 2 80 ? 189.057 193.027 215.504 1 11.69 ? 80 T 1
+1358 C CA . PRO B 2 80 ? 188.58 194.253 214.859 1 11.69 ? 80 T 1
+1359 C C . PRO B 2 80 ? 189.037 194.338 213.413 1 11.69 ? 80 T 1
+1360 O O . PRO B 2 80 ? 190.042 193.747 213.011 1 11.69 ? 80 T 1
+1361 C CB . PRO B 2 80 ? 189.204 195.367 215.704 1 11.69 ? 80 T 1
+1362 C CG . PRO B 2 80 ? 190.398 194.735 216.33 1 11.69 ? 80 T 1
+1363 C CD . PRO B 2 80 ? 190.003 193.313 216.595 1 11.69 ? 80 T 1
+1364 N N . ALA B 2 81 ? 188.257 195.072 212.623 1 24.03 ? 81 T 1
+1365 C CA . ALA B 2 81 ? 188.575 195.254 211.215 1 24.03 ? 81 T 1
+1366 C C . ALA B 2 81 ? 189.966 195.853 211.056 1 24.03 ? 81 T 1
+1367 O O . ALA B 2 81 ? 190.314 196.842 211.707 1 24.03 ? 81 T 1
+1368 C CB . ALA B 2 81 ? 187.533 196.15 210.549 1 24.03 ? 81 T 1
+1369 N N . SER B 2 82 ? 190.765 195.24 210.185 1 34.73 ? 82 T 1
+1370 C CA . SER B 2 82 ? 192.159 195.63 210.028 1 34.73 ? 82 T 1
+1371 C C . SER B 2 82 ? 192.316 196.88 209.17 1 34.73 ? 82 T 1
+1372 O O . SER B 2 82 ? 193.166 197.727 209.458 1 34.73 ? 82 T 1
+1373 C CB . SER B 2 82 ? 192.96 194.471 209.428 1 34.73 ? 82 T 1
+1374 O OG . SER B 2 82 ? 192.991 193.362 210.31 1 34.73 ? 82 T 1
+1375 N N . ALA B 2 83 ? 191.505 197.01 208.123 1 27.87 ? 83 T 1
+1376 C CA . ALA B 2 83 ? 191.655 198.125 207.198 1 27.87 ? 83 T 1
+1377 C C . ALA B 2 83 ? 191.38 199.451 207.897 1 27.87 ? 83 T 1
+1378 O O . ALA B 2 83 ? 190.537 199.539 208.793 1 27.87 ? 83 T 1
+1379 C CB . ALA B 2 83 ? 190.717 197.951 206.005 1 27.87 ? 83 T 1
+1380 N N . LYS B 2 84 ? 192.111 200.488 207.48 1 28.33 ? 84 T 1
+1381 C CA . LYS B 2 84 ? 191.979 201.798 208.11 1 28.33 ? 84 T 1
+1382 C C . LYS B 2 84 ? 190.597 202.393 207.88 1 28.33 ? 84 T 1
+1383 O O . LYS B 2 84 ? 190.032 203.013 208.788 1 28.33 ? 84 T 1
+1384 C CB . LYS B 2 84 ? 193.083 202.73 207.591 1 28.33 ? 84 T 1
+1385 C CG . LYS B 2 84 ? 193.174 204.135 208.222 1 28.33 ? 84 T 1
+1386 C CD . LYS B 2 84 ? 192.136 205.128 207.7 1 28.33 ? 84 T 1
+1387 C CE . LYS B 2 84 ? 191.964 206.305 208.647 1 28.33 ? 84 T 1
+1388 N NZ . LYS B 2 84 ? 190.755 207.112 208.318 1 28.33 ? 84 T 1
+1389 N N . TRP B 2 85 ? 190.036 202.217 206.68 1 20.02 ? 85 T 1
+1390 C CA . TRP B 2 85 ? 188.783 202.884 206.342 1 20.02 ? 85 T 1
+1391 C C . TRP B 2 85 ? 187.645 202.463 207.263 1 20.02 ? 85 T 1
+1392 O O . TRP B 2 85 ? 186.664 203.2 207.411 1 20.02 ? 85 T 1
+1393 C CB . TRP B 2 85 ? 188.42 202.607 204.88 1 20.02 ? 85 T 1
+1394 C CG . TRP B 2 85 ? 188.143 201.166 204.571 1 20.02 ? 85 T 1
+1395 C CD1 . TRP B 2 85 ? 188.994 200.281 203.978 1 20.02 ? 85 T 1
+1396 C CD2 . TRP B 2 85 ? 186.927 200.447 204.819 1 20.02 ? 85 T 1
+1397 N NE1 . TRP B 2 85 ? 188.39 199.054 203.853 1 20.02 ? 85 T 1
+1398 C CE2 . TRP B 2 85 ? 187.121 199.131 204.361 1 20.02 ? 85 T 1
+1399 C CE3 . TRP B 2 85 ? 185.697 200.787 205.387 1 20.02 ? 85 T 1
+1400 C CZ2 . TRP B 2 85 ? 186.135 198.158 204.458 1 20.02 ? 85 T 1
+1401 C CZ3 . TRP B 2 85 ? 184.72 199.819 205.482 1 20.02 ? 85 T 1
+1402 C CH2 . TRP B 2 85 ? 184.943 198.521 205.017 1 20.02 ? 85 T 1
+1403 N N . ALA B 2 86 ? 187.753 201.291 207.887 1 22.26 ? 86 T 1
+1404 C CA . ALA B 2 86 ? 186.716 200.773 208.767 1 22.26 ? 86 T 1
+1405 C C . ALA B 2 86 ? 186.886 201.229 210.21 1 22.26 ? 86 T 1
+1406 O O . ALA B 2 86 ? 186.128 200.785 211.081 1 22.26 ? 86 T 1
+1407 C CB . ALA B 2 86 ? 186.684 199.246 208.699 1 22.26 ? 86 T 1
+1408 N N . SER B 2 87 ? 187.857 202.106 210.478 1 29.03 ? 87 T 1
+1409 C CA . SER B 2 87 ? 188.131 202.526 211.849 1 29.03 ? 87 T 1
+1410 C C . SER B 2 87 ? 186.901 203.154 212.492 1 29.03 ? 87 T 1
+1411 O O . SER B 2 87 ? 186.644 202.961 213.687 1 29.03 ? 87 T 1
+1412 C CB . SER B 2 87 ? 189.307 203.503 211.869 1 29.03 ? 87 T 1
+1413 O OG . SER B 2 87 ? 188.99 204.695 211.171 1 29.03 ? 87 T 1
+1414 N N . GLY B 2 88 ? 186.12 203.9 211.708 1 25.85 ? 88 T 1
+1415 C CA . GLY B 2 88 ? 184.925 204.526 212.252 1 25.85 ? 88 T 1
+1416 C C . GLY B 2 88 ? 183.956 203.523 212.846 1 25.85 ? 88 T 1
+1417 O O . GLY B 2 88 ? 183.2 203.847 213.766 1 25.85 ? 88 T 1
+1418 N N . LEU B 2 89 ? 183.964 202.292 212.331 1 20.97 ? 89 T 1
+1419 C CA . LEU B 2 89 ? 183.098 201.258 212.885 1 20.97 ? 89 T 1
+1420 C C . LEU B 2 89 ? 183.486 200.925 214.32 1 20.97 ? 89 T 1
+1421 O O . LEU B 2 89 ? 182.617 200.683 215.165 1 20.97 ? 89 T 1
+1422 C CB . LEU B 2 89 ? 183.151 200.006 212.013 1 20.97 ? 89 T 1
+1423 C CG . LEU B 2 89 ? 182.655 200.179 210.58 1 20.97 ? 89 T 1
+1424 C CD1 . LEU B 2 89 ? 182.949 198.935 209.77 1 20.97 ? 89 T 1
+1425 C CD2 . LEU B 2 89 ? 181.171 200.487 210.569 1 20.97 ? 89 T 1
+1426 N N . THR B 2 90 ? 184.785 200.909 214.615 1 28.47 ? 90 T 1
+1427 C CA . THR B 2 90 ? 185.293 200.529 215.932 1 28.47 ? 90 T 1
+1428 C C . THR B 2 90 ? 186.245 201.603 216.446 1 28.47 ? 90 T 1
+1429 O O . THR B 2 90 ? 187.469 201.413 216.481 1 28.47 ? 90 T 1
+1430 C CB . THR B 2 90 ? 185.942 199.143 215.883 1 28.47 ? 90 T 1
+1431 O OG1 . THR B 2 90 ? 186.474 198.802 217.17 1 28.47 ? 90 T 1
+1432 C CG2 . THR B 2 90 ? 187.017 199.04 214.792 1 28.47 ? 90 T 1
+1433 N N . PRO B 2 91 ? 185.713 202.745 216.883 1 37.93 ? 91 T 1
+1434 C CA . PRO B 2 91 ? 186.566 203.852 217.348 1 37.93 ? 91 T 1
+1435 C C . PRO B 2 91 ? 186.982 203.773 218.813 1 37.93 ? 91 T 1
+1436 O O . PRO B 2 91 ? 187.786 204.608 219.24 1 37.93 ? 91 T 1
+1437 C CB . PRO B 2 91 ? 185.658 205.063 217.118 1 37.93 ? 91 T 1
+1438 C CG . PRO B 2 91 ? 184.271 204.533 217.371 1 37.93 ? 91 T 1
+1439 C CD . PRO B 2 91 ? 184.283 203.044 217.076 1 37.93 ? 91 T 1
+1440 N N . ALA B 2 92 ? 186.469 202.813 219.574 1 53.81 ? 92 T 1
+1441 C CA . ALA B 2 92 ? 186.812 202.66 220.979 1 53.81 ? 92 T 1
+1442 C C . ALA B 2 92 ? 187.926 201.634 221.145 1 53.81 ? 92 T 1
+1443 O O . ALA B 2 92 ? 188.167 200.793 220.275 1 53.81 ? 92 T 1
+1444 C CB . ALA B 2 92 ? 185.586 202.244 221.795 1 53.81 ? 92 T 1
+1445 N N . GLN B 2 93 ? 188.611 201.715 222.285 1 66.52 ? 93 T 1
+1446 C CA . GLN B 2 93 ? 189.711 200.815 222.6 1 66.52 ? 93 T 1
+1447 C C . GLN B 2 93 ? 189.288 199.677 223.52 1 66.52 ? 93 T 1
+1448 O O . GLN B 2 93 ? 190.147 199.029 224.128 1 66.52 ? 93 T 1
+1449 C CB . GLN B 2 93 ? 190.874 201.593 223.218 1 66.52 ? 93 T 1
+1450 C CG . GLN B 2 93 ? 191.553 202.559 222.261 1 66.52 ? 93 T 1
+1451 C CD . GLN B 2 93 ? 192.785 203.206 222.863 1 66.52 ? 93 T 1
+1452 O OE1 . GLN B 2 93 ? 193.157 202.923 224.002 1 66.52 ? 93 T 1
+1453 N NE2 . GLN B 2 93 ? 193.428 204.081 222.097 1 66.52 ? 93 T 1
+1454 N N . ASN B 2 94 ? 187.987 199.425 223.642 1 58.91 ? 94 T 1
+1455 C CA . ASN B 2 94 ? 187.491 198.32 224.446 1 58.91 ? 94 T 1
+1456 C C . ASN B 2 94 ? 186.519 197.491 223.621 1 58.91 ? 94 T 1
+1457 O O . ASN B 2 94 ? 185.66 198.029 222.918 1 58.91 ? 94 T 1
+1458 C CB . ASN B 2 94 ? 186.808 198.812 225.727 1 58.91 ? 94 T 1
+1459 C CG . ASN B 2 94 ? 185.734 199.84 225.453 1 58.91 ? 94 T 1
+1460 O OD1 . ASN B 2 94 ? 186.028 200.974 225.077 1 58.91 ? 94 T 1
+1461 N ND2 . ASN B 2 94 ? 184.479 199.45 225.639 1 58.91 ? 94 T 1
+1462 N N . CYS B 2 95 ? 186.663 196.166 223.72 1 52.41 ? 95 T 1
+1463 C CA . CYS B 2 95 ? 185.816 195.214 223.011 1 52.41 ? 95 T 1
+1464 C C . CYS B 2 95 ? 184.463 195.113 223.693 1 52.41 ? 95 T 1
+1465 O O . CYS B 2 95 ? 184.408 194.945 224.919 1 52.41 ? 95 T 1
+1466 C CB . CYS B 2 95 ? 186.476 193.839 222.964 1 52.41 ? 95 T 1
+1467 S SG . CYS B 2 95 ? 187.936 193.734 221.898 1 52.41 ? 95 T 1
+1468 N N . PRO B 2 96 ? 183.363 195.221 222.949 1 39.51 ? 96 T 1
+1469 C CA . PRO B 2 96 ? 182.038 195.155 223.573 1 39.51 ? 96 T 1
+1470 C C . PRO B 2 96 ? 181.809 193.815 224.257 1 39.51 ? 96 T 1
+1471 O O . PRO B 2 96 ? 182.333 192.782 223.837 1 39.51 ? 96 T 1
+1472 C CB . PRO B 2 96 ? 181.081 195.354 222.393 1 39.51 ? 96 T 1
+1473 C CG . PRO B 2 96 ? 181.899 196.061 221.362 1 39.51 ? 96 T 1
+1474 C CD . PRO B 2 96 ? 183.276 195.491 221.506 1 39.51 ? 96 T 1
+1475 N N . ARG B 2 97 ? 181.021 193.846 225.332 1 49.49 ? 97 T 1
+1476 C CA . ARG B 2 97 ? 180.765 192.636 226.105 1 49.49 ? 97 T 1
+1477 C C . ARG B 2 97 ? 179.766 191.716 225.417 1 49.49 ? 97 T 1
+1478 O O . ARG B 2 97 ? 179.693 190.527 225.748 1 49.49 ? 97 T 1
+1479 C CB . ARG B 2 97 ? 180.264 193.006 227.502 1 49.49 ? 97 T 1
+1480 C CG . ARG B 2 97 ? 180.204 191.839 228.471 1 49.49 ? 97 T 1
+1481 C CD . ARG B 2 97 ? 179.889 192.297 229.881 1 49.49 ? 97 T 1
+1482 N NE . ARG B 2 97 ? 180.079 191.226 230.851 1 49.49 ? 97 T 1
+1483 C CZ . ARG B 2 97 ? 179.119 190.409 231.262 1 49.49 ? 97 T 1
+1484 N NH1 . ARG B 2 97 ? 177.88 190.515 230.81 1 49.49 ? 97 T 1
+1485 N NH2 . ARG B 2 97 ? 179.41 189.462 232.149 1 49.49 ? 97 T 1
+1486 N N . ALA B 2 98 ? 179.005 192.232 224.45 1 31.53 ? 98 T 1
+1487 C CA . ALA B 2 98 ? 177.991 191.42 223.789 1 31.53 ? 98 T 1
+1488 C C . ALA B 2 98 ? 178.595 190.307 222.943 1 31.53 ? 98 T 1
+1489 O O . ALA B 2 98 ? 177.865 189.413 222.504 1 31.53 ? 98 T 1
+1490 C CB . ALA B 2 98 ? 177.093 192.303 222.922 1 31.53 ? 98 T 1
+1491 N N . LEU B 2 99 ? 179.908 190.337 222.707 1 21.36 ? 99 T 1
+1492 C CA . LEU B 2 99 ? 180.581 189.342 221.88 1 21.36 ? 99 T 1
+1493 C C . LEU B 2 99 ? 181.148 188.186 222.694 1 21.36 ? 99 T 1
+1494 O O . LEU B 2 99 ? 182.136 187.566 222.279 1 21.36 ? 99 T 1
+1495 C CB . LEU B 2 99 ? 181.686 190.008 221.063 1 21.36 ? 99 T 1
+1496 C CG . LEU B 2 99 ? 181.213 191.123 220.135 1 21.36 ? 99 T 1
+1497 C CD1 . LEU B 2 99 ? 182.404 191.841 219.549 1 21.36 ? 99 T 1
+1498 C CD2 . LEU B 2 99 ? 180.323 190.572 219.039 1 21.36 ? 99 T 1
+1499 N N . ASP B 2 100 ? 180.557 187.883 223.845 1 23.03 ? 100 T 1
+1500 C CA . ASP B 2 100 ? 180.998 186.758 224.651 1 23.03 ? 100 T 1
+1501 C C . ASP B 2 100 ? 180.585 185.448 223.981 1 23.03 ? 100 T 1
+1502 O O . ASP B 2 100 ? 179.561 185.361 223.298 1 23.03 ? 100 T 1
+1503 C CB . ASP B 2 100 ? 180.431 186.873 226.064 1 23.03 ? 100 T 1
+1504 C CG . ASP B 2 100 ? 180.966 185.807 226.998 1 23.03 ? 100 T 1
+1505 O OD1 . ASP B 2 100 ? 182.14 185.913 227.411 1 23.03 ? 100 T 1
+1506 O OD2 . ASP B 2 100 ? 180.211 184.869 227.326 1 23.03 ? 100 T 1
+1507 N N . GLY B 2 101 ? 181.393 184.409 224.178 1 14.04 ? 101 T 1
+1508 C CA . GLY B 2 101 ? 181.129 183.116 223.585 1 14.04 ? 101 T 1
+1509 C C . GLY B 2 101 ? 181.932 182.879 222.318 1 14.04 ? 101 T 1
+1510 O O . GLY B 2 101 ? 182.66 183.742 221.824 1 14.04 ? 101 T 1
+1511 N N . ALA B 2 102 ? 181.795 181.668 221.786 1 10.5 ? 102 T 1
+1512 C CA . ALA B 2 102 ? 182.523 181.278 220.59 1 10.5 ? 102 T 1
+1513 C C . ALA B 2 102 ? 181.801 181.761 219.336 1 10.5 ? 102 T 1
+1514 O O . ALA B 2 102 ? 180.616 182.099 219.359 1 10.5 ? 102 T 1
+1515 C CB . ALA B 2 102 ? 182.704 179.762 220.539 1 10.5 ? 102 T 1
+1516 N N . TRP B 2 103 ? 182.538 181.79 218.228 1 7.64 ? 103 T 1
+1517 C CA . TRP B 2 103 ? 181.996 182.227 216.951 1 7.64 ? 103 T 1
+1518 C C . TRP B 2 103 ? 182.512 181.32 215.846 1 7.64 ? 103 T 1
+1519 O O . TRP B 2 103 ? 183.706 181.016 215.789 1 7.64 ? 103 T 1
+1520 C CB . TRP B 2 103 ? 182.37 183.679 216.655 1 7.64 ? 103 T 1
+1521 C CG . TRP B 2 103 ? 181.766 184.65 217.609 1 7.64 ? 103 T 1
+1522 C CD1 . TRP B 2 103 ? 182.335 185.14 218.742 1 7.64 ? 103 T 1
+1523 C CD2 . TRP B 2 103 ? 180.475 185.256 217.513 1 7.64 ? 103 T 1
+1524 N NE1 . TRP B 2 103 ? 181.479 186.014 219.361 1 7.64 ? 103 T 1
+1525 C CE2 . TRP B 2 103 ? 180.328 186.101 218.625 1 7.64 ? 103 T 1
+1526 C CE3 . TRP B 2 103 ? 179.428 185.164 216.595 1 7.64 ? 103 T 1
+1527 C CZ2 . TRP B 2 103 ? 179.178 186.849 218.845 1 7.64 ? 103 T 1
+1528 C CZ3 . TRP B 2 103 ? 178.289 185.907 216.815 1 7.64 ? 103 T 1
+1529 C CH2 . TRP B 2 103 ? 178.173 186.739 217.93 1 7.64 ? 103 T 1
+1530 N N . LEU B 2 104 ? 181.606 180.899 214.967 1 8.33 ? 104 T 1
+1531 C CA . LEU B 2 104 ? 181.91 179.943 213.912 1 8.33 ? 104 T 1
+1532 C C . LEU B 2 104 ? 181.528 180.537 212.566 1 8.33 ? 104 T 1
+1533 O O . LEU B 2 104 ? 180.399 181.003 212.39 1 8.33 ? 104 T 1
+1534 C CB . LEU B 2 104 ? 181.161 178.628 214.142 1 8.33 ? 104 T 1
+1535 C CG . LEU B 2 104 ? 181.529 177.886 215.425 1 8.33 ? 104 T 1
+1536 C CD1 . LEU B 2 104 ? 180.415 176.949 215.845 1 8.33 ? 104 T 1
+1537 C CD2 . LEU B 2 104 ? 182.818 177.122 215.231 1 8.33 ? 104 T 1
+1538 N N . MET B 2 105 ? 182.486 180.509 211.63 1 7.7 ? 105 T 1
+1539 C CA . MET B 2 105 ? 182.245 181.039 210.261 1 7.7 ? 105 T 1
+1540 C C . MET B 2 105 ? 181.754 179.895 209.372 1 7.7 ? 105 T 1
+1541 O O . MET B 2 105 ? 182.596 179.086 208.933 1 7.7 ? 105 T 1
+1542 C CB . MET B 2 105 ? 183.528 181.634 209.674 1 7.7 ? 105 T 1
+1543 C CG . MET B 2 105 ? 183.317 182.337 208.348 1 7.7 ? 105 T 1
+1544 S SD . MET B 2 105 ? 184.78 183.27 207.834 1 7.7 ? 105 T 1
+1545 C CE . MET B 2 105 ? 184.983 184.36 209.242 1 7.7 ? 105 T 1
+1546 N N . VAL B 2 106 ? 180.447 179.834 209.123 1 6.43 ? 106 T 1
+1547 C CA . VAL B 2 106 ? 179.847 178.781 208.312 1 6.43 ? 106 T 1
+1548 C C . VAL B 2 106 ? 179.736 179.325 206.894 1 6.43 ? 106 T 1
+1549 O O . VAL B 2 106 ? 178.917 180.203 206.623 1 6.43 ? 106 T 1
+1550 C CB . VAL B 2 106 ? 178.482 178.36 208.857 1 6.43 ? 106 T 1
+1551 C CG1 . VAL B 2 106 ? 177.846 177.33 207.945 1 6.43 ? 106 T 1
+1552 C CG2 . VAL B 2 106 ? 178.615 177.835 210.271 1 6.43 ? 106 T 1
+1553 N N . SER B 2 107 ? 180.549 178.803 205.98 1 8.89 ? 107 T 1
+1554 C CA . SER B 2 107 ? 180.582 179.298 204.603 1 8.89 ? 107 T 1
+1555 C C . SER B 2 107 ? 180.042 178.217 203.674 1 8.89 ? 107 T 1
+1556 O O . SER B 2 107 ? 180.789 177.401 203.136 1 8.89 ? 107 T 1
+1557 C CB . SER B 2 107 ? 181.99 179.718 204.208 1 8.89 ? 107 T 1
+1558 O OG . SER B 2 107 ? 182.036 180.111 202.848 1 8.89 ? 107 T 1
+1559 N N . ILE B 2 108 ? 178.73 178.238 203.464 1 11.85 ? 108 T 1
+1560 C CA . ILE B 2 108 ? 178.064 177.269 202.601 1 11.85 ? 108 T 1
+1561 C C . ILE B 2 108 ? 178.283 177.695 201.154 1 11.85 ? 108 T 1
+1562 O O . ILE B 2 108 ? 177.575 178.561 200.638 1 11.85 ? 108 T 1
+1563 C CB . ILE B 2 108 ? 176.571 177.167 202.927 1 11.85 ? 108 T 1
+1564 C CG1 . ILE B 2 108 ? 176.371 176.664 204.355 1 11.85 ? 108 T 1
+1565 C CG2 . ILE B 2 108 ? 175.884 176.249 201.95 1 11.85 ? 108 T 1
+1566 C CD1 . ILE B 2 108 ? 174.951 176.793 204.847 1 11.85 ? 108 T 1
+1567 N N . SER B 2 109 ? 179.265 177.093 200.496 1 16 ? 109 T 1
+1568 C CA . SER B 2 109 ? 179.638 177.45 199.13 1 16 ? 109 T 1
+1569 C C . SER B 2 109 ? 178.946 176.5 198.157 1 16 ? 109 T 1
+1570 O O . SER B 2 109 ? 179.602 175.735 197.446 1 16 ? 109 T 1
+1571 C CB . SER B 2 109 ? 181.161 177.42 198.957 1 16 ? 109 T 1
+1572 O OG . SER B 2 109 ? 181.529 177.701 197.617 1 16 ? 109 T 1
+1573 N N . SER B 2 110 ? 177.61 176.564 198.138 1 62.1 ? 110 T 1
+1574 C CA . SER B 2 110 ? 176.822 175.714 197.208 1 62.1 ? 110 T 1
+1575 C C . SER B 2 110 ? 176.937 176.278 195.789 1 62.1 ? 110 T 1
+1576 O O . SER B 2 110 ? 177.045 177.513 195.649 1 62.1 ? 110 T 1
+1577 C CB . SER B 2 110 ? 175.383 175.62 197.645 1 62.1 ? 110 T 1
+1578 O OG . SER B 2 110 ? 174.733 176.876 197.522 1 62.1 ? 110 T 1
+1579 N N . PRO B 2 111 ? 176.911 175.434 194.736 1 144.81 ? 111 T 1
+1580 C CA . PRO B 2 111 ? 177.092 175.896 193.35 1 144.81 ? 111 T 1
+1581 C C . PRO B 2 111 ? 176.093 176.955 192.918 1 144.81 ? 111 T 1
+1582 O O . PRO B 2 111 ? 176.348 177.655 191.93 1 144.81 ? 111 T 1
+1583 C CB . PRO B 2 111 ? 176.929 174.611 192.528 1 144.81 ? 111 T 1
+1584 C CG . PRO B 2 111 ? 177.232 173.507 193.485 1 144.81 ? 111 T 1
+1585 C CD . PRO B 2 111 ? 176.703 173.978 194.804 1 144.81 ? 111 T 1
+1586 N N . VAL B 2 112 ? 174.967 177.095 193.612 1 82.83 ? 112 T 1
+1587 C CA . VAL B 2 112 ? 173.933 178.039 193.214 1 82.83 ? 112 T 1
+1588 C C . VAL B 2 112 ? 173.947 179.32 194.042 1 82.83 ? 112 T 1
+1589 O O . VAL B 2 112 ? 173.518 180.367 193.534 1 82.83 ? 112 T 1
+1590 C CB . VAL B 2 112 ? 172.536 177.386 193.268 1 82.83 ? 112 T 1
+1591 C CG1 . VAL B 2 112 ? 171.503 178.254 192.562 1 82.83 ? 112 T 1
+1592 C CG2 . VAL B 2 112 ? 172.579 175.996 192.656 1 82.83 ? 112 T 1
+1593 N N . LEU B 2 113 ? 174.422 179.281 195.287 1 40.25 ? 113 T 1
+1594 C CA . LEU B 2 113 ? 174.454 180.477 196.123 1 40.25 ? 113 T 1
+1595 C C . LEU B 2 113 ? 175.481 180.299 197.229 1 40.25 ? 113 T 1
+1596 O O . LEU B 2 113 ? 175.459 179.292 197.942 1 40.25 ? 113 T 1
+1597 C CB . LEU B 2 113 ? 173.07 180.777 196.708 1 40.25 ? 113 T 1
+1598 C CG . LEU B 2 113 ? 172.36 179.748 197.588 1 40.25 ? 113 T 1
+1599 C CD1 . LEU B 2 113 ? 172.635 180.003 199.061 1 40.25 ? 113 T 1
+1600 C CD2 . LEU B 2 113 ? 170.866 179.765 197.313 1 40.25 ? 113 T 1
+1601 N N . SER B 2 114 ? 176.387 181.262 197.358 1 18.54 ? 114 T 1
+1602 C CA . SER B 2 114 ? 177.337 181.285 198.457 1 18.54 ? 114 T 1
+1603 C C . SER B 2 114 ? 176.652 181.777 199.725 1 18.54 ? 114 T 1
+1604 O O . SER B 2 114 ? 175.472 182.133 199.721 1 18.54 ? 114 T 1
+1605 C CB . SER B 2 114 ? 178.532 182.178 198.128 1 18.54 ? 114 T 1
+1606 O OG . SER B 2 114 ? 179.275 181.653 197.044 1 18.54 ? 114 T 1
+1607 N N . LEU B 2 115 ? 177.413 181.798 200.817 1 5.93 ? 115 T 1
+1608 C CA . LEU B 2 115 ? 176.902 182.232 202.11 1 5.93 ? 115 T 1
+1609 C C . LEU B 2 115 ? 178.058 182.274 203.095 1 5.93 ? 115 T 1
+1610 O O . LEU B 2 115 ? 179.043 181.556 202.923 1 5.93 ? 115 T 1
+1611 C CB . LEU B 2 115 ? 175.803 181.286 202.613 1 5.93 ? 115 T 1
+1612 C CG . LEU B 2 115 ? 174.908 181.752 203.755 1 5.93 ? 115 T 1
+1613 C CD1 . LEU B 2 115 ? 173.482 181.301 203.513 1 5.93 ? 115 T 1
+1614 C CD2 . LEU B 2 115 ? 175.417 181.205 205.07 1 5.93 ? 115 T 1
+1615 N N . SER B 2 116 ? 177.946 183.134 204.107 1 11.82 ? 116 T 1
+1616 C CA . SER B 2 116 ? 178.924 183.149 205.198 1 11.82 ? 116 T 1
+1617 C C . SER B 2 116 ? 178.216 183.675 206.447 1 11.82 ? 116 T 1
+1618 O O . SER B 2 116 ? 178.156 184.883 206.679 1 11.82 ? 116 T 1
+1619 C CB . SER B 2 116 ? 180.141 183.99 204.849 1 11.82 ? 116 T 1
+1620 O OG . SER B 2 116 ? 180.979 183.308 203.935 1 11.82 ? 116 T 1
+1621 N N . SER B 2 117 ? 177.705 182.754 207.253 1 6.97 ? 117 T 1
+1622 C CA . SER B 2 117 ? 177.007 183.116 208.475 1 6.97 ? 117 T 1
+1623 C C . SER B 2 117 ? 177.935 183 209.675 1 6.97 ? 117 T 1
+1624 O O . SER B 2 117 ? 178.923 182.26 209.655 1 6.97 ? 117 T 1
+1625 C CB . SER B 2 117 ? 175.774 182.237 208.681 1 6.97 ? 117 T 1
+1626 O OG . SER B 2 117 ? 176.14 180.881 208.841 1 6.97 ? 117 T 1
+1627 N N . LEU B 2 118 ? 177.614 183.755 210.721 1 5.65 ? 118 T 1
+1628 C CA . LEU B 2 118 ? 178.38 183.739 211.961 1 5.65 ? 118 T 1
+1629 C C . LEU B 2 118 ? 177.52 183.107 213.048 1 5.65 ? 118 T 1
+1630 O O . LEU B 2 118 ? 176.59 183.735 213.56 1 5.65 ? 118 T 1
+1631 C CB . LEU B 2 118 ? 178.814 185.148 212.349 1 5.65 ? 118 T 1
+1632 C CG . LEU B 2 118 ? 180.196 185.595 211.872 1 5.65 ? 118 T 1
+1633 C CD1 . LEU B 2 118 ? 180.375 185.368 210.382 1 5.65 ? 118 T 1
+1634 C CD2 . LEU B 2 118 ? 180.421 187.054 212.215 1 5.65 ? 118 T 1
+1635 N N . LEU B 2 119 ? 177.835 181.867 213.4 1 8.27 ? 119 T 1
+1636 C CA . LEU B 2 119 ? 177.062 181.098 214.362 1 8.27 ? 119 T 1
+1637 C C . LEU B 2 119 ? 177.699 181.21 215.739 1 8.27 ? 119 T 1
+1638 O O . LEU B 2 119 ? 178.872 180.868 215.912 1 8.27 ? 119 T 1
+1639 C CB . LEU B 2 119 ? 176.99 179.631 213.941 1 8.27 ? 119 T 1
+1640 C CG . LEU B 2 119 ? 175.814 179.213 213.062 1 8.27 ? 119 T 1
+1641 C CD1 . LEU B 2 119 ? 175.927 177.749 212.689 1 8.27 ? 119 T 1
+1642 C CD2 . LEU B 2 119 ? 174.516 179.475 213.788 1 8.27 ? 119 T 1
+1643 N N . ARG B 2 120 ? 176.923 181.675 216.718 1 9.88 ? 120 T 1
+1644 C CA . ARG B 2 120 ? 177.379 181.694 218.106 1 9.88 ? 120 T 1
+1645 C C . ARG B 2 120 ? 176.641 180.61 218.883 1 9.88 ? 120 T 1
+1646 O O . ARG B 2 120 ? 175.466 180.773 219.243 1 9.88 ? 120 T 1
+1647 C CB . ARG B 2 120 ? 177.188 183.074 218.746 1 9.88 ? 120 T 1
+1648 C CG . ARG B 2 120 ? 175.779 183.641 218.747 1 9.88 ? 120 T 1
+1649 C CD . ARG B 2 120 ? 175.733 184.915 219.57 1 9.88 ? 120 T 1
+1650 N NE . ARG B 2 120 ? 176.001 184.656 220.98 1 9.88 ? 120 T 1
+1651 C CZ . ARG B 2 120 ? 176.32 185.588 221.866 1 9.88 ? 120 T 1
+1652 N NH1 . ARG B 2 120 ? 176.425 186.861 221.524 1 9.88 ? 120 T 1
+1653 N NH2 . ARG B 2 120 ? 176.544 185.234 223.128 1 9.88 ? 120 T 1
+1654 N N . PRO B 2 121 ? 177.278 179.475 219.15 1 10.62 ? 121 T 1
+1655 C CA . PRO B 2 121 ? 176.558 178.338 219.73 1 10.62 ? 121 T 1
+1656 C C . PRO B 2 121 ? 176.379 178.48 221.233 1 10.62 ? 121 T 1
+1657 O O . PRO B 2 121 ? 176.756 179.473 221.857 1 10.62 ? 121 T 1
+1658 C CB . PRO B 2 121 ? 177.455 177.148 219.389 1 10.62 ? 121 T 1
+1659 C CG . PRO B 2 121 ? 178.815 177.739 219.296 1 10.62 ? 121 T 1
+1660 C CD . PRO B 2 121 ? 178.627 179.1 218.698 1 10.62 ? 121 T 1
+1661 N N . GLN B 2 122 ? 175.779 177.45 221.808 1 20.45 ? 122 T 1
+1662 C CA . GLN B 2 122 ? 175.618 177.317 223.248 1 20.45 ? 122 T 1
+1663 C C . GLN B 2 122 ? 176.776 176.514 223.821 1 20.45 ? 122 T 1
+1664 O O . GLN B 2 122 ? 177.481 175.81 223.094 1 20.45 ? 122 T 1
+1665 C CB . GLN B 2 122 ? 174.273 176.661 223.551 1 20.45 ? 122 T 1
+1666 C CG . GLN B 2 122 ? 173.082 177.433 223.007 1 20.45 ? 122 T 1
+1667 C CD . GLN B 2 122 ? 173.061 178.874 223.475 1 20.45 ? 122 T 1
+1668 O OE1 . GLN B 2 122 ? 173.047 179.801 222.667 1 20.45 ? 122 T 1
+1669 N NE2 . GLN B 2 122 ? 173.054 179.068 224.788 1 20.45 ? 122 T 1
+1670 N N . PRO B 2 123 ? 177.015 176.604 225.135 1 37.99 ? 123 T 1
+1671 C CA . PRO B 2 123 ? 178.228 175.972 225.686 1 37.99 ? 123 T 1
+1672 C C . PRO B 2 123 ? 178.284 174.464 225.512 1 37.99 ? 123 T 1
+1673 O O . PRO B 2 123 ? 179.301 173.946 225.034 1 37.99 ? 123 T 1
+1674 C CB . PRO B 2 123 ? 178.183 176.371 227.169 1 37.99 ? 123 T 1
+1675 C CG . PRO B 2 123 ? 177.336 177.594 227.207 1 37.99 ? 123 T 1
+1676 C CD . PRO B 2 123 ? 176.295 177.381 226.158 1 37.99 ? 123 T 1
+1677 N N . GLU B 2 124 ? 177.23 173.74 225.874 1 48.28 ? 124 T 1
+1678 C CA . GLU B 2 124 ? 177.299 172.288 225.926 1 48.28 ? 124 T 1
+1679 C C . GLU B 2 124 ? 176.204 171.671 225.071 1 48.28 ? 124 T 1
+1680 O O . GLU B 2 124 ? 175.125 172.256 224.917 1 48.28 ? 124 T 1
+1681 C CB . GLU B 2 124 ? 177.169 171.775 227.37 1 48.28 ? 124 T 1
+1682 N N . PRO B 2 125 ? 176.457 170.494 224.498 1 50.22 ? 125 T 1
+1683 C CA . PRO B 2 125 ? 175.406 169.788 223.748 1 50.22 ? 125 T 1
+1684 C C . PRO B 2 125 ? 174.279 169.349 224.668 1 50.22 ? 125 T 1
+1685 O O . PRO B 2 125 ? 174.487 169.094 225.857 1 50.22 ? 125 T 1
+1686 C CB . PRO B 2 125 ? 176.147 168.589 223.142 1 50.22 ? 125 T 1
+1687 C CG . PRO B 2 125 ? 177.37 168.423 223.985 1 50.22 ? 125 T 1
+1688 C CD . PRO B 2 125 ? 177.754 169.8 224.42 1 50.22 ? 125 T 1
+1689 N N . GLN B 2 126 ? 173.075 169.269 224.109 1 63.65 ? 126 T 1
+1690 C CA . GLN B 2 126 ? 171.901 168.836 224.855 1 63.65 ? 126 T 1
+1691 C C . GLN B 2 126 ? 172.081 167.422 225.389 1 63.65 ? 126 T 1
+1692 O O . GLN B 2 126 ? 172.482 166.513 224.655 1 63.65 ? 126 T 1
+1693 C CB . GLN B 2 126 ? 170.663 168.908 223.958 1 63.65 ? 126 T 1
+1694 N N . GLN B 2 127 ? 171.787 167.237 226.678 1 84.45 ? 127 T 1
+1695 C CA . GLN B 2 127 ? 171.93 165.92 227.29 1 84.45 ? 127 T 1
+1696 C C . GLN B 2 127 ? 170.613 165.152 227.258 1 84.45 ? 127 T 1
+1697 O O . GLN B 2 127 ? 170.539 164.052 226.699 1 84.45 ? 127 T 1
+1698 C CB . GLN B 2 127 ? 172.438 166.061 228.725 1 84.45 ? 127 T 1
+1699 N N . GLU B 2 128 ? 169.562 165.714 227.865 1 91.25 ? 128 T 1
+1700 C CA . GLU B 2 128 ? 168.254 165.061 227.844 1 91.25 ? 128 T 1
+1701 C C . GLU B 2 128 ? 167.714 164.892 226.428 1 91.25 ? 128 T 1
+1702 O O . GLU B 2 128 ? 167.249 163.79 226.091 1 91.25 ? 128 T 1
+1703 C CB . GLU B 2 128 ? 167.285 165.826 228.75 1 91.25 ? 128 T 1
+1704 N N . PRO B 2 129 ? 167.737 165.917 225.552 1 79.01 ? 129 T 1
+1705 C CA . PRO B 2 129 ? 167.395 165.663 224.146 1 79.01 ? 129 T 1
+1706 C C . PRO B 2 129 ? 168.561 165.031 223.405 1 79.01 ? 129 T 1
+1707 O O . PRO B 2 129 ? 169.583 164.703 224.017 1 79.01 ? 129 T 1
+1708 C CB . PRO B 2 129 ? 167.063 167.058 223.594 1 79.01 ? 129 T 1
+1709 C CG . PRO B 2 129 ? 167.066 167.986 224.779 1 79.01 ? 129 T 1
+1710 C CD . PRO B 2 129 ? 167.951 167.353 225.793 1 79.01 ? 129 T 1
+1711 N N . VAL B 2 130 ? 168.426 164.899 222.081 1 60.17 ? 130 T 1
+1712 C CA . VAL B 2 130 ? 169.524 164.32 221.249 1 60.17 ? 130 T 1
+1713 C C . VAL B 2 130 ? 170.746 165.243 221.323 1 60.17 ? 130 T 1
+1714 O O . VAL B 2 130 ? 170.586 166.4 221.762 1 60.17 ? 130 T 1
+1715 C CB . VAL B 2 130 ? 169.069 164.104 219.793 1 60.17 ? 130 T 1
+1716 C CG1 . VAL B 2 130 ? 167.948 163.079 219.702 1 60.17 ? 130 T 1
+1717 C CG2 . VAL B 2 130 ? 168.651 165.41 219.136 1 60.17 ? 130 T 1
+1718 N N . LEU B 2 131 ? 171.916 164.751 220.903 1 44.64 ? 131 T 1
+1719 C CA . LEU B 2 131 ? 173.166 165.556 220.986 1 44.64 ? 131 T 1
+1720 C C . LEU B 2 131 ? 173.129 166.688 219.956 1 44.64 ? 131 T 1
+1721 O O . LEU B 2 131 ? 173.693 166.504 218.861 1 44.64 ? 131 T 1
+1722 C CB . LEU B 2 131 ? 174.37 164.639 220.748 1 44.64 ? 131 T 1
+1723 C CG . LEU B 2 131 ? 174.698 163.684 221.894 1 44.64 ? 131 T 1
+1724 C CD1 . LEU B 2 131 ? 175.953 162.881 221.586 1 44.64 ? 131 T 1
+1725 C CD2 . LEU B 2 131 ? 174.864 164.449 223.199 1 44.64 ? 131 T 1
+1726 N N . ILE B 2 132 ? 172.492 167.812 220.297 1 34.05 ? 132 T 1
+1727 C CA . ILE B 2 132 ? 172.463 168.962 219.404 1 34.05 ? 132 T 1
+1728 C C . ILE B 2 132 ? 173.044 170.161 220.141 1 34.05 ? 132 T 1
+1729 O O . ILE B 2 132 ? 172.674 170.433 221.289 1 34.05 ? 132 T 1
+1730 C CB . ILE B 2 132 ? 171.04 169.26 218.887 1 34.05 ? 132 T 1
+1731 C CG1 . ILE B 2 132 ? 170.089 169.605 220.036 1 34.05 ? 132 T 1
+1732 C CG2 . ILE B 2 132 ? 170.504 168.089 218.09 1 34.05 ? 132 T 1
+1733 C CD1 . ILE B 2 132 ? 168.747 170.129 219.577 1 34.05 ? 132 T 1
+1734 N N . THR B 2 133 ? 173.978 170.85 219.496 1 20.45 ? 133 T 1
+1735 C CA . THR B 2 133 ? 174.579 172.058 220.047 1 20.45 ? 133 T 1
+1736 C C . THR B 2 133 ? 173.844 173.259 219.468 1 20.45 ? 133 T 1
+1737 O O . THR B 2 133 ? 174.172 173.722 218.372 1 20.45 ? 133 T 1
+1738 C CB . THR B 2 133 ? 176.069 172.115 219.722 1 20.45 ? 133 T 1
+1739 O OG1 . THR B 2 133 ? 176.702 170.906 220.159 1 20.45 ? 133 T 1
+1740 C CG2 . THR B 2 133 ? 176.72 173.298 220.414 1 20.45 ? 133 T 1
+1741 N N . MET B 2 134 ? 172.847 173.758 220.198 1 14.4 ? 134 T 1
+1742 C CA . MET B 2 134 ? 172.045 174.87 219.706 1 14.4 ? 134 T 1
+1743 C C . MET B 2 134 ? 172.931 176.065 219.378 1 14.4 ? 134 T 1
+1744 O O . MET B 2 134 ? 173.967 176.292 220.008 1 14.4 ? 134 T 1
+1745 C CB . MET B 2 134 ? 170.99 175.271 220.737 1 14.4 ? 134 T 1
+1746 C CG . MET B 2 134 ? 169.934 174.212 220.992 1 14.4 ? 134 T 1
+1747 S SD . MET B 2 134 ? 168.984 173.807 219.515 1 14.4 ? 134 T 1
+1748 C CE . MET B 2 134 ? 168.054 175.319 219.289 1 14.4 ? 134 T 1
+1749 N N . ALA B 2 135 ? 172.516 176.828 218.373 1 6.07 ? 135 T 1
+1750 C CA . ALA B 2 135 ? 173.33 177.926 217.877 1 6.07 ? 135 T 1
+1751 C C . ALA B 2 135 ? 172.415 179.019 217.352 1 6.07 ? 135 T 1
+1752 O O . ALA B 2 135 ? 171.223 178.786 217.139 1 6.07 ? 135 T 1
+1753 C CB . ALA B 2 135 ? 174.287 177.453 216.778 1 6.07 ? 135 T 1
+1754 N N . THR B 2 136 ? 172.976 180.207 217.16 1 5.61 ? 136 T 1
+1755 C CA . THR B 2 136 ? 172.229 181.362 216.686 1 5.61 ? 136 T 1
+1756 C C . THR B 2 136 ? 173.011 182.041 215.573 1 5.61 ? 136 T 1
+1757 O O . THR B 2 136 ? 174.232 182.202 215.677 1 5.61 ? 136 T 1
+1758 C CB . THR B 2 136 ? 171.96 182.347 217.826 1 5.61 ? 136 T 1
+1759 O OG1 . THR B 2 136 ? 171.237 181.682 218.868 1 5.61 ? 136 T 1
+1760 C CG2 . THR B 2 136 ? 171.137 183.529 217.33 1 5.61 ? 136 T 1
+1761 N N . VAL B 2 137 ? 172.305 182.428 214.513 1 7.55 ? 137 T 1
+1762 C CA . VAL B 2 137 ? 172.905 183.156 213.402 1 7.55 ? 137 T 1
+1763 C C . VAL B 2 137 ? 172.849 184.647 213.697 1 7.55 ? 137 T 1
+1764 O O . VAL B 2 137 ? 171.849 185.156 214.216 1 7.55 ? 137 T 1
+1765 C CB . VAL B 2 137 ? 172.179 182.828 212.088 1 7.55 ? 137 T 1
+1766 C CG1 . VAL B 2 137 ? 172.827 183.558 210.937 1 7.55 ? 137 T 1
+1767 C CG2 . VAL B 2 137 ? 172.183 181.343 211.84 1 7.55 ? 137 T 1
+1768 N N . VAL B 2 138 ? 173.924 185.357 213.364 1 6.23 ? 138 T 1
+1769 C CA . VAL B 2 138 ? 173.989 186.789 213.623 1 6.23 ? 138 T 1
+1770 C C . VAL B 2 138 ? 174.089 187.552 212.31 1 6.23 ? 138 T 1
+1771 O O . VAL B 2 138 ? 173.272 188.436 212.034 1 6.23 ? 138 T 1
+1772 C CB . VAL B 2 138 ? 175.164 187.132 214.554 1 6.23 ? 138 T 1
+1773 C CG1 . VAL B 2 138 ? 175.36 188.632 214.62 1 6.23 ? 138 T 1
+1774 C CG2 . VAL B 2 138 ? 174.912 186.57 215.938 1 6.23 ? 138 T 1
+1775 N N . LEU B 2 139 ? 175.08 187.218 211.49 1 5.82 ? 139 T 1
+1776 C CA . LEU B 2 139 ? 175.344 187.932 210.247 1 5.82 ? 139 T 1
+1777 C C . LEU B 2 139 ? 175.413 186.939 209.096 1 5.82 ? 139 T 1
+1778 O O . LEU B 2 139 ? 176.387 186.19 208.979 1 5.82 ? 139 T 1
+1779 C CB . LEU B 2 139 ? 176.645 188.727 210.347 1 5.82 ? 139 T 1
+1780 C CG . LEU B 2 139 ? 177.233 189.257 209.042 1 5.82 ? 139 T 1
+1781 C CD1 . LEU B 2 139 ? 176.275 190.227 208.379 1 5.82 ? 139 T 1
+1782 C CD2 . LEU B 2 139 ? 178.577 189.913 209.294 1 5.82 ? 139 T 1
+1783 N N . THR B 2 140 ? 174.39 186.944 208.245 1 9.27 ? 140 T 1
+1784 C CA . THR B 2 140 ? 174.342 186.093 207.062 1 9.27 ? 140 T 1
+1785 C C . THR B 2 140 ? 174.647 186.938 205.837 1 9.27 ? 140 T 1
+1786 O O . THR B 2 140 ? 174.071 188.012 205.671 1 9.27 ? 140 T 1
+1787 C CB . THR B 2 140 ? 172.973 185.433 206.901 1 9.27 ? 140 T 1
+1788 O OG1 . THR B 2 140 ? 172.731 184.554 208.003 1 9.27 ? 140 T 1
+1789 C CG2 . THR B 2 140 ? 172.913 184.641 205.609 1 9.27 ? 140 T 1
+1790 N N . VAL B 2 141 ? 175.554 186.468 204.992 1 7.88 ? 141 T 1
+1791 C CA . VAL B 2 141 ? 175.939 187.185 203.782 1 7.88 ? 141 T 1
+1792 C C . VAL B 2 141 ? 175.756 186.225 202.614 1 7.88 ? 141 T 1
+1793 O O . VAL B 2 141 ? 176.675 185.476 202.269 1 7.88 ? 141 T 1
+1794 C CB . VAL B 2 141 ? 177.379 187.7 203.864 1 7.88 ? 141 T 1
+1795 C CG1 . VAL B 2 141 ? 177.71 188.537 202.652 1 7.88 ? 141 T 1
+1796 C CG2 . VAL B 2 141 ? 177.586 188.499 205.136 1 7.88 ? 141 T 1
+1797 N N . LEU B 2 142 ? 174.583 186.24 201.984 1 19.14 ? 142 T 1
+1798 C CA . LEU B 2 142 ? 174.267 185.297 200.921 1 19.14 ? 142 T 1
+1799 C C . LEU B 2 142 ? 174.374 185.99 199.57 1 19.14 ? 142 T 1
+1800 O O . LEU B 2 142 ? 173.883 187.111 199.399 1 19.14 ? 142 T 1
+1801 C CB . LEU B 2 142 ? 172.876 184.695 201.124 1 19.14 ? 142 T 1
+1802 C CG . LEU B 2 142 ? 171.624 185.575 201.137 1 19.14 ? 142 T 1
+1803 C CD1 . LEU B 2 142 ? 171.034 185.727 199.747 1 19.14 ? 142 T 1
+1804 C CD2 . LEU B 2 142 ? 170.592 185 202.09 1 19.14 ? 142 T 1
+1805 N N . THR B 2 143 ? 175.037 185.33 198.625 1 37.52 ? 143 T 1
+1806 C CA . THR B 2 143 ? 175.153 185.798 197.249 1 37.52 ? 143 T 1
+1807 C C . THR B 2 143 ? 174.346 184.86 196.362 1 37.52 ? 143 T 1
+1808 O O . THR B 2 143 ? 174.534 183.642 196.409 1 37.52 ? 143 T 1
+1809 C CB . THR B 2 143 ? 176.614 185.837 196.807 1 37.52 ? 143 T 1
+1810 O OG1 . THR B 2 143 ? 177.283 186.93 197.444 1 37.52 ? 143 T 1
+1811 C CG2 . THR B 2 143 ? 176.711 185.987 195.302 1 37.52 ? 143 T 1
+1812 N N . HIS B 2 144 ? 173.452 185.423 195.55 1 20.74 ? 144 T 1
+1813 C CA . HIS B 2 144 ? 172.617 184.595 194.69 1 20.74 ? 144 T 1
+1814 C C . HIS B 2 144 ? 173.297 184.218 193.381 1 20.74 ? 144 T 1
+1815 O O . HIS B 2 144 ? 172.782 183.353 192.665 1 20.74 ? 144 T 1
+1816 C CB . HIS B 2 144 ? 171.3 185.31 194.397 1 20.74 ? 144 T 1
+1817 C CG . HIS B 2 144 ? 170.25 185.085 195.437 1 20.74 ? 144 T 1
+1818 N ND1 . HIS B 2 144 ? 169.794 183.829 195.774 1 20.74 ? 144 T 1
+1819 C CD2 . HIS B 2 144 ? 169.564 185.956 196.215 1 20.74 ? 144 T 1
+1820 C CE1 . HIS B 2 144 ? 168.872 183.936 196.715 1 20.74 ? 144 T 1
+1821 N NE2 . HIS B 2 144 ? 168.714 185.215 197 1 20.74 ? 144 T 1
+1822 N N . THR B 2 145 ? 174.429 184.838 193.048 1 13.33 ? 145 T 1
+1823 C CA . THR B 2 145 ? 175.163 184.526 191.823 1 13.33 ? 145 T 1
+1824 C C . THR B 2 145 ? 176.616 184.256 192.182 1 13.33 ? 145 T 1
+1825 O O . THR B 2 145 ? 177.461 185.159 192.137 1 13.33 ? 145 T 1
+1826 C CB . THR B 2 145 ? 175.06 185.657 190.799 1 13.33 ? 145 T 1
+1827 O OG1 . THR B 2 145 ? 175.59 186.863 191.36 1 13.33 ? 145 T 1
+1828 C CG2 . THR B 2 145 ? 173.615 185.885 190.389 1 13.33 ? 145 T 1
+1829 N N . PRO B 2 146 ? 176.947 183.013 192.544 1 16.27 ? 146 T 1
+1830 C CA . PRO B 2 146 ? 178.325 182.698 192.937 1 16.27 ? 146 T 1
+1831 C C . PRO B 2 146 ? 179.289 182.585 191.772 1 16.27 ? 146 T 1
+1832 O O . PRO B 2 146 ? 180.489 182.404 192.005 1 16.27 ? 146 T 1
+1833 C CB . PRO B 2 146 ? 178.173 181.352 193.651 1 16.27 ? 146 T 1
+1834 C CG . PRO B 2 146 ? 177.037 180.712 192.938 1 16.27 ? 146 T 1
+1835 C CD . PRO B 2 146 ? 176.077 181.828 192.599 1 16.27 ? 146 T 1
+1836 N N . ALA B 2 147 ? 178.812 182.677 190.531 1 14.25 ? 147 T 1
+1837 C CA . ALA B 2 147 ? 179.68 182.64 189.354 1 14.25 ? 147 T 1
+1838 C C . ALA B 2 147 ? 178.953 183.277 188.179 1 14.25 ? 147 T 1
+1839 O O . ALA B 2 147 ? 178.505 182.592 187.254 1 14.25 ? 147 T 1
+1840 C CB . ALA B 2 147 ? 180.099 181.207 189.031 1 14.25 ? 147 T 1
+1841 N N . PRO B 2 148 ? 178.815 184.6 188.186 1 13.92 ? 148 T 1
+1842 C CA . PRO B 2 148 ? 178.171 185.275 187.059 1 13.92 ? 148 T 1
+1843 C C . PRO B 2 148 ? 179.02 185.174 185.804 1 13.92 ? 148 T 1
+1844 O O . PRO B 2 148 ? 180.231 184.952 185.851 1 13.92 ? 148 T 1
+1845 C CB . PRO B 2 148 ? 178.053 186.726 187.535 1 13.92 ? 148 T 1
+1846 C CG . PRO B 2 148 ? 179.159 186.873 188.509 1 13.92 ? 148 T 1
+1847 C CD . PRO B 2 148 ? 179.239 185.556 189.221 1 13.92 ? 148 T 1
+1848 N N . ARG B 2 149 ? 178.355 185.337 184.66 1 14.2 ? 149 T 1
+1849 C CA . ARG B 2 149 ? 179.008 185.25 183.356 1 14.2 ? 149 T 1
+1850 C C . ARG B 2 149 ? 178.498 186.422 182.519 1 14.2 ? 149 T 1
+1851 O O . ARG B 2 149 ? 177.477 186.33 181.834 1 14.2 ? 149 T 1
+1852 C CB . ARG B 2 149 ? 178.736 183.907 182.684 1 14.2 ? 149 T 1
+1853 C CG . ARG B 2 149 ? 179.777 183.512 181.658 1 14.2 ? 149 T 1
+1854 C CD . ARG B 2 149 ? 179.389 182.236 180.936 1 14.2 ? 149 T 1
+1855 N NE . ARG B 2 149 ? 180.334 181.915 179.874 1 14.2 ? 149 T 1
+1856 C CZ . ARG B 2 149 ? 181.465 181.249 180.058 1 14.2 ? 149 T 1
+1857 N NH1 . ARG B 2 149 ? 181.826 180.818 181.256 1 14.2 ? 149 T 1
+1858 N NH2 . ARG B 2 149 ? 182.256 181.012 179.016 1 14.2 ? 149 T 1
+1859 N N . VAL B 2 150 ? 179.219 187.535 182.576 1 10 ? 150 T 1
+1860 C CA . VAL B 2 150 ? 178.801 188.748 181.885 1 10 ? 150 T 1
+1861 C C . VAL B 2 150 ? 179.499 188.832 180.535 1 10 ? 150 T 1
+1862 O O . VAL B 2 150 ? 180.703 188.576 180.423 1 10 ? 150 T 1
+1863 C CB . VAL B 2 150 ? 179.081 189.991 182.745 1 10 ? 150 T 1
+1864 C CG1 . VAL B 2 150 ? 180.572 190.184 182.964 1 10 ? 150 T 1
+1865 C CG2 . VAL B 2 150 ? 178.483 191.221 182.09 1 10 ? 150 T 1
+1866 N N . ARG B 2 151 ? 178.732 189.154 179.497 1 11.23 ? 151 T 1
+1867 C CA . ARG B 2 151 ? 179.312 189.347 178.178 1 11.23 ? 151 T 1
+1868 C C . ARG B 2 151 ? 180.193 190.588 178.18 1 11.23 ? 151 T 1
+1869 O O . ARG B 2 151 ? 179.854 191.601 178.797 1 11.23 ? 151 T 1
+1870 C CB . ARG B 2 151 ? 178.209 189.47 177.127 1 11.23 ? 151 T 1
+1871 C CG . ARG B 2 151 ? 178.712 189.651 175.71 1 11.23 ? 151 T 1
+1872 C CD . ARG B 2 151 ? 177.566 189.691 174.723 1 11.23 ? 151 T 1
+1873 N NE . ARG B 2 151 ? 178.039 189.841 173.352 1 11.23 ? 151 T 1
+1874 C CZ . ARG B 2 151 ? 177.269 189.715 172.279 1 11.23 ? 151 T 1
+1875 N NH1 . ARG B 2 151 ? 175.98 189.437 172.383 1 11.23 ? 151 T 1
+1876 N NH2 . ARG B 2 151 ? 177.807 189.874 171.073 1 11.23 ? 151 T 1
+1877 N N . LEU B 2 152 ? 181.334 190.497 177.501 1 11.04 ? 152 T 1
+1878 C CA . LEU B 2 152 ? 182.293 191.592 177.472 1 11.04 ? 152 T 1
+1879 C C . LEU B 2 152 ? 181.648 192.86 176.928 1 11.04 ? 152 T 1
+1880 O O . LEU B 2 152 ? 180.958 192.832 175.907 1 11.04 ? 152 T 1
+1881 C CB . LEU B 2 152 ? 183.496 191.198 176.615 1 11.04 ? 152 T 1
+1882 C CG . LEU B 2 152 ? 184.774 192.025 176.726 1 11.04 ? 152 T 1
+1883 C CD1 . LEU B 2 152 ? 185.971 191.123 176.508 1 11.04 ? 152 T 1
+1884 C CD2 . LEU B 2 152 ? 184.783 193.168 175.728 1 11.04 ? 152 T 1
+1885 N N . GLY B 2 153 ? 181.875 193.972 177.621 1 11.2 ? 153 T 1
+1886 C CA . GLY B 2 153 ? 181.367 195.266 177.223 1 11.2 ? 153 T 1
+1887 C C . GLY B 2 153 ? 180.187 195.756 178.033 1 11.2 ? 153 T 1
+1888 O O . GLY B 2 153 ? 180.032 196.973 178.198 1 11.2 ? 153 T 1
+1889 N N . GLN B 2 154 ? 179.355 194.857 178.546 1 12.41 ? 154 T 1
+1890 C CA . GLN B 2 154 ? 178.191 195.242 179.322 1 12.41 ? 154 T 1
+1891 C C . GLN B 2 154 ? 178.55 195.309 180.805 1 12.41 ? 154 T 1
+1892 O O . GLN B 2 154 ? 179.719 195.224 181.191 1 12.41 ? 154 T 1
+1893 C CB . GLN B 2 154 ? 177.039 194.272 179.063 1 12.41 ? 154 T 1
+1894 C CG . GLN B 2 154 ? 176.466 194.355 177.664 1 12.41 ? 154 T 1
+1895 C CD . GLN B 2 154 ? 175.248 193.475 177.488 1 12.41 ? 154 T 1
+1896 O OE1 . GLN B 2 154 ? 174.805 192.814 178.427 1 12.41 ? 154 T 1
+1897 N NE2 . GLN B 2 154 ? 174.7 193.459 176.28 1 12.41 ? 154 T 1
+1898 N N . ASP B 2 155 ? 177.535 195.466 181.648 1 9.31 ? 155 T 1
+1899 C CA . ASP B 2 155 ? 177.72 195.597 183.085 1 9.31 ? 155 T 1
+1900 C C . ASP B 2 155 ? 177.32 194.315 183.807 1 9.31 ? 155 T 1
+1901 O O . ASP B 2 155 ? 176.557 193.493 183.295 1 9.31 ? 155 T 1
+1902 C CB . ASP B 2 155 ? 176.92 196.785 183.631 1 9.31 ? 155 T 1
+1903 C CG . ASP B 2 155 ? 175.428 196.654 183.395 1 9.31 ? 155 T 1
+1904 O OD1 . ASP B 2 155 ? 174.996 195.688 182.734 1 9.31 ? 155 T 1
+1905 O OD2 . ASP B 2 155 ? 174.679 197.531 183.871 1 9.31 ? 155 T 1
+1906 N N . ALA B 2 156 ? 177.851 194.159 185.014 1 9.27 ? 156 T 1
+1907 C CA . ALA B 2 156 ? 177.599 192.991 185.838 1 9.27 ? 156 T 1
+1908 C C . ALA B 2 156 ? 176.902 193.41 187.124 1 9.27 ? 156 T 1
+1909 O O . ALA B 2 156 ? 177.084 194.523 187.622 1 9.27 ? 156 T 1
+1910 C CB . ALA B 2 156 ? 178.898 192.246 186.163 1 9.27 ? 156 T 1
+1911 N N . LEU B 2 157 ? 176.096 192.495 187.659 1 7.74 ? 157 T 1
+1912 C CA . LEU B 2 157 ? 175.295 192.744 188.86 1 7.74 ? 157 T 1
+1913 C C . LEU B 2 157 ? 175.604 191.628 189.853 1 7.74 ? 157 T 1
+1914 O O . LEU B 2 157 ? 174.998 190.555 189.802 1 7.74 ? 157 T 1
+1915 C CB . LEU B 2 157 ? 173.813 192.801 188.529 1 7.74 ? 157 T 1
+1916 C CG . LEU B 2 157 ? 172.924 193.43 189.596 1 7.74 ? 157 T 1
+1917 C CD1 . LEU B 2 157 ? 173.172 194.926 189.686 1 7.74 ? 157 T 1
+1918 C CD2 . LEU B 2 157 ? 171.465 193.125 189.317 1 7.74 ? 157 T 1
+1919 N N . LEU B 2 158 ? 176.545 191.887 190.754 1 10.13 ? 158 T 1
+1920 C CA . LEU B 2 158 ? 176.97 190.885 191.729 1 10.13 ? 158 T 1
+1921 C C . LEU B 2 158 ? 176.051 190.97 192.939 1 10.13 ? 158 T 1
+1922 O O . LEU B 2 158 ? 176.25 191.78 193.843 1 10.13 ? 158 T 1
+1923 C CB . LEU B 2 158 ? 178.425 191.1 192.117 1 10.13 ? 158 T 1
+1924 C CG . LEU B 2 158 ? 179.377 191.292 190.94 1 10.13 ? 158 T 1
+1925 C CD1 . LEU B 2 158 ? 180.803 191.409 191.429 1 10.13 ? 158 T 1
+1926 C CD2 . LEU B 2 158 ? 179.24 190.16 189.947 1 10.13 ? 158 T 1
+1927 N N . ASP B 2 159 ? 175.029 190.118 192.955 1 20.08 ? 159 T 1
+1928 C CA . ASP B 2 159 ? 174.061 190.116 194.043 1 20.08 ? 159 T 1
+1929 C C . ASP B 2 159 ? 174.745 189.835 195.371 1 20.08 ? 159 T 1
+1930 O O . ASP B 2 159 ? 175.661 189.014 195.447 1 20.08 ? 159 T 1
+1931 C CB . ASP B 2 159 ? 172.977 189.073 193.772 1 20.08 ? 159 T 1
+1932 C CG . ASP B 2 159 ? 171.847 189.617 192.924 1 20.08 ? 159 T 1
+1933 O OD1 . ASP B 2 159 ? 171.264 188.842 192.138 1 20.08 ? 159 T 1
+1934 O OD2 . ASP B 2 159 ? 171.541 190.82 193.043 1 20.08 ? 159 T 1
+1935 N N . LEU B 2 160 ? 174.309 190.537 196.416 1 10.18 ? 160 T 1
+1936 C CA . LEU B 2 160 ? 174.863 190.398 197.762 1 10.18 ? 160 T 1
+1937 C C . LEU B 2 160 ? 173.811 190.879 198.753 1 10.18 ? 160 T 1
+1938 O O . LEU B 2 160 ? 173.598 192.082 198.902 1 10.18 ? 160 T 1
+1939 C CB . LEU B 2 160 ? 176.153 191.184 197.906 1 10.18 ? 160 T 1
+1940 C CG . LEU B 2 160 ? 176.829 191.015 199.261 1 10.18 ? 160 T 1
+1941 C CD1 . LEU B 2 160 ? 177.508 189.673 199.303 1 10.18 ? 160 T 1
+1942 C CD2 . LEU B 2 160 ? 177.818 192.129 199.528 1 10.18 ? 160 T 1
+1943 N N . SER B 2 161 ? 173.156 189.948 199.433 1 37.52 ? 161 T 1
+1944 C CA . SER B 2 161 ? 172.151 190.3 200.425 1 37.52 ? 161 T 1
+1945 C C . SER B 2 161 ? 172.596 189.788 201.788 1 37.52 ? 161 T 1
+1946 O O . SER B 2 161 ? 172.895 188.601 201.939 1 37.52 ? 161 T 1
+1947 C CB . SER B 2 161 ? 170.794 189.716 200.043 1 37.52 ? 161 T 1
+1948 O OG . SER B 2 161 ? 170.45 190.076 198.717 1 37.52 ? 161 T 1
+1949 N N . PHE B 2 162 ? 172.645 190.673 202.776 1 17.03 ? 162 T 1
+1950 C CA . PHE B 2 162 ? 173.054 190.287 204.116 1 17.03 ? 162 T 1
+1951 C C . PHE B 2 162 ? 171.918 190.532 205.096 1 17.03 ? 162 T 1
+1952 O O . PHE B 2 162 ? 170.994 191.293 204.81 1 17.03 ? 162 T 1
+1953 C CB . PHE B 2 162 ? 174.316 191.036 204.551 1 17.03 ? 162 T 1
+1954 C CG . PHE B 2 162 ? 174.143 192.517 204.656 1 17.03 ? 162 T 1
+1955 C CD1 . PHE B 2 162 ? 173.745 193.101 205.842 1 17.03 ? 162 T 1
+1956 C CD2 . PHE B 2 162 ? 174.386 193.331 203.566 1 17.03 ? 162 T 1
+1957 C CE1 . PHE B 2 162 ? 173.592 194.466 205.937 1 17.03 ? 162 T 1
+1958 C CE2 . PHE B 2 162 ? 174.232 194.697 203.655 1 17.03 ? 162 T 1
+1959 C CZ . PHE B 2 162 ? 173.836 195.265 204.843 1 17.03 ? 162 T 1
+1960 N N . ALA B 2 163 ? 171.979 189.856 206.236 1 10.88 ? 163 T 1
+1961 C CA . ALA B 2 163 ? 170.96 189.952 207.275 1 10.88 ? 163 T 1
+1962 C C . ALA B 2 163 ? 171.656 189.966 208.626 1 10.88 ? 163 T 1
+1963 O O . ALA B 2 163 ? 172.579 189.178 208.86 1 10.88 ? 163 T 1
+1964 C CB . ALA B 2 163 ? 169.966 188.797 207.186 1 10.88 ? 163 T 1
+1965 N N . TYR B 2 164 ? 171.211 190.855 209.507 1 8.95 ? 164 T 1
+1966 C CA . TYR B 2 164 ? 171.807 191.041 210.819 1 8.95 ? 164 T 1
+1967 C C . TYR B 2 164 ? 170.75 191.004 211.911 1 8.95 ? 164 T 1
+1968 O O . TYR B 2 164 ? 169.683 191.617 211.786 1 8.95 ? 164 T 1
+1969 C CB . TYR B 2 164 ? 172.573 192.359 210.887 1 8.95 ? 164 T 1
+1970 C CG . TYR B 2 164 ? 173.229 192.621 212.222 1 8.95 ? 164 T 1
+1971 C CD1 . TYR B 2 164 ? 174.417 192.002 212.567 1 8.95 ? 164 T 1
+1972 C CD2 . TYR B 2 164 ? 172.676 193.518 213.122 1 8.95 ? 164 T 1
+1973 C CE1 . TYR B 2 164 ? 175.028 192.251 213.777 1 8.95 ? 164 T 1
+1974 C CE2 . TYR B 2 164 ? 173.278 193.774 214.334 1 8.95 ? 164 T 1
+1975 C CZ . TYR B 2 164 ? 174.454 193.138 214.657 1 8.95 ? 164 T 1
+1976 O OH . TYR B 2 164 ? 175.06 193.388 215.863 1 8.95 ? 164 T 1
+1977 N N . MET B 2 165 ? 171.066 190.271 212.97 1 13.05 ? 165 T 1
+1978 C CA . MET B 2 165 ? 170.309 190.262 214.22 1 13.05 ? 165 T 1
+1979 C C . MET B 2 165 ? 171.292 190.567 215.337 1 13.05 ? 165 T 1
+1980 O O . MET B 2 165 ? 172.3 189.848 215.477 1 13.05 ? 165 T 1
+1981 C CB . MET B 2 165 ? 169.637 188.909 214.445 1 13.05 ? 165 T 1
+1982 C CG . MET B 2 165 ? 168.709 188.859 215.642 1 13.05 ? 165 T 1
+1983 S SD . MET B 2 165 ? 167.258 189.91 215.473 1 13.05 ? 165 T 1
+1984 C CE . MET B 2 165 ? 166.833 190.172 217.192 1 13.05 ? 165 T 1
+1985 N N . PRO B 2 166 ? 171.073 191.6 216.144 1 16.42 ? 166 T 1
+1986 C CA . PRO B 2 166 ? 172.077 191.982 217.141 1 16.42 ? 166 T 1
+1987 C C . PRO B 2 166 ? 172.245 190.895 218.184 1 16.42 ? 166 T 1
+1988 O O . PRO B 2 166 ? 171.259 190.279 218.614 1 16.42 ? 166 T 1
+1989 C CB . PRO B 2 166 ? 171.509 193.272 217.754 1 16.42 ? 166 T 1
+1990 C CG . PRO B 2 166 ? 170.094 193.387 217.272 1 16.42 ? 166 T 1
+1991 C CD . PRO B 2 166 ? 169.764 192.216 216.407 1 16.42 ? 166 T 1
+1992 N N . PRO B 2 167 ? 173.483 190.616 218.601 1 27.62 ? 167 T 1
+1993 C CA . PRO B 2 167 ? 173.709 189.556 219.591 1 27.62 ? 167 T 1
+1994 C C . PRO B 2 167 ? 172.957 189.814 220.884 1 27.62 ? 167 T 1
+1995 O O . PRO B 2 167 ? 173.227 190.793 221.586 1 27.62 ? 167 T 1
+1996 C CB . PRO B 2 167 ? 175.227 189.592 219.806 1 27.62 ? 167 T 1
+1997 C CG . PRO B 2 167 ? 175.769 190.224 218.573 1 27.62 ? 167 T 1
+1998 C CD . PRO B 2 167 ? 174.742 191.226 218.15 1 27.62 ? 167 T 1
+1999 N N . THR B 2 168 ? 172.008 188.941 221.202 1 45.69 ? 168 T 1
+2000 C CA . THR B 2 168 ? 171.191 189.131 222.391 1 45.69 ? 168 T 1
+2001 C C . THR B 2 168 ? 172.013 188.852 223.641 1 45.69 ? 168 T 1
+2002 O O . THR B 2 168 ? 172.56 187.758 223.809 1 45.69 ? 168 T 1
+2003 C CB . THR B 2 168 ? 169.967 188.219 222.343 1 45.69 ? 168 T 1
+2004 O OG1 . THR B 2 168 ? 170.388 186.862 222.157 1 45.69 ? 168 T 1
+2005 C CG2 . THR B 2 168 ? 169.05 188.621 221.197 1 45.69 ? 168 T 1
+2006 N N . SER B 2 169 ? 172.102 189.849 224.517 1 55.43 ? 169 T 1
+2007 C CA . SER B 2 169 ? 172.835 189.728 225.767 1 55.43 ? 169 T 1
+2008 C C . SER B 2 169 ? 172.044 190.415 226.87 1 55.43 ? 169 T 1
+2009 O O . SER B 2 169 ? 171.04 191.086 226.617 1 55.43 ? 169 T 1
+2010 C CB . SER B 2 169 ? 174.243 190.331 225.661 1 55.43 ? 169 T 1
+2011 N N . GLU B 2 170 ? 172.506 190.231 228.109 1 75.07 ? 170 T 1
+2012 C CA . GLU B 2 170 ? 171.846 190.865 229.246 1 75.07 ? 170 T 1
+2013 C C . GLU B 2 170 ? 171.915 192.384 229.142 1 75.07 ? 170 T 1
+2014 O O . GLU B 2 170 ? 170.931 193.082 229.411 1 75.07 ? 170 T 1
+2015 C CB . GLU B 2 170 ? 172.475 190.382 230.553 1 75.07 ? 170 T 1
+2016 N N . ALA B 2 171 ? 173.071 192.912 228.748 1 80.51 ? 171 T 1
+2017 C CA . ALA B 2 171 ? 173.227 194.353 228.605 1 80.51 ? 171 T 1
+2018 C C . ALA B 2 171 ? 172.782 194.798 227.218 1 80.51 ? 171 T 1
+2019 O O . ALA B 2 171 ? 173.349 194.375 226.206 1 80.51 ? 171 T 1
+2020 C CB . ALA B 2 171 ? 174.68 194.756 228.852 1 80.51 ? 171 T 1
+2021 N N . ALA B 2 172 ? 171.765 195.654 227.173 1 85.43 ? 172 T 1
+2022 C CA . ALA B 2 172 ? 171.222 196.169 225.923 1 85.43 ? 172 T 1
+2023 C C . ALA B 2 172 ? 171.836 197.533 225.638 1 85.43 ? 172 T 1
+2024 O O . ALA B 2 172 ? 171.579 198.498 226.365 1 85.43 ? 172 T 1
+2025 C CB . ALA B 2 172 ? 169.699 196.267 225.989 1 85.43 ? 172 T 1
+2026 N N . SER B 2 173 ? 172.645 197.609 224.586 1 89.78 ? 173 T 1
+2027 C CA . SER B 2 173 ? 173.298 198.848 224.18 1 89.78 ? 173 T 1
+2028 C C . SER B 2 173 ? 172.474 199.514 223.082 1 89.78 ? 173 T 1
+2029 O O . SER B 2 173 ? 172.92 199.685 221.946 1 89.78 ? 173 T 1
+2030 C CB . SER B 2 173 ? 174.733 198.568 223.721 1 89.78 ? 173 T 1
+2031 N N . SER B 2 174 ? 171.253 199.896 223.437 1 80.98 ? 174 T 1
+2032 C CA . SER B 2 174 ? 170.328 200.537 222.502 1 80.98 ? 174 T 1
+2033 C C . SER B 2 174 ? 170.468 202.054 222.536 1 80.98 ? 174 T 1
+2034 O O . SER B 2 174 ? 169.494 202.782 222.725 1 80.98 ? 174 T 1
+2035 C CB . SER B 2 174 ? 168.897 200.114 222.807 1 80.98 ? 174 T 1
+2036 N N . LEU B 2 175 ? 171.697 202.545 222.357 1 83.73 ? 175 T 1
+2037 C CA . LEU B 2 175 ? 171.92 203.987 222.32 1 83.73 ? 175 T 1
+2038 C C . LEU B 2 175 ? 171.229 204.62 221.119 1 83.73 ? 175 T 1
+2039 O O . LEU B 2 175 ? 170.628 205.694 221.232 1 83.73 ? 175 T 1
+2040 C CB . LEU B 2 175 ? 173.419 204.287 222.298 1 83.73 ? 175 T 1
+2041 N N . ALA B 2 176 ? 171.304 203.968 219.962 1 71.17 ? 176 T 1
+2042 C CA . ALA B 2 176 ? 170.655 204.455 218.745 1 71.17 ? 176 T 1
+2043 C C . ALA B 2 176 ? 169.792 203.339 218.182 1 71.17 ? 176 T 1
+2044 O O . ALA B 2 176 ? 170.212 202.592 217.289 1 71.17 ? 176 T 1
+2045 C CB . ALA B 2 176 ? 171.682 204.926 217.715 1 71.17 ? 176 T 1
+2046 N N . PRO B 2 177 ? 168.576 203.18 218.701 1 64.71 ? 177 T 1
+2047 C CA . PRO B 2 177 ? 167.701 202.102 218.224 1 64.71 ? 177 T 1
+2048 C C . PRO B 2 177 ? 167.451 202.209 216.727 1 64.71 ? 177 T 1
+2049 O O . PRO B 2 177 ? 167.007 203.242 216.222 1 64.71 ? 177 T 1
+2050 C CB . PRO B 2 177 ? 166.412 202.306 219.031 1 64.71 ? 177 T 1
+2051 C CG . PRO B 2 177 ? 166.497 203.701 219.57 1 64.71 ? 177 T 1
+2052 C CD . PRO B 2 177 ? 167.95 203.967 219.775 1 64.71 ? 177 T 1
+2053 N N . GLY B 2 178 ? 167.746 201.126 216.018 1 34.43 ? 178 T 1
+2054 C CA . GLY B 2 178 ? 167.644 201.101 214.58 1 34.43 ? 178 T 1
+2055 C C . GLY B 2 178 ? 168.809 200.364 213.956 1 34.43 ? 178 T 1
+2056 O O . GLY B 2 178 ? 169.583 199.688 214.64 1 34.43 ? 178 T 1
+2057 N N . PRO B 2 179 ? 168.962 200.486 212.644 1 24.7 ? 179 T 1
+2058 C CA . PRO B 2 179 ? 170.03 199.766 211.952 1 24.7 ? 179 T 1
+2059 C C . PRO B 2 179 ? 171.386 200.377 212.253 1 24.7 ? 179 T 1
+2060 O O . PRO B 2 179 ? 171.608 201.572 212.011 1 24.7 ? 179 T 1
+2061 C CB . PRO B 2 179 ? 169.658 199.926 210.472 1 24.7 ? 179 T 1
+2062 C CG . PRO B 2 179 ? 168.877 201.19 210.42 1 24.7 ? 179 T 1
+2063 C CD . PRO B 2 179 ? 168.135 201.283 211.722 1 24.7 ? 179 T 1
+2064 N N . PRO B 2 180 ? 172.318 199.59 212.793 1 17.76 ? 180 T 1
+2065 C CA . PRO B 2 180 ? 173.657 200.115 213.035 1 17.76 ? 180 T 1
+2066 C C . PRO B 2 180 ? 174.4 200.31 211.729 1 17.76 ? 180 T 1
+2067 O O . PRO B 2 180 ? 174.134 199.611 210.736 1 17.76 ? 180 T 1
+2068 C CB . PRO B 2 180 ? 174.313 199.021 213.895 1 17.76 ? 180 T 1
+2069 C CG . PRO B 2 180 ? 173.632 197.778 213.46 1 17.76 ? 180 T 1
+2070 C CD . PRO B 2 180 ? 172.207 198.169 213.162 1 17.76 ? 180 T 1
+2071 N N . PRO B 2 181 ? 175.336 201.254 211.672 1 14.96 ? 181 T 1
+2072 C CA . PRO B 2 181 ? 176.13 201.431 210.453 1 14.96 ? 181 T 1
+2073 C C . PRO B 2 181 ? 177.036 200.238 210.201 1 14.96 ? 181 T 1
+2074 O O . PRO B 2 181 ? 177.508 199.579 211.129 1 14.96 ? 181 T 1
+2075 C CB . PRO B 2 181 ? 176.944 202.695 210.743 1 14.96 ? 181 T 1
+2076 C CG . PRO B 2 181 ? 177.044 202.731 212.227 1 14.96 ? 181 T 1
+2077 C CD . PRO B 2 181 ? 175.736 202.196 212.731 1 14.96 ? 181 T 1
+2078 N N . PHE B 2 182 ? 177.279 199.968 208.921 1 9.3 ? 182 T 1
+2079 C CA . PHE B 2 182 ? 178.105 198.849 208.496 1 9.3 ? 182 T 1
+2080 C C . PHE B 2 182 ? 179.07 199.315 207.419 1 9.3 ? 182 T 1
+2081 O O . PHE B 2 182 ? 178.942 200.412 206.874 1 9.3 ? 182 T 1
+2082 C CB . PHE B 2 182 ? 177.255 197.688 207.97 1 9.3 ? 182 T 1
+2083 C CG . PHE B 2 182 ? 176.53 197.991 206.694 1 9.3 ? 182 T 1
+2084 C CD1 . PHE B 2 182 ? 177.081 197.651 205.472 1 9.3 ? 182 T 1
+2085 C CD2 . PHE B 2 182 ? 175.294 198.607 206.715 1 9.3 ? 182 T 1
+2086 C CE1 . PHE B 2 182 ? 176.416 197.924 204.298 1 9.3 ? 182 T 1
+2087 C CE2 . PHE B 2 182 ? 174.625 198.882 205.543 1 9.3 ? 182 T 1
+2088 C CZ . PHE B 2 182 ? 175.187 198.54 204.333 1 9.3 ? 182 T 1
+2089 N N . GLY B 2 183 ? 180.048 198.469 207.114 1 5.09 ? 183 T 1
+2090 C CA . GLY B 2 183 ? 180.97 198.775 206.04 1 5.09 ? 183 T 1
+2091 C C . GLY B 2 183 ? 181.045 197.703 204.975 1 5.09 ? 183 T 1
+2092 O O . GLY B 2 183 ? 181.592 196.623 205.209 1 5.09 ? 183 T 1
+2093 N N . LEU B 2 184 ? 180.512 197.995 203.794 1 4.63 ? 184 T 1
+2094 C CA . LEU B 2 184 ? 180.657 197.093 202.662 1 4.63 ? 184 T 1
+2095 C C . LEU B 2 184 ? 182.019 197.3 202.018 1 4.63 ? 184 T 1
+2096 O O . LEU B 2 184 ? 182.529 198.421 201.963 1 4.63 ? 184 T 1
+2097 C CB . LEU B 2 184 ? 179.543 197.338 201.646 1 4.63 ? 184 T 1
+2098 C CG . LEU B 2 184 ? 179.583 196.569 200.326 1 4.63 ? 184 T 1
+2099 C CD1 . LEU B 2 184 ? 179.711 195.078 200.564 1 4.63 ? 184 T 1
+2100 C CD2 . LEU B 2 184 ? 178.344 196.872 199.503 1 4.63 ? 184 T 1
+2101 N N . GLU B 2 185 ? 182.614 196.214 201.53 1 6.56 ? 185 T 1
+2102 C CA . GLU B 2 185 ? 183.956 196.304 200.951 1 6.56 ? 185 T 1
+2103 C C . GLU B 2 185 ? 184.067 195.257 199.843 1 6.56 ? 185 T 1
+2104 O O . GLU B 2 185 ? 184.105 194.056 200.115 1 6.56 ? 185 T 1
+2105 C CB . GLU B 2 185 ? 185.017 196.101 202.018 1 6.56 ? 185 T 1
+2106 C CG . GLU B 2 185 ? 186.435 196.173 201.507 1 6.56 ? 185 T 1
+2107 C CD . GLU B 2 185 ? 187.413 195.44 202.402 1 6.56 ? 185 T 1
+2108 O OE1 . GLU B 2 185 ? 187.092 194.316 202.84 1 6.56 ? 185 T 1
+2109 O OE2 . GLU B 2 185 ? 188.503 195.989 202.67 1 6.56 ? 185 T 1
+2110 N N . TRP B 2 186 ? 184.121 195.724 198.601 1 5.77 ? 186 T 1
+2111 C CA . TRP B 2 186 ? 184.304 194.804 197.491 1 5.77 ? 186 T 1
+2112 C C . TRP B 2 186 ? 185.762 194.8 197.05 1 5.77 ? 186 T 1
+2113 O O . TRP B 2 186 ? 186.434 195.832 197.04 1 5.77 ? 186 T 1
+2114 C CB . TRP B 2 186 ? 183.392 195.179 196.326 1 5.77 ? 186 T 1
+2115 C CG . TRP B 2 186 ? 181.968 194.772 196.534 1 5.77 ? 186 T 1
+2116 C CD1 . TRP B 2 186 ? 181 195.483 197.175 1 5.77 ? 186 T 1
+2117 C CD2 . TRP B 2 186 ? 181.35 193.558 196.097 1 5.77 ? 186 T 1
+2118 N NE1 . TRP B 2 186 ? 179.818 194.788 197.166 1 5.77 ? 186 T 1
+2119 C CE2 . TRP B 2 186 ? 180.007 193.602 196.509 1 5.77 ? 186 T 1
+2120 C CE3 . TRP B 2 186 ? 181.802 192.438 195.396 1 5.77 ? 186 T 1
+2121 C CZ2 . TRP B 2 186 ? 179.114 192.571 196.246 1 5.77 ? 186 T 1
+2122 C CZ3 . TRP B 2 186 ? 180.913 191.415 195.137 1 5.77 ? 186 T 1
+2123 C CH2 . TRP B 2 186 ? 179.585 191.488 195.56 1 5.77 ? 186 T 1
+2124 N N . ARG B 2 187 ? 186.255 193.619 196.678 1 7.7 ? 187 T 1
+2125 C CA . ARG B 2 187 ? 187.677 193.494 196.389 1 7.7 ? 187 T 1
+2126 C C . ARG B 2 187 ? 187.956 192.408 195.359 1 7.7 ? 187 T 1
+2127 O O . ARG B 2 187 ? 187.558 191.253 195.54 1 7.7 ? 187 T 1
+2128 C CB . ARG B 2 187 ? 188.44 193.204 197.681 1 7.7 ? 187 T 1
+2129 C CG . ARG B 2 187 ? 189.944 193.17 197.532 1 7.7 ? 187 T 1
+2130 C CD . ARG B 2 187 ? 190.603 192.937 198.877 1 7.7 ? 187 T 1
+2131 N NE . ARG B 2 187 ? 190.331 194.023 199.807 1 7.7 ? 187 T 1
+2132 C CZ . ARG B 2 187 ? 191.019 195.154 199.859 1 7.7 ? 187 T 1
+2133 N NH1 . ARG B 2 187 ? 192.031 195.384 199.039 1 7.7 ? 187 T 1
+2134 N NH2 . ARG B 2 187 ? 190.685 196.078 200.755 1 7.7 ? 187 T 1
+2135 N N . ARG B 2 188 ? 188.648 192.767 194.283 1 7.91 ? 188 T 1
+2136 C CA . ARG B 2 188 ? 189.015 191.815 193.246 1 7.91 ? 188 T 1
+2137 C C . ARG B 2 188 ? 190.378 191.214 193.55 1 7.91 ? 188 T 1
+2138 O O . ARG B 2 188 ? 191.32 191.929 193.9 1 7.91 ? 188 T 1
+2139 C CB . ARG B 2 188 ? 189.038 192.494 191.877 1 7.91 ? 188 T 1
+2140 C CG . ARG B 2 188 ? 189.571 191.616 190.763 1 7.91 ? 188 T 1
+2141 C CD . ARG B 2 188 ? 189.338 192.232 189.396 1 7.91 ? 188 T 1
+2142 N NE . ARG B 2 188 ? 190.402 193.155 189.022 1 7.91 ? 188 T 1
+2143 C CZ . ARG B 2 188 ? 190.377 194.46 189.25 1 7.91 ? 188 T 1
+2144 N NH1 . ARG B 2 188 ? 189.342 195.04 189.834 1 7.91 ? 188 T 1
+2145 N NH2 . ARG B 2 188 ? 191.414 195.203 188.877 1 7.91 ? 188 T 1
+2146 N N . GLN B 2 189 ? 190.456 189.879 193.457 1 11.28 ? 189 T 1
+2147 C CA . GLN B 2 189 ? 191.735 189.153 193.689 1 11.28 ? 189 T 1
+2148 C C . GLN B 2 189 ? 191.98 188.255 192.475 1 11.28 ? 189 T 1
+2149 O O . GLN B 2 189 ? 191.611 187.068 192.539 1 11.28 ? 189 T 1
+2150 C CB . GLN B 2 189 ? 191.669 188.345 194.985 1 11.28 ? 189 T 1
+2151 C CG . GLN B 2 189 ? 193.033 187.877 195.473 1 11.28 ? 189 T 1
+2152 C CD . GLN B 2 189 ? 193.924 189.038 195.841 1 11.28 ? 189 T 1
+2153 O OE1 . GLN B 2 189 ? 193.459 190.142 196.112 1 11.28 ? 189 T 1
+2154 N NE2 . GLN B 2 189 ? 195.223 188.791 195.862 1 11.28 ? 189 T 1
+2155 N N . HIS B 2 190 ? 192.582 188.798 191.416 1 11.14 ? 190 T 1
+2156 C CA . HIS B 2 190 ? 192.794 188.073 190.17 1 11.14 ? 190 T 1
+2157 C C . HIS B 2 190 ? 194.287 187.968 189.895 1 11.14 ? 190 T 1
+2158 O O . HIS B 2 190 ? 194.889 188.9 189.353 1 11.14 ? 190 T 1
+2159 C CB . HIS B 2 190 ? 192.079 188.763 189.012 1 11.14 ? 190 T 1
+2160 C CG . HIS B 2 190 ? 192.493 188.262 187.664 1 11.14 ? 190 T 1
+2161 N ND1 . HIS B 2 190 ? 193.253 189.012 186.792 1 11.14 ? 190 T 1
+2162 C CD2 . HIS B 2 190 ? 192.26 187.083 187.04 1 11.14 ? 190 T 1
+2163 C CE1 . HIS B 2 190 ? 193.467 188.319 185.688 1 11.14 ? 190 T 1
+2164 N NE2 . HIS B 2 190 ? 192.875 187.144 185.813 1 11.14 ? 190 T 1
+2165 N N . LEU B 2 191 ? 194.875 186.832 190.258 1 6.72 ? 191 T 1
+2166 C CA . LEU B 2 191 ? 196.266 186.52 189.94 1 6.72 ? 191 T 1
+2167 C C . LEU B 2 191 ? 197.205 187.622 190.42 1 6.72 ? 191 T 1
+2168 O O . LEU B 2 191 ? 197.953 188.225 189.648 1 6.72 ? 191 T 1
+2169 C CB . LEU B 2 191 ? 196.433 186.272 188.443 1 6.72 ? 191 T 1
+2170 C CG . LEU B 2 191 ? 195.711 185.034 187.912 1 6.72 ? 191 T 1
+2171 C CD1 . LEU B 2 191 ? 195.823 184.954 186.399 1 6.72 ? 191 T 1
+2172 C CD2 . LEU B 2 191 ? 196.25 183.773 188.567 1 6.72 ? 191 T 1
+2173 N N . GLY B 2 192 ? 197.169 187.899 191.72 1 7.5 ? 192 T 1
+2174 C CA . GLY B 2 192 ? 198.097 188.9 192.272 1 7.5 ? 192 T 1
+2175 C C . GLY B 2 192 ? 197.812 190.302 191.769 1 7.5 ? 192 T 1
+2176 O O . GLY B 2 192 ? 198.738 190.919 191.217 1 7.5 ? 192 T 1
+2177 N N . LYS B 2 193 ? 196.582 190.79 191.933 1 12.67 ? 193 T 1
+2178 C CA . LYS B 2 193 ? 196.271 192.199 191.583 1 12.67 ? 193 T 1
+2179 C C . LYS B 2 193 ? 195.789 192.87 192.865 1 12.67 ? 193 T 1
+2180 O O . LYS B 2 193 ? 196.43 193.846 193.287 1 12.67 ? 193 T 1
+2181 C CB . LYS B 2 193 ? 195.223 192.273 190.473 1 12.67 ? 193 T 1
+2182 C CG . LYS B 2 193 ? 195.663 191.695 189.135 1 12.67 ? 193 T 1
+2183 C CD . LYS B 2 193 ? 197.036 192.159 188.704 1 12.67 ? 193 T 1
+2184 C CE . LYS B 2 193 ? 197.516 191.481 187.439 1 12.67 ? 193 T 1
+2185 N NZ . LYS B 2 193 ? 198.877 191.928 187.058 1 12.67 ? 193 T 1
+2186 N N . GLY B 2 194 ? 194.716 192.358 193.467 1 18.58 ? 194 T 1
+2187 C CA . GLY B 2 194 ? 194.267 192.871 194.748 1 18.58 ? 194 T 1
+2188 C C . GLY B 2 194 ? 193.911 194.343 194.789 1 18.58 ? 194 T 1
+2189 O O . GLY B 2 194 ? 194.525 195.109 195.537 1 18.58 ? 194 T 1
+2190 N N . HIS B 2 195 ? 192.921 194.755 194.004 1 15 ? 195 T 1
+2191 C CA . HIS B 2 195 ? 192.451 196.133 193.986 1 15 ? 195 T 1
+2192 C C . HIS B 2 195 ? 191.234 196.268 194.888 1 15 ? 195 T 1
+2193 O O . HIS B 2 195 ? 190.368 195.389 194.904 1 15 ? 195 T 1
+2194 C CB . HIS B 2 195 ? 192.099 196.58 192.567 1 15 ? 195 T 1
+2195 C CG . HIS B 2 195 ? 193.289 196.794 191.687 1 15 ? 195 T 1
+2196 N ND1 . HIS B 2 195 ? 193.666 195.895 190.713 1 15 ? 195 T 1
+2197 C CD2 . HIS B 2 195 ? 194.183 197.809 191.629 1 15 ? 195 T 1
+2198 C CE1 . HIS B 2 195 ? 194.743 196.345 190.094 1 15 ? 195 T 1
+2199 N NE2 . HIS B 2 195 ? 195.078 197.504 190.632 1 15 ? 195 T 1
+2200 N N . LEU B 2 196 ? 191.174 197.364 195.639 1 9.95 ? 196 T 1
+2201 C CA . LEU B 2 196 ? 190.008 197.677 196.461 1 9.95 ? 196 T 1
+2202 C C . LEU B 2 196 ? 189.013 198.452 195.611 1 9.95 ? 196 T 1
+2203 O O . LEU B 2 196 ? 189.171 199.653 195.387 1 9.95 ? 196 T 1
+2204 C CB . LEU B 2 196 ? 190.42 198.474 197.692 1 9.95 ? 196 T 1
+2205 C CG . LEU B 2 196 ? 189.265 198.906 198.591 1 9.95 ? 196 T 1
+2206 C CD1 . LEU B 2 196 ? 188.539 197.688 199.101 1 9.95 ? 196 T 1
+2207 C CD2 . LEU B 2 196 ? 189.771 199.751 199.745 1 9.95 ? 196 T 1
+2208 N N . LEU B 2 197 ? 187.978 197.762 195.129 1 8.38 ? 197 T 1
+2209 C CA . LEU B 2 197 ? 187.063 198.38 194.176 1 8.38 ? 197 T 1
+2210 C C . LEU B 2 197 ? 186.218 199.466 194.829 1 8.38 ? 197 T 1
+2211 O O . LEU B 2 197 ? 186.118 200.579 194.299 1 8.38 ? 197 T 1
+2212 C CB . LEU B 2 197 ? 186.181 197.312 193.541 1 8.38 ? 197 T 1
+2213 C CG . LEU B 2 197 ? 186.924 196.475 192.505 1 8.38 ? 197 T 1
+2214 C CD1 . LEU B 2 197 ? 186.039 195.369 191.996 1 8.38 ? 197 T 1
+2215 C CD2 . LEU B 2 197 ? 187.396 197.352 191.363 1 8.38 ? 197 T 1
+2216 N N . LEU B 2 198 ? 185.605 199.171 195.973 1 6.67 ? 198 T 1
+2217 C CA . LEU B 2 198 ? 184.893 200.206 196.707 1 6.67 ? 198 T 1
+2218 C C . LEU B 2 198 ? 184.776 199.799 198.166 1 6.67 ? 198 T 1
+2219 O O . LEU B 2 198 ? 184.672 198.61 198.483 1 6.67 ? 198 T 1
+2220 C CB . LEU B 2 198 ? 183.501 200.478 196.114 1 6.67 ? 198 T 1
+2221 C CG . LEU B 2 198 ? 182.357 199.468 196.22 1 6.67 ? 198 T 1
+2222 C CD1 . LEU B 2 198 ? 181.571 199.621 197.513 1 6.67 ? 198 T 1
+2223 C CD2 . LEU B 2 198 ? 181.43 199.643 195.039 1 6.67 ? 198 T 1
+2224 N N . ALA B 2 199 ? 184.805 200.797 199.042 1 7.26 ? 199 T 1
+2225 C CA . ALA B 2 199 ? 184.543 200.627 200.46 1 7.26 ? 199 T 1
+2226 C C . ALA B 2 199 ? 183.563 201.701 200.896 1 7.26 ? 199 T 1
+2227 O O . ALA B 2 199 ? 183.815 202.894 200.711 1 7.26 ? 199 T 1
+2228 C CB . ALA B 2 199 ? 185.829 200.714 201.285 1 7.26 ? 199 T 1
+2229 N N . ALA B 2 200 ? 182.448 201.277 201.476 1 6.51 ? 200 T 1
+2230 C CA . ALA B 2 200 ? 181.372 202.182 201.839 1 6.51 ? 200 T 1
+2231 C C . ALA B 2 200 ? 180.968 201.953 203.285 1 6.51 ? 200 T 1
+2232 O O . ALA B 2 200 ? 181.041 200.835 203.798 1 6.51 ? 200 T 1
+2233 C CB . ALA B 2 200 ? 180.155 201.999 200.928 1 6.51 ? 200 T 1
+2234 N N . THR B 2 201 ? 180.547 203.03 203.941 1 8.27 ? 201 T 1
+2235 C CA . THR B 2 201 ? 180.063 202.976 205.32 1 8.27 ? 201 T 1
+2236 C C . THR B 2 201 ? 178.731 203.705 205.403 1 8.27 ? 201 T 1
+2237 O O . THR B 2 201 ? 178.659 204.855 205.846 1 8.27 ? 201 T 1
+2238 C CB . THR B 2 201 ? 181.085 203.58 206.285 1 8.27 ? 201 T 1
+2239 O OG1 . THR B 2 201 ? 181.633 204.776 205.716 1 8.27 ? 201 T 1
+2240 C CG2 . THR B 2 201 ? 182.207 202.596 206.563 1 8.27 ? 201 T 1
+2241 N N . PRO B 2 202 ? 177.65 203.066 204.96 1 8.89 ? 202 T 1
+2242 C CA . PRO B 2 202 ? 176.33 203.691 205.076 1 8.89 ? 202 T 1
+2243 C C . PRO B 2 202 ? 175.977 203.966 206.53 1 8.89 ? 202 T 1
+2244 O O . PRO B 2 202 ? 176.328 203.203 207.431 1 8.89 ? 202 T 1
+2245 C CB . PRO B 2 202 ? 175.392 202.65 204.458 1 8.89 ? 202 T 1
+2246 C CG . PRO B 2 202 ? 176.264 201.873 203.535 1 8.89 ? 202 T 1
+2247 C CD . PRO B 2 202 ? 177.591 201.795 204.222 1 8.89 ? 202 T 1
+2248 N N . GLY B 2 203 ? 175.279 205.077 206.752 1 15.35 ? 203 T 1
+2249 C CA . GLY B 2 203 ? 174.913 205.485 208.095 1 15.35 ? 203 T 1
+2250 C C . GLY B 2 203 ? 175.969 206.352 208.746 1 15.35 ? 203 T 1
+2251 O O . GLY B 2 203 ? 175.698 207.49 209.139 1 15.35 ? 203 T 1
+2252 N N . LEU B 2 204 ? 177.179 205.817 208.869 1 20.5 ? 204 T 1
+2253 C CA . LEU B 2 204 ? 178.308 206.576 209.378 1 20.5 ? 204 T 1
+2254 C C . LEU B 2 204 ? 178.853 207.493 208.285 1 20.5 ? 204 T 1
+2255 O O . LEU B 2 204 ? 178.635 207.277 207.09 1 20.5 ? 204 T 1
+2256 C CB . LEU B 2 204 ? 179.387 205.619 209.895 1 20.5 ? 204 T 1
+2257 C CG . LEU B 2 204 ? 180.617 206.129 210.645 1 20.5 ? 204 T 1
+2258 C CD1 . LEU B 2 204 ? 181.051 205.093 211.658 1 20.5 ? 204 T 1
+2259 C CD2 . LEU B 2 204 ? 181.759 206.412 209.687 1 20.5 ? 204 T 1
+2260 N N . ASN B 2 205 ? 179.558 208.54 208.705 1 32.82 ? 205 T 1
+2261 C CA . ASN B 2 205 ? 180.106 209.53 207.788 1 32.82 ? 205 T 1
+2262 C C . ASN B 2 205 ? 181.619 209.588 207.937 1 32.82 ? 205 T 1
+2263 O O . ASN B 2 205 ? 182.135 209.672 209.057 1 32.82 ? 205 T 1
+2264 C CB . ASN B 2 205 ? 179.492 210.91 208.036 1 32.82 ? 205 T 1
+2265 C CG . ASN B 2 205 ? 178.086 211.03 207.479 1 32.82 ? 205 T 1
+2266 O OD1 . ASN B 2 205 ? 177.697 210.286 206.579 1 32.82 ? 205 T 1
+2267 N ND2 . ASN B 2 205 ? 177.317 211.973 208.01 1 32.82 ? 205 T 1
+2268 N N . GLY B 2 206 ? 182.32 209.545 206.81 1 34.81 ? 206 T 1
+2269 C CA . GLY B 2 206 ? 183.77 209.631 206.804 1 34.81 ? 206 T 1
+2270 C C . GLY B 2 206 ? 184.27 209.76 205.384 1 34.81 ? 206 T 1
+2271 O O . GLY B 2 206 ? 183.501 209.693 204.422 1 34.81 ? 206 T 1
+2272 N N . GLN B 2 207 ? 185.584 209.948 205.266 1 34.06 ? 207 T 1
+2273 C CA . GLN B 2 207 ? 186.234 210.079 203.961 1 34.06 ? 207 T 1
+2274 C C . GLN B 2 207 ? 186.623 208.685 203.488 1 34.06 ? 207 T 1
+2275 O O . GLN B 2 207 ? 187.668 208.146 203.853 1 34.06 ? 207 T 1
+2276 C CB . GLN B 2 207 ? 187.44 211.005 204.046 1 34.06 ? 207 T 1
+2277 C CG . GLN B 2 207 ? 188.19 211.164 202.733 1 34.06 ? 207 T 1
+2278 C CD . GLN B 2 207 ? 187.327 211.754 201.636 1 34.06 ? 207 T 1
+2279 O OE1 . GLN B 2 207 ? 186.837 211.039 200.763 1 34.06 ? 207 T 1
+2280 N NE2 . GLN B 2 207 ? 187.14 213.068 201.672 1 34.06 ? 207 T 1
+2281 N N . MET B 2 208 ? 185.764 208.093 202.663 1 32.85 ? 208 T 1
+2282 C CA . MET B 2 208 ? 185.97 206.737 202.187 1 32.85 ? 208 T 1
+2283 C C . MET B 2 208 ? 186.991 206.715 201.052 1 32.85 ? 208 T 1
+2284 O O . MET B 2 208 ? 187.148 207.705 200.332 1 32.85 ? 208 T 1
+2285 C CB . MET B 2 208 ? 184.653 206.144 201.691 1 32.85 ? 208 T 1
+2286 C CG . MET B 2 208 ? 183.58 205.858 202.755 1 32.85 ? 208 T 1
+2287 S SD . MET B 2 208 ? 184.022 205.292 204.418 1 32.85 ? 208 T 1
+2288 C CE . MET B 2 208 ? 185.295 204.07 204.117 1 32.85 ? 208 T 1
+2289 N N . PRO B 2 209 ? 187.708 205.607 200.88 1 27.4 ? 209 T 1
+2290 C CA . PRO B 2 209 ? 188.497 205.43 199.658 1 27.4 ? 209 T 1
+2291 C C . PRO B 2 209 ? 187.602 205.521 198.432 1 27.4 ? 209 T 1
+2292 O O . PRO B 2 209 ? 186.484 205.003 198.418 1 27.4 ? 209 T 1
+2293 C CB . PRO B 2 209 ? 189.092 204.029 199.825 1 27.4 ? 209 T 1
+2294 C CG . PRO B 2 209 ? 189.195 203.851 201.296 1 27.4 ? 209 T 1
+2295 C CD . PRO B 2 209 ? 188.01 204.575 201.886 1 27.4 ? 209 T 1
+2296 N N . ALA B 2 210 ? 188.098 206.197 197.401 1 31.29 ? 210 T 1
+2297 C CA . ALA B 2 210 ? 187.289 206.44 196.215 1 31.29 ? 210 T 1
+2298 C C . ALA B 2 210 ? 186.944 205.131 195.52 1 31.29 ? 210 T 1
+2299 O O . ALA B 2 210 ? 187.804 204.265 195.337 1 31.29 ? 210 T 1
+2300 C CB . ALA B 2 210 ? 188.026 207.374 195.255 1 31.29 ? 210 T 1
+2301 N N . ALA B 2 211 ? 185.675 204.985 195.146 1 20 ? 211 T 1
+2302 C CA . ALA B 2 211 ? 185.25 203.827 194.373 1 20 ? 211 T 1
+2303 C C . ALA B 2 211 ? 185.96 203.813 193.028 1 20 ? 211 T 1
+2304 O O . ALA B 2 211 ? 185.893 204.78 192.265 1 20 ? 211 T 1
+2305 C CB . ALA B 2 211 ? 183.734 203.853 194.177 1 20 ? 211 T 1
+2306 N N . GLN B 2 212 ? 186.639 202.71 192.739 1 12.96 ? 212 T 1
+2307 C CA . GLN B 2 212 ? 187.511 202.61 191.581 1 12.96 ? 212 T 1
+2308 C C . GLN B 2 212 ? 186.792 201.924 190.426 1 12.96 ? 212 T 1
+2309 O O . GLN B 2 212 ? 185.89 201.105 190.623 1 12.96 ? 212 T 1
+2310 C CB . GLN B 2 212 ? 188.793 201.847 191.935 1 12.96 ? 212 T 1
+2311 C CG . GLN B 2 212 ? 189.883 201.921 190.878 1 12.96 ? 212 T 1
+2312 C CD . GLN B 2 212 ? 190.958 200.871 191.071 1 12.96 ? 212 T 1
+2313 O OE1 . GLN B 2 212 ? 191.307 200.146 190.14 1 12.96 ? 212 T 1
+2314 N NE2 . GLN B 2 212 ? 191.492 200.786 192.283 1 12.96 ? 212 T 1
+2315 N N . GLU B 2 213 ? 187.195 202.296 189.209 1 9.85 ? 213 T 1
+2316 C CA . GLU B 2 213 ? 186.755 201.64 187.977 1 9.85 ? 213 T 1
+2317 C C . GLU B 2 213 ? 185.266 201.846 187.716 1 9.85 ? 213 T 1
+2318 O O . GLU B 2 213 ? 184.626 201.036 187.041 1 9.85 ? 213 T 1
+2319 C CB . GLU B 2 213 ? 187.098 200.147 187.998 1 9.85 ? 213 T 1
+2320 C CG . GLU B 2 213 ? 188.595 199.866 187.963 1 9.85 ? 213 T 1
+2321 C CD . GLU B 2 213 ? 188.922 198.386 188.005 1 9.85 ? 213 T 1
+2322 O OE1 . GLU B 2 213 ? 187.992 197.573 188.188 1 9.85 ? 213 T 1
+2323 O OE2 . GLU B 2 213 ? 190.112 198.036 187.864 1 9.85 ? 213 T 1
+2324 N N . GLY B 2 214 ? 184.703 202.932 188.241 1 6.75 ? 214 T 1
+2325 C CA . GLY B 2 214 ? 183.31 203.249 187.984 1 6.75 ? 214 T 1
+2326 C C . GLY B 2 214 ? 182.316 202.397 188.736 1 6.75 ? 214 T 1
+2327 O O . GLY B 2 214 ? 181.129 202.4 188.401 1 6.75 ? 214 T 1
+2328 N N . ALA B 2 215 ? 182.765 201.669 189.752 1 6.25 ? 215 T 1
+2329 C CA . ALA B 2 215 ? 181.89 200.75 190.464 1 6.25 ? 215 T 1
+2330 C C . ALA B 2 215 ? 180.997 201.5 191.442 1 6.25 ? 215 T 1
+2331 O O . ALA B 2 215 ? 181.434 202.451 192.094 1 6.25 ? 215 T 1
+2332 C CB . ALA B 2 215 ? 182.723 199.711 191.205 1 6.25 ? 215 T 1
+2333 N N . VAL B 2 216 ? 179.742 201.066 191.544 1 8.41 ? 216 T 1
+2334 C CA . VAL B 2 216 ? 178.792 201.609 192.511 1 8.41 ? 216 T 1
+2335 C C . VAL B 2 216 ? 178.04 200.448 193.145 1 8.41 ? 216 T 1
+2336 O O . VAL B 2 216 ? 177.731 199.461 192.468 1 8.41 ? 216 T 1
+2337 C CB . VAL B 2 216 ? 177.807 202.608 191.878 1 8.41 ? 216 T 1
+2338 C CG1 . VAL B 2 216 ? 178.553 203.807 191.319 1 8.41 ? 216 T 1
+2339 C CG2 . VAL B 2 216 ? 176.994 201.938 190.787 1 8.41 ? 216 T 1
+2340 N N . ALA B 2 217 ? 177.763 200.552 194.439 1 14.22 ? 217 T 1
+2341 C CA . ALA B 2 217 ? 177.07 199.509 195.179 1 14.22 ? 217 T 1
+2342 C C . ALA B 2 217 ? 175.831 200.078 195.854 1 14.22 ? 217 T 1
+2343 O O . ALA B 2 217 ? 175.88 201.15 196.462 1 14.22 ? 217 T 1
+2344 C CB . ALA B 2 217 ? 177.991 198.882 196.226 1 14.22 ? 217 T 1
+2345 N N . PHE B 2 218 ? 174.723 199.349 195.757 1 4.51 ? 218 T 1
+2346 C CA . PHE B 2 218 ? 173.466 199.767 196.374 1 4.51 ? 218 T 1
+2347 C C . PHE B 2 218 ? 173.415 199.444 197.861 1 4.51 ? 218 T 1
+2348 O O . PHE B 2 218 ? 172.452 198.837 198.332 1 4.51 ? 218 T 1
+2349 C CB . PHE B 2 218 ? 172.296 199.111 195.645 1 4.51 ? 218 T 1
+2350 C CG . PHE B 2 218 ? 172.304 199.316 194.156 1 4.51 ? 218 T 1
+2351 C CD1 . PHE B 2 218 ? 173.016 198.468 193.33 1 4.51 ? 218 T 1
+2352 C CD2 . PHE B 2 218 ? 171.585 200.346 193.582 1 4.51 ? 218 T 1
+2353 C CE1 . PHE B 2 218 ? 173.021 198.647 191.966 1 4.51 ? 218 T 1
+2354 C CE2 . PHE B 2 218 ? 171.587 200.531 192.214 1 4.51 ? 218 T 1
+2355 C CZ . PHE B 2 218 ? 172.306 199.68 191.407 1 4.51 ? 218 T 1
+2356 N N . ALA B 2 219 ? 174.429 199.849 198.622 1 10.05 ? 219 T 1
+2357 C CA . ALA B 2 219 ? 174.54 199.45 200.02 1 10.05 ? 219 T 1
+2358 C C . ALA B 2 219 ? 173.628 200.273 200.919 1 10.05 ? 219 T 1
+2359 O O . ALA B 2 219 ? 173.909 201.444 201.189 1 10.05 ? 219 T 1
+2360 C CB . ALA B 2 219 ? 175.988 199.574 200.495 1 10.05 ? 219 T 1
+2361 N N . ALA B 2 220 ? 172.543 199.663 201.397 1 16.26 ? 220 T 1
+2362 C CA . ALA B 2 220 ? 171.613 200.337 202.293 1 16.26 ? 220 T 1
+2363 C C . ALA B 2 220 ? 170.657 199.343 202.934 1 16.26 ? 220 T 1
+2364 O O . ALA B 2 220 ? 170.158 198.436 202.263 1 16.26 ? 220 T 1
+2365 C CB . ALA B 2 220 ? 170.823 201.411 201.543 1 16.26 ? 220 T 1
+2366 N N . TRP B 2 221 ? 170.401 199.501 204.229 1 37.52 ? 221 T 1
+2367 C CA . TRP B 2 221 ? 169.41 198.677 204.908 1 37.52 ? 221 T 1
+2368 C C . TRP B 2 221 ? 168.049 198.85 204.25 1 37.52 ? 221 T 1
+2369 O O . TRP B 2 221 ? 167.588 199.977 204.052 1 37.52 ? 221 T 1
+2370 C CB . TRP B 2 221 ? 169.33 199.065 206.383 1 37.52 ? 221 T 1
+2371 C CG . TRP B 2 221 ? 170.596 198.87 207.154 1 37.52 ? 221 T 1
+2372 C CD1 . TRP B 2 221 ? 171.47 199.837 207.548 1 37.52 ? 221 T 1
+2373 C CD2 . TRP B 2 221 ? 171.109 197.636 207.664 1 37.52 ? 221 T 1
+2374 N NE1 . TRP B 2 221 ? 172.507 199.28 208.253 1 37.52 ? 221 T 1
+2375 C CE2 . TRP B 2 221 ? 172.307 197.928 208.339 1 37.52 ? 221 T 1
+2376 C CE3 . TRP B 2 221 ? 170.68 196.309 207.602 1 37.52 ? 221 T 1
+2377 C CZ2 . TRP B 2 221 ? 173.076 196.945 208.95 1 37.52 ? 221 T 1
+2378 C CZ3 . TRP B 2 221 ? 171.441 195.338 208.212 1 37.52 ? 221 T 1
+2379 C CH2 . TRP B 2 221 ? 172.627 195.659 208.876 1 37.52 ? 221 T 1
+2380 N N . ASP B 2 222 ? 167.406 197.734 203.907 1 36.46 ? 222 T 1
+2381 C CA . ASP B 2 222 ? 166.056 197.813 203.359 1 36.46 ? 222 T 1
+2382 C C . ASP B 2 222 ? 165.073 198.337 204.398 1 36.46 ? 222 T 1
+2383 O O . ASP B 2 222 ? 164.205 199.16 204.085 1 36.46 ? 222 T 1
+2384 C CB . ASP B 2 222 ? 165.614 196.447 202.838 1 36.46 ? 222 T 1
+2385 C CG . ASP B 2 222 ? 165.949 196.248 201.373 1 36.46 ? 222 T 1
+2386 O OD1 . ASP B 2 222 ? 165.524 195.225 200.798 1 36.46 ? 222 T 1
+2387 O OD2 . ASP B 2 222 ? 166.637 197.116 200.797 1 36.46 ? 222 T 1
+2388 N N . ASP B 2 223 ? 165.194 197.875 205.636 1 34.97 ? 223 T 1
+2389 C CA . ASP B 2 223 ? 164.325 198.293 206.723 1 34.97 ? 223 T 1
+2390 C C . ASP B 2 223 ? 165.012 199.352 207.573 1 34.97 ? 223 T 1
+2391 O O . ASP B 2 223 ? 166.24 199.471 207.589 1 34.97 ? 223 T 1
+2392 C CB . ASP B 2 223 ? 163.93 197.1 207.601 1 34.97 ? 223 T 1
+2393 C CG . ASP B 2 223 ? 163.01 196.13 206.889 1 34.97 ? 223 T 1
+2394 O OD1 . ASP B 2 223 ? 162.248 196.573 206.004 1 34.97 ? 223 T 1
+2395 O OD2 . ASP B 2 223 ? 163.048 194.925 207.216 1 34.97 ? 223 T 1
+2396 N N . ASP B 2 224 ? 164.208 200.1 208.337 1 33.19 ? 224 T 1
+2397 C CA . ASP B 2 224 ? 164.77 201.116 209.269 1 33.19 ? 224 T 1
+2398 C C . ASP B 2 224 ? 164.098 200.932 210.632 1 33.19 ? 224 T 1
+2399 O O . ASP B 2 224 ? 164.155 201.873 211.447 1 33.19 ? 224 T 1
+2400 C CB . ASP B 2 224 ? 164.589 202.534 208.723 1 33.19 ? 224 T 1
+2401 C CG . ASP B 2 224 ? 165.479 202.839 207.53 1 33.19 ? 224 T 1
+2402 O OD1 . ASP B 2 224 ? 166.432 202.07 207.298 1 33.19 ? 224 T 1
+2403 O OD2 . ASP B 2 224 ? 165.206 203.84 206.839 1 33.19 ? 224 T 1
+2404 N N . GLU B 2 225 ? 163.49 199.764 210.868 1 41.61 ? 225 T 1
+2405 C CA . GLU B 2 225 ? 162.792 199.494 212.113 1 41.61 ? 225 T 1
+2406 C C . GLU B 2 225 ? 163.748 199.635 213.289 1 41.61 ? 225 T 1
+2407 O O . GLU B 2 225 ? 164.954 199.419 213.162 1 41.61 ? 225 T 1
+2408 C CB . GLU B 2 225 ? 162.174 198.1 212.069 1 41.61 ? 225 T 1
+2409 C CG . GLU B 2 225 ? 160.977 197.988 211.142 1 41.61 ? 225 T 1
+2410 C CD . GLU B 2 225 ? 160.359 196.606 211.156 1 41.61 ? 225 T 1
+2411 O OE1 . GLU B 2 225 ? 160.943 195.699 211.785 1 41.61 ? 225 T 1
+2412 O OE2 . GLU B 2 225 ? 159.288 196.427 210.539 1 41.61 ? 225 T 1
+2413 N N . PRO B 2 226 ? 163.235 200.011 214.458 1 47.72 ? 226 T 1
+2414 C CA . PRO B 2 226 ? 164.121 200.269 215.602 1 47.72 ? 226 T 1
+2415 C C . PRO B 2 226 ? 164.787 199.026 216.177 1 47.72 ? 226 T 1
+2416 O O . PRO B 2 226 ? 165.922 199.115 216.656 1 47.72 ? 226 T 1
+2417 C CB . PRO B 2 226 ? 163.186 200.925 216.629 1 47.72 ? 226 T 1
+2418 C CG . PRO B 2 226 ? 161.977 201.355 215.857 1 47.72 ? 226 T 1
+2419 C CD . PRO B 2 226 ? 161.838 200.372 214.747 1 47.72 ? 226 T 1
+2420 N N . TRP B 2 227 ? 164.12 197.869 216.15 1 42.12 ? 227 T 1
+2421 C CA . TRP B 2 227 ? 164.714 196.686 216.768 1 42.12 ? 227 T 1
+2422 C C . TRP B 2 227 ? 164.787 195.483 215.836 1 42.12 ? 227 T 1
+2423 O O . TRP B 2 227 ? 165.691 194.653 215.971 1 42.12 ? 227 T 1
+2424 C CB . TRP B 2 227 ? 163.945 196.274 218.026 1 42.12 ? 227 T 1
+2425 C CG . TRP B 2 227 ? 164.051 197.235 219.16 1 42.12 ? 227 T 1
+2426 C CD1 . TRP B 2 227 ? 165.004 197.247 220.135 1 42.12 ? 227 T 1
+2427 C CD2 . TRP B 2 227 ? 163.125 198.274 219.49 1 42.12 ? 227 T 1
+2428 N NE1 . TRP B 2 227 ? 164.756 198.263 221.025 1 42.12 ? 227 T 1
+2429 C CE2 . TRP B 2 227 ? 163.604 198.904 220.655 1 42.12 ? 227 T 1
+2430 C CE3 . TRP B 2 227 ? 161.946 198.743 218.905 1 42.12 ? 227 T 1
+2431 C CZ2 . TRP B 2 227 ? 162.947 199.981 221.245 1 42.12 ? 227 T 1
+2432 C CZ3 . TRP B 2 227 ? 161.296 199.814 219.489 1 42.12 ? 227 T 1
+2433 C CH2 . TRP B 2 227 ? 161.797 200.42 220.648 1 42.12 ? 227 T 1
+2434 N N . GLY B 2 228 ? 163.845 195.372 214.903 1 28.47 ? 228 T 1
+2435 C CA . GLY B 2 228 ? 163.702 194.183 214.094 1 28.47 ? 228 T 1
+2436 C C . GLY B 2 228 ? 164.963 193.809 213.34 1 28.47 ? 228 T 1
+2437 O O . GLY B 2 228 ? 165.772 194.669 212.979 1 28.47 ? 228 T 1
+2438 N N . PRO B 2 229 ? 165.164 192.511 213.113 1 19.03 ? 229 T 1
+2439 C CA . PRO B 2 229 ? 166.326 192.069 212.334 1 19.03 ? 229 T 1
+2440 C C . PRO B 2 229 ? 166.349 192.743 210.972 1 19.03 ? 229 T 1
+2441 O O . PRO B 2 229 ? 165.33 192.831 210.285 1 19.03 ? 229 T 1
+2442 C CB . PRO B 2 229 ? 166.12 190.555 212.211 1 19.03 ? 229 T 1
+2443 C CG . PRO B 2 229 ? 164.691 190.314 212.589 1 19.03 ? 229 T 1
+2444 C CD . PRO B 2 229 ? 164.339 191.381 213.564 1 19.03 ? 229 T 1
+2445 N N . TRP B 2 230 ? 167.524 193.222 210.579 1 21.68 ? 230 T 1
+2446 C CA . TRP B 2 230 ? 167.645 194.107 209.432 1 21.68 ? 230 T 1
+2447 C C . TRP B 2 230 ? 168.296 193.382 208.263 1 21.68 ? 230 T 1
+2448 O O . TRP B 2 230 ? 169.356 192.771 208.413 1 21.68 ? 230 T 1
+2449 C CB . TRP B 2 230 ? 168.459 195.349 209.792 1 21.68 ? 230 T 1
+2450 C CG . TRP B 2 230 ? 168.011 196.029 211.046 1 21.68 ? 230 T 1
+2451 C CD1 . TRP B 2 230 ? 166.953 196.875 211.185 1 21.68 ? 230 T 1
+2452 C CD2 . TRP B 2 230 ? 168.624 195.938 212.336 1 21.68 ? 230 T 1
+2453 N NE1 . TRP B 2 230 ? 166.861 197.308 212.484 1 21.68 ? 230 T 1
+2454 C CE2 . TRP B 2 230 ? 167.879 196.748 213.21 1 21.68 ? 230 T 1
+2455 C CE3 . TRP B 2 230 ? 169.73 195.247 212.837 1 21.68 ? 230 T 1
+2456 C CZ2 . TRP B 2 230 ? 168.199 196.883 214.556 1 21.68 ? 230 T 1
+2457 C CZ3 . TRP B 2 230 ? 170.047 195.384 214.172 1 21.68 ? 230 T 1
+2458 C CH2 . TRP B 2 230 ? 169.286 196.195 215.016 1 21.68 ? 230 T 1
+2459 N N . THR B 2 231 ? 167.621 193.399 207.111 1 18.63 ? 231 T 1
+2460 C CA . THR B 2 231 ? 168.146 192.689 205.914 1 18.63 ? 231 T 1
+2461 C C . THR B 2 231 ? 168.638 193.723 204.9 1 18.63 ? 231 T 1
+2462 O O . THR B 2 231 ? 167.787 194.35 204.239 1 18.63 ? 231 T 1
+2463 C CB . THR B 2 231 ? 167.083 191.762 205.312 1 18.63 ? 231 T 1
+2464 O OG1 . THR B 2 231 ? 165.965 192.562 204.928 1 18.63 ? 231 T 1
+2465 C CG2 . THR B 2 231 ? 166.635 190.683 206.273 1 18.63 ? 231 T 1
+2466 N N . GLY B 2 232 ? 169.958 193.921 204.81 1 4.43 ? 232 T 1
+2467 C CA . GLY B 2 232 ? 170.507 194.974 203.931 1 4.43 ? 232 T 1
+2468 C C . GLY B 2 232 ? 170.724 194.515 202.501 1 4.43 ? 232 T 1
+2469 O O . GLY B 2 232 ? 170.622 193.298 202.249 1 4.43 ? 232 T 1
+2470 N N . ASN B 2 233 ? 171.023 195.456 201.6 1 9.23 ? 233 T 1
+2471 C CA . ASN B 2 233 ? 171.248 195.133 200.166 1 9.23 ? 233 T 1
+2472 C C . ASN B 2 233 ? 172.646 195.629 199.779 1 9.23 ? 233 T 1
+2473 O O . ASN B 2 233 ? 172.946 196.802 200.07 1 9.23 ? 233 T 1
+2474 C CB . ASN B 2 233 ? 170.15 195.751 199.298 1 9.23 ? 233 T 1
+2475 C CG . ASN B 2 233 ? 170.124 195.248 197.87 1 9.23 ? 233 T 1
+2476 O OD1 . ASN B 2 233 ? 171.02 194.525 197.44 1 9.23 ? 233 T 1
+2477 N ND2 . ASN B 2 233 ? 169.094 195.631 197.132 1 9.23 ? 233 T 1
+2478 N N . GLY B 2 234 ? 173.471 194.772 199.168 1 34.82 ? 234 T 1
+2479 C CA . GLY B 2 234 ? 174.858 195.165 198.843 1 34.82 ? 234 T 1
+2480 C C . GLY B 2 234 ? 175.313 194.658 197.485 1 34.82 ? 234 T 1
+2481 O O . GLY B 2 234 ? 176.486 194.249 197.375 1 34.82 ? 234 T 1
+2482 N N . THR B 2 235 ? 174.43 194.695 196.482 1 12.77 ? 235 T 1
+2483 C CA . THR B 2 235 ? 174.795 194.251 195.109 1 12.77 ? 235 T 1
+2484 C C . THR B 2 235 ? 175.914 195.145 194.562 1 12.77 ? 235 T 1
+2485 O O . THR B 2 235 ? 176.035 196.291 195.039 1 12.77 ? 235 T 1
+2486 C CB . THR B 2 235 ? 173.571 194.251 194.185 1 12.77 ? 235 T 1
+2487 O OG1 . THR B 2 235 ? 173.119 195.598 194.05 1 12.77 ? 235 T 1
+2488 C CG2 . THR B 2 235 ? 172.446 193.383 194.703 1 12.77 ? 235 T 1
+2489 N N . PHE B 2 236 ? 176.693 194.641 193.599 1 5.17 ? 236 T 1
+2490 C CA . PHE B 2 236 ? 177.827 195.42 193.033 1 5.17 ? 236 T 1
+2491 C C . PHE B 2 236 ? 177.549 195.708 191.553 1 5.17 ? 236 T 1
+2492 O O . PHE B 2 236 ? 177.469 194.741 190.769 1 5.17 ? 236 T 1
+2493 C CB . PHE B 2 236 ? 179.12 194.627 193.234 1 5.17 ? 236 T 1
+2494 C CG . PHE B 2 236 ? 180.389 195.305 192.784 1 5.17 ? 236 T 1
+2495 C CD1 . PHE B 2 236 ? 181.035 196.216 193.604 1 5.17 ? 236 T 1
+2496 C CD2 . PHE B 2 236 ? 180.953 195.009 191.554 1 5.17 ? 236 T 1
+2497 C CE1 . PHE B 2 236 ? 182.209 196.829 193.195 1 5.17 ? 236 T 1
+2498 C CE2 . PHE B 2 236 ? 182.128 195.622 191.147 1 5.17 ? 236 T 1
+2499 C CZ . PHE B 2 236 ? 182.753 196.531 191.968 1 5.17 ? 236 T 1
+2500 N N . TRP B 2 237 ? 177.407 196.987 191.182 1 12.09 ? 237 T 1
+2501 C CA . TRP B 2 237 ? 177.069 197.321 189.797 1 12.09 ? 237 T 1
+2502 C C . TRP B 2 237 ? 178.331 197.797 189.086 1 12.09 ? 237 T 1
+2503 O O . TRP B 2 237 ? 178.603 198.994 188.998 1 12.09 ? 237 T 1
+2504 C CB . TRP B 2 237 ? 175.969 198.374 189.752 1 12.09 ? 237 T 1
+2505 C CG . TRP B 2 237 ? 175.552 198.762 188.37 1 12.09 ? 237 T 1
+2506 C CD1 . TRP B 2 237 ? 175.857 198.116 187.211 1 12.09 ? 237 T 1
+2507 C CD2 . TRP B 2 237 ? 174.751 199.889 188.001 1 12.09 ? 237 T 1
+2508 N NE1 . TRP B 2 237 ? 175.298 198.77 186.142 1 12.09 ? 237 T 1
+2509 C CE2 . TRP B 2 237 ? 174.613 199.863 186.601 1 12.09 ? 237 T 1
+2510 C CE3 . TRP B 2 237 ? 174.138 200.918 188.718 1 12.09 ? 237 T 1
+2511 C CZ2 . TRP B 2 237 ? 173.887 200.824 185.905 1 12.09 ? 237 T 1
+2512 C CZ3 . TRP B 2 237 ? 173.418 201.872 188.025 1 12.09 ? 237 T 1
+2513 C CH2 . TRP B 2 237 ? 173.298 201.818 186.633 1 12.09 ? 237 T 1
+2514 N N . LEU B 2 238 ? 179.099 196.847 188.557 1 8.48 ? 238 T 1
+2515 C CA . LEU B 2 238 ? 180.314 197.163 187.823 1 8.48 ? 238 T 1
+2516 C C . LEU B 2 238 ? 179.978 197.371 186.358 1 8.48 ? 238 T 1
+2517 O O . LEU B 2 238 ? 179.522 196.423 185.702 1 8.48 ? 238 T 1
+2518 C CB . LEU B 2 238 ? 181.333 196.042 187.973 1 8.48 ? 238 T 1
+2519 C CG . LEU B 2 238 ? 182.701 196.26 187.331 1 8.48 ? 238 T 1
+2520 C CD1 . LEU B 2 238 ? 183.391 197.458 187.952 1 8.48 ? 238 T 1
+2521 C CD2 . LEU B 2 238 ? 183.552 195.014 187.486 1 8.48 ? 238 T 1
+2522 N N . PRO B 2 239 ? 180.179 198.561 185.803 1 9.87 ? 239 T 1
+2523 C CA . PRO B 2 239 ? 179.823 198.807 184.405 1 9.87 ? 239 T 1
+2524 C C . PRO B 2 239 ? 180.98 198.555 183.448 1 9.87 ? 239 T 1
+2525 O O . PRO B 2 239 ? 182.152 198.75 183.774 1 9.87 ? 239 T 1
+2526 C CB . PRO B 2 239 ? 179.444 200.292 184.415 1 9.87 ? 239 T 1
+2527 C CG . PRO B 2 239 ? 180.355 200.875 185.446 1 9.87 ? 239 T 1
+2528 C CD . PRO B 2 239 ? 180.6 199.797 186.485 1 9.87 ? 239 T 1
+2529 N N . ARG B 2 240 ? 180.616 198.121 182.241 1 10.49 ? 240 T 1
+2530 C CA . ARG B 2 240 ? 181.558 197.898 181.143 1 10.49 ? 240 T 1
+2531 C C . ARG B 2 240 ? 182.691 196.959 181.569 1 10.49 ? 240 T 1
+2532 O O . ARG B 2 240 ? 183.861 197.332 181.645 1 10.49 ? 240 T 1
+2533 C CB . ARG B 2 240 ? 182.104 199.23 180.622 1 10.49 ? 240 T 1
+2534 C CG . ARG B 2 240 ? 181.234 199.875 179.556 1 10.49 ? 240 T 1
+2535 C CD . ARG B 2 240 ? 181.355 201.389 179.576 1 10.49 ? 240 T 1
+2536 N NE . ARG B 2 240 ? 180.544 201.989 180.628 1 10.49 ? 240 T 1
+2537 C CZ . ARG B 2 240 ? 179.236 202.191 180.543 1 10.49 ? 240 T 1
+2538 N NH1 . ARG B 2 240 ? 178.552 201.848 179.464 1 10.49 ? 240 T 1
+2539 N NH2 . ARG B 2 240 ? 178.598 202.751 181.566 1 10.49 ? 240 T 1
+2540 N N . VAL B 2 241 ? 182.298 195.719 181.849 1 9.58 ? 241 T 1
+2541 C CA . VAL B 2 241 ? 183.23 194.717 182.358 1 9.58 ? 241 T 1
+2542 C C . VAL B 2 241 ? 184.261 194.413 181.275 1 9.58 ? 241 T 1
+2543 O O . VAL B 2 241 ? 183.942 193.794 180.257 1 9.58 ? 241 T 1
+2544 C CB . VAL B 2 241 ? 182.5 193.445 182.798 1 9.58 ? 241 T 1
+2545 C CG1 . VAL B 2 241 ? 183.467 192.498 183.474 1 9.58 ? 241 T 1
+2546 C CG2 . VAL B 2 241 ? 181.355 193.793 183.726 1 9.58 ? 241 T 1
+2547 N N . GLN B 2 242 ? 185.493 194.877 181.516 1 11.9 ? 242 T 1
+2548 C CA . GLN B 2 242 ? 186.603 194.625 180.561 1 11.9 ? 242 T 1
+2549 C C . GLN B 2 242 ? 187.41 193.427 181.062 1 11.9 ? 242 T 1
+2550 O O . GLN B 2 242 ? 187.313 193.111 182.265 1 11.9 ? 242 T 1
+2551 C CB . GLN B 2 242 ? 187.47 195.876 180.413 1 11.9 ? 242 T 1
+2552 C CG . GLN B 2 242 ? 186.73 197.048 179.785 1 11.9 ? 242 T 1
+2553 C CD . GLN B 2 242 ? 186.212 196.725 178.404 1 11.9 ? 242 T 1
+2554 O OE1 . GLN B 2 242 ? 185.205 197.268 177.956 1 11.9 ? 242 T 1
+2555 N NE2 . GLN B 2 242 ? 186.898 195.826 177.717 1 11.9 ? 242 T 1
+2556 N N . PRO B 2 243 ? 188.197 192.747 180.204 1 15.19 ? 243 T 1
+2557 C CA . PRO B 2 243 ? 188.911 191.519 180.592 1 15.19 ? 243 T 1
+2558 C C . PRO B 2 243 ? 189.757 191.658 181.844 1 15.19 ? 243 T 1
+2559 O O . PRO B 2 243 ? 189.858 190.694 182.613 1 15.19 ? 243 T 1
+2560 C CB . PRO B 2 243 ? 189.778 191.227 179.363 1 15.19 ? 243 T 1
+2561 C CG . PRO B 2 243 ? 189.006 191.791 178.241 1 15.19 ? 243 T 1
+2562 C CD . PRO B 2 243 ? 188.377 193.046 178.773 1 15.19 ? 243 T 1
+2563 N N . PHE B 2 244 ? 190.371 192.818 182.083 1 12.6 ? 244 T 1
+2564 C CA . PHE B 2 244 ? 191.207 192.955 183.269 1 12.6 ? 244 T 1
+2565 C C . PHE B 2 244 ? 190.397 192.983 184.556 1 12.6 ? 244 T 1
+2566 O O . PHE B 2 244 ? 190.988 192.917 185.638 1 12.6 ? 244 T 1
+2567 C CB . PHE B 2 244 ? 192.081 194.21 183.171 1 12.6 ? 244 T 1
+2568 C CG . PHE B 2 244 ? 191.339 195.495 183.4 1 12.6 ? 244 T 1
+2569 C CD1 . PHE B 2 244 ? 190.712 196.144 182.351 1 12.6 ? 244 T 1
+2570 C CD2 . PHE B 2 244 ? 191.291 196.069 184.659 1 12.6 ? 244 T 1
+2571 C CE1 . PHE B 2 244 ? 190.037 197.33 182.558 1 12.6 ? 244 T 1
+2572 C CE2 . PHE B 2 244 ? 190.617 197.254 184.871 1 12.6 ? 244 T 1
+2573 C CZ . PHE B 2 244 ? 189.989 197.885 183.819 1 12.6 ? 244 T 1
+2574 N N . GLN B 2 245 ? 189.071 193.082 184.469 1 10.64 ? 245 T 1
+2575 C CA . GLN B 2 245 ? 188.2 193.026 185.632 1 10.64 ? 245 T 1
+2576 C C . GLN B 2 245 ? 187.704 191.613 185.916 1 10.64 ? 245 T 1
+2577 O O . GLN B 2 245 ? 186.877 191.421 186.811 1 10.64 ? 245 T 1
+2578 C CB . GLN B 2 245 ? 187.021 193.984 185.456 1 10.64 ? 245 T 1
+2579 C CG . GLN B 2 245 ? 187.438 195.403 185.109 1 10.64 ? 245 T 1
+2580 C CD . GLN B 2 245 ? 186.258 196.329 184.917 1 10.64 ? 245 T 1
+2581 O OE1 . GLN B 2 245 ? 185.123 195.882 184.776 1 10.64 ? 245 T 1
+2582 N NE2 . GLN B 2 245 ? 186.522 197.629 184.905 1 10.64 ? 245 T 1
+2583 N N . GLU B 2 246 ? 188.184 190.626 185.167 1 15.18 ? 246 T 1
+2584 C CA . GLU B 2 246 ? 187.868 189.234 185.448 1 15.18 ? 246 T 1
+2585 C C . GLU B 2 246 ? 188.569 188.792 186.726 1 15.18 ? 246 T 1
+2586 O O . GLU B 2 246 ? 189.636 189.305 187.071 1 15.18 ? 246 T 1
+2587 C CB . GLU B 2 246 ? 188.295 188.352 184.273 1 15.18 ? 246 T 1
+2588 C CG . GLU B 2 246 ? 187.94 186.882 184.409 1 15.18 ? 246 T 1
+2589 C CD . GLU B 2 246 ? 188.464 186.05 183.256 1 15.18 ? 246 T 1
+2590 O OE1 . GLU B 2 246 ? 189.177 186.608 182.398 1 15.18 ? 246 T 1
+2591 O OE2 . GLU B 2 246 ? 188.163 184.839 183.206 1 15.18 ? 246 T 1
+2592 N N . GLY B 2 247 ? 187.962 187.844 187.435 1 12.57 ? 247 T 1
+2593 C CA . GLY B 2 247 ? 188.553 187.321 188.652 1 12.57 ? 247 T 1
+2594 C C . GLY B 2 247 ? 187.548 187.167 189.772 1 12.57 ? 247 T 1
+2595 O O . GLY B 2 247 ? 186.37 187.484 189.594 1 12.57 ? 247 T 1
+2596 N N . THR B 2 248 ? 187.99 186.682 190.929 1 7.65 ? 248 T 1
+2597 C CA . THR B 2 248 ? 187.089 186.487 192.059 1 7.65 ? 248 T 1
+2598 C C . THR B 2 248 ? 186.882 187.81 192.785 1 7.65 ? 248 T 1
+2599 O O . THR B 2 248 ? 187.844 188.529 193.073 1 7.65 ? 248 T 1
+2600 C CB . THR B 2 248 ? 187.628 185.417 193.006 1 7.65 ? 248 T 1
+2601 O OG1 . THR B 2 248 ? 186.773 185.315 194.151 1 7.65 ? 248 T 1
+2602 C CG2 . THR B 2 248 ? 189.036 185.737 193.458 1 7.65 ? 248 T 1
+2603 N N . TYR B 2 249 ? 185.624 188.137 193.066 1 6.98 ? 249 T 1
+2604 C CA . TYR B 2 249 ? 185.242 189.406 193.679 1 6.98 ? 249 T 1
+2605 C C . TYR B 2 249 ? 184.735 189.112 195.085 1 6.98 ? 249 T 1
+2606 O O . TYR B 2 249 ? 183.544 188.897 195.304 1 6.98 ? 249 T 1
+2607 C CB . TYR B 2 249 ? 184.177 190.111 192.855 1 6.98 ? 249 T 1
+2608 C CG . TYR B 2 249 ? 184.7 190.849 191.653 1 6.98 ? 249 T 1
+2609 C CD1 . TYR B 2 249 ? 185.653 190.282 190.829 1 6.98 ? 249 T 1
+2610 C CD2 . TYR B 2 249 ? 184.227 192.109 191.334 1 6.98 ? 249 T 1
+2611 C CE1 . TYR B 2 249 ? 186.127 190.949 189.73 1 6.98 ? 249 T 1
+2612 C CE2 . TYR B 2 249 ? 184.691 192.782 190.233 1 6.98 ? 249 T 1
+2613 C CZ . TYR B 2 249 ? 185.645 192.2 189.437 1 6.98 ? 249 T 1
+2614 O OH . TYR B 2 249 ? 186.116 192.871 188.335 1 6.98 ? 249 T 1
+2615 N N . LEU B 2 250 ? 185.647 189.114 196.049 1 7.05 ? 250 T 1
+2616 C CA . LEU B 2 250 ? 185.211 188.851 197.407 1 7.05 ? 250 T 1
+2617 C C . LEU B 2 250 ? 184.647 190.12 198.038 1 7.05 ? 250 T 1
+2618 O O . LEU B 2 250 ? 185.227 191.207 197.961 1 7.05 ? 250 T 1
+2619 C CB . LEU B 2 250 ? 186.354 188.272 198.241 1 7.05 ? 250 T 1
+2620 C CG . LEU B 2 250 ? 187.654 189.047 198.425 1 7.05 ? 250 T 1
+2621 C CD1 . LEU B 2 250 ? 187.621 189.882 199.694 1 7.05 ? 250 T 1
+2622 C CD2 . LEU B 2 250 ? 188.818 188.079 198.444 1 7.05 ? 250 T 1
+2623 N N . ALA B 2 251 ? 183.48 189.968 198.653 1 4.07 ? 251 T 1
+2624 C CA . ALA B 2 251 ? 182.759 191.069 199.267 1 4.07 ? 251 T 1
+2625 C C . ALA B 2 251 ? 182.66 190.804 200.755 1 4.07 ? 251 T 1
+2626 O O . ALA B 2 251 ? 182.285 189.702 201.167 1 4.07 ? 251 T 1
+2627 C CB . ALA B 2 251 ? 181.361 191.224 198.667 1 4.07 ? 251 T 1
+2628 N N . THR B 2 252 ? 183 191.81 201.55 1 3.14 ? 252 T 1
+2629 C CA . THR B 2 252 ? 182.991 191.706 202.998 1 3.14 ? 252 T 1
+2630 C C . THR B 2 252 ? 182.01 192.716 203.572 1 3.14 ? 252 T 1
+2631 O O . THR B 2 252 ? 182.067 193.905 203.239 1 3.14 ? 252 T 1
+2632 C CB . THR B 2 252 ? 184.386 191.946 203.576 1 3.14 ? 252 T 1
+2633 O OG1 . THR B 2 252 ? 185.297 190.978 203.044 1 3.14 ? 252 T 1
+2634 C CG2 . THR B 2 252 ? 184.357 191.811 205.085 1 3.14 ? 252 T 1
+2635 N N . ILE B 2 253 ? 181.11 192.235 204.423 1 3.14 ? 253 T 1
+2636 C CA . ILE B 2 253 ? 180.259 193.089 205.239 1 3.14 ? 253 T 1
+2637 C C . ILE B 2 253 ? 180.977 193.252 206.573 1 3.14 ? 253 T 1
+2638 O O . ILE B 2 253 ? 181.216 192.276 207.287 1 3.14 ? 253 T 1
+2639 C CB . ILE B 2 253 ? 178.862 192.499 205.418 1 3.14 ? 253 T 1
+2640 C CG1 . ILE B 2 253 ? 178.125 192.458 204.082 1 3.14 ? 253 T 1
+2641 C CG2 . ILE B 2 253 ? 178.076 193.303 206.433 1 3.14 ? 253 T 1
+2642 C CD1 . ILE B 2 253 ? 178.008 193.805 203.426 1 3.14 ? 253 T 1
+2643 N N . HIS B 2 254 ? 181.341 194.49 206.894 1 3.78 ? 254 T 1
+2644 C CA . HIS B 2 254 ? 182.002 194.809 208.15 1 3.78 ? 254 T 1
+2645 C C . HIS B 2 254 ? 180.974 195.358 209.129 1 3.78 ? 254 T 1
+2646 O O . HIS B 2 254 ? 180.22 196.278 208.797 1 3.78 ? 254 T 1
+2647 C CB . HIS B 2 254 ? 183.122 195.825 207.941 1 3.78 ? 254 T 1
+2648 C CG . HIS B 2 254 ? 184.315 195.277 207.225 1 3.78 ? 254 T 1
+2649 N ND1 . HIS B 2 254 ? 185.412 194.771 207.887 1 3.78 ? 254 T 1
+2650 C CD2 . HIS B 2 254 ? 184.592 195.173 205.904 1 3.78 ? 254 T 1
+2651 C CE1 . HIS B 2 254 ? 186.309 194.37 207.006 1 3.78 ? 254 T 1
+2652 N NE2 . HIS B 2 254 ? 185.837 194.605 205.795 1 3.78 ? 254 T 1
+2653 N N . LEU B 2 255 ? 180.945 194.791 210.318 1 3.33 ? 255 T 1
+2654 C CA . LEU B 2 255 ? 180.116 195.213 211.433 1 3.33 ? 255 T 1
+2655 C C . LEU B 2 255 ? 181.05 195.399 212.618 1 3.33 ? 255 T 1
+2656 O O . LEU B 2 255 ? 182.215 194.986 212.537 1 3.33 ? 255 T 1
+2657 C CB . LEU B 2 255 ? 179.044 194.165 211.712 1 3.33 ? 255 T 1
+2658 C CG . LEU B 2 255 ? 178.029 194.021 210.588 1 3.33 ? 255 T 1
+2659 C CD1 . LEU B 2 255 ? 177.104 192.875 210.871 1 3.33 ? 255 T 1
+2660 C CD2 . LEU B 2 255 ? 177.238 195.303 210.501 1 3.33 ? 255 T 1
+2661 N N . PRO B 2 256 ? 180.613 196.027 213.717 1 3.08 ? 256 T 1
+2662 C CA . PRO B 2 256 ? 181.499 196.124 214.882 1 3.08 ? 256 T 1
+2663 C C . PRO B 2 256 ? 182.051 194.766 215.279 1 3.08 ? 256 T 1
+2664 O O . PRO B 2 256 ? 181.328 193.915 215.806 1 3.08 ? 256 T 1
+2665 C CB . PRO B 2 256 ? 180.585 196.706 215.964 1 3.08 ? 256 T 1
+2666 C CG . PRO B 2 256 ? 179.614 197.531 215.201 1 3.08 ? 256 T 1
+2667 C CD . PRO B 2 256 ? 179.367 196.791 213.913 1 3.08 ? 256 T 1
+2668 N N . TYR B 2 257 ? 183.344 194.567 215.025 1 8.14 ? 257 T 1
+2669 C CA . TYR B 2 257 ? 184.05 193.318 215.295 1 8.14 ? 257 T 1
+2670 C C . TYR B 2 257 ? 183.394 192.109 214.632 1 8.14 ? 257 T 1
+2671 O O . TYR B 2 257 ? 183.416 191.009 215.191 1 8.14 ? 257 T 1
+2672 C CB . TYR B 2 257 ? 184.187 193.081 216.802 1 8.14 ? 257 T 1
+2673 C CG . TYR B 2 257 ? 184.973 194.152 217.517 1 8.14 ? 257 T 1
+2674 C CD1 . TYR B 2 257 ? 184.353 195.307 217.972 1 8.14 ? 257 T 1
+2675 C CD2 . TYR B 2 257 ? 186.333 194.009 217.74 1 8.14 ? 257 T 1
+2676 C CE1 . TYR B 2 257 ? 185.068 196.291 218.625 1 8.14 ? 257 T 1
+2677 C CE2 . TYR B 2 257 ? 187.055 194.985 218.396 1 8.14 ? 257 T 1
+2678 C CZ . TYR B 2 257 ? 186.419 196.124 218.836 1 8.14 ? 257 T 1
+2679 O OH . TYR B 2 257 ? 187.137 197.099 219.488 1 8.14 ? 257 T 1
+2680 N N . LEU B 2 258 ? 182.81 192.276 213.447 1 2.26 ? 258 T 1
+2681 C CA . LEU B 2 258 ? 182.212 191.166 212.711 1 2.26 ? 258 T 1
+2682 C C . LEU B 2 258 ? 182.559 191.309 211.238 1 2.26 ? 258 T 1
+2683 O O . LEU B 2 258 ? 182.523 192.417 210.696 1 2.26 ? 258 T 1
+2684 C CB . LEU B 2 258 ? 180.692 191.127 212.896 1 2.26 ? 258 T 1
+2685 C CG . LEU B 2 258 ? 180.142 190.925 214.306 1 2.26 ? 258 T 1
+2686 C CD1 . LEU B 2 258 ? 178.632 191.082 214.309 1 2.26 ? 258 T 1
+2687 C CD2 . LEU B 2 258 ? 180.539 189.569 214.851 1 2.26 ? 258 T 1
+2688 N N . GLN B 2 259 ? 182.893 190.195 210.591 1 1.99 ? 259 T 1
+2689 C CA . GLN B 2 259 ? 183.218 190.189 209.17 1 1.99 ? 259 T 1
+2690 C C . GLN B 2 259 ? 182.479 189.046 208.495 1 1.99 ? 259 T 1
+2691 O O . GLN B 2 259 ? 182.626 187.888 208.896 1 1.99 ? 259 T 1
+2692 C CB . GLN B 2 259 ? 184.726 190.052 208.943 1 1.99 ? 259 T 1
+2693 C CG . GLN B 2 259 ? 185.502 191.342 209.117 1 1.99 ? 259 T 1
+2694 C CD . GLN B 2 259 ? 185.802 191.657 210.568 1 1.99 ? 259 T 1
+2695 O OE1 . GLN B 2 259 ? 185.396 190.929 211.472 1 1.99 ? 259 T 1
+2696 N NE2 . GLN B 2 259 ? 186.51 192.754 210.799 1 1.99 ? 259 T 1
+2697 N N . GLY B 2 260 ? 181.689 189.368 207.476 1 1.18 ? 260 T 1
+2698 C CA . GLY B 2 260 ? 181.108 188.335 206.641 1 1.18 ? 260 T 1
+2699 C C . GLY B 2 260 ? 181.602 188.441 205.214 1 1.18 ? 260 T 1
+2700 O O . GLY B 2 260 ? 181.236 189.38 204.508 1 1.18 ? 260 T 1
+2701 N N . GLN B 2 261 ? 182.421 187.495 204.769 1 5.63 ? 261 T 1
+2702 C CA . GLN B 2 261 ? 183.091 187.589 203.479 1 5.63 ? 261 T 1
+2703 C C . GLN B 2 261 ? 182.667 186.436 202.581 1 5.63 ? 261 T 1
+2704 O O . GLN B 2 261 ? 182.724 185.273 202.991 1 5.63 ? 261 T 1
+2705 C CB . GLN B 2 261 ? 184.609 187.588 203.658 1 5.63 ? 261 T 1
+2706 C CG . GLN B 2 261 ? 185.379 187.278 202.393 1 5.63 ? 261 T 1
+2707 C CD . GLN B 2 261 ? 186.741 186.687 202.677 1 5.63 ? 261 T 1
+2708 O OE1 . GLN B 2 261 ? 187.528 187.251 203.434 1 5.63 ? 261 T 1
+2709 N NE2 . GLN B 2 261 ? 187.027 185.543 202.069 1 5.63 ? 261 T 1
+2710 N N . VAL B 2 262 ? 182.245 186.761 201.359 1 37.52 ? 262 T 1
+2711 C CA . VAL B 2 262 ? 181.857 185.755 200.376 1 37.52 ? 262 T 1
+2712 C C . VAL B 2 262 ? 182.482 186.09 199.03 1 37.52 ? 262 T 1
+2713 O O . VAL B 2 262 ? 182.571 187.256 198.637 1 37.52 ? 262 T 1
+2714 C CB . VAL B 2 262 ? 180.325 185.627 200.238 1 37.52 ? 262 T 1
+2715 C CG1 . VAL B 2 262 ? 179.71 185.252 201.56 1 37.52 ? 262 T 1
+2716 C CG2 . VAL B 2 262 ? 179.726 186.917 199.731 1 37.52 ? 262 T 1
+2717 N N . THR B 2 263 ? 182.913 185.056 198.317 1 9.33 ? 263 T 1
+2718 C CA . THR B 2 263 ? 183.579 185.22 197.036 1 9.33 ? 263 T 1
+2719 C C . THR B 2 263 ? 182.664 184.797 195.896 1 9.33 ? 263 T 1
+2720 O O . THR B 2 263 ? 181.689 184.067 196.086 1 9.33 ? 263 T 1
+2721 C CB . THR B 2 263 ? 184.876 184.408 196.979 1 9.33 ? 263 T 1
+2722 O OG1 . THR B 2 263 ? 184.562 183.016 196.863 1 9.33 ? 263 T 1
+2723 C CG2 . THR B 2 263 ? 185.692 184.632 198.236 1 9.33 ? 263 T 1
+2724 N N . LEU B 2 264 ? 182.999 185.271 194.699 1 7.27 ? 264 T 1
+2725 C CA . LEU B 2 264 ? 182.272 184.913 193.491 1 7.27 ? 264 T 1
+2726 C C . LEU B 2 264 ? 183.166 185.196 192.293 1 7.27 ? 264 T 1
+2727 O O . LEU B 2 264 ? 183.787 186.257 192.205 1 7.27 ? 264 T 1
+2728 C CB . LEU B 2 264 ? 180.94 185.669 193.397 1 7.27 ? 264 T 1
+2729 C CG . LEU B 2 264 ? 180.896 187.198 193.33 1 7.27 ? 264 T 1
+2730 C CD1 . LEU B 2 264 ? 181.07 187.718 191.91 1 7.27 ? 264 T 1
+2731 C CD2 . LEU B 2 264 ? 179.605 187.716 193.936 1 7.27 ? 264 T 1
+2732 N N . GLU B 2 265 ? 183.24 184.229 191.385 1 8.83 ? 265 T 1
+2733 C CA . GLU B 2 265 ? 184.131 184.3 190.232 1 8.83 ? 265 T 1
+2734 C C . GLU B 2 265 ? 183.369 184.903 189.059 1 8.83 ? 265 T 1
+2735 O O . GLU B 2 265 ? 182.429 184.294 188.542 1 8.83 ? 265 T 1
+2736 C CB . GLU B 2 265 ? 184.677 182.918 189.881 1 8.83 ? 265 T 1
+2737 C CG . GLU B 2 265 ? 185.576 182.305 190.946 1 8.83 ? 265 T 1
+2738 C CD . GLU B 2 265 ? 184.803 181.575 192.03 1 8.83 ? 265 T 1
+2739 O OE1 . GLU B 2 265 ? 183.556 181.588 191.989 1 8.83 ? 265 T 1
+2740 O OE2 . GLU B 2 265 ? 185.446 180.987 192.923 1 8.83 ? 265 T 1
+2741 N N . LEU B 2 266 ? 183.78 186.095 188.64 1 8.52 ? 266 T 1
+2742 C CA . LEU B 2 266 ? 183.143 186.787 187.524 1 8.52 ? 266 T 1
+2743 C C . LEU B 2 266 ? 183.861 186.388 186.242 1 8.52 ? 266 T 1
+2744 O O . LEU B 2 266 ? 184.938 186.9 185.933 1 8.52 ? 266 T 1
+2745 C CB . LEU B 2 266 ? 183.177 188.296 187.743 1 8.52 ? 266 T 1
+2746 C CG . LEU B 2 266 ? 182.378 189.191 186.795 1 8.52 ? 266 T 1
+2747 C CD1 . LEU B 2 266 ? 181.945 190.451 187.516 1 8.52 ? 266 T 1
+2748 C CD2 . LEU B 2 266 ? 183.183 189.557 185.569 1 8.52 ? 266 T 1
+2749 N N . ALA B 2 267 ? 183.267 185.468 185.491 1 11.48 ? 267 T 1
+2750 C CA . ALA B 2 267 ? 183.824 185.038 184.219 1 11.48 ? 267 T 1
+2751 C C . ALA B 2 267 ? 183.296 185.911 183.088 1 11.48 ? 267 T 1
+2752 O O . ALA B 2 267 ? 182.098 186.192 183.002 1 11.48 ? 267 T 1
+2753 C CB . ALA B 2 267 ? 183.488 183.572 183.946 1 11.48 ? 267 T 1
+2754 N N . VAL B 2 268 ? 184.204 186.334 182.214 1 10.17 ? 268 T 1
+2755 C CA . VAL B 2 268 ? 183.881 187.207 181.093 1 10.17 ? 268 T 1
+2756 C C . VAL B 2 268 ? 183.973 186.392 179.814 1 10.17 ? 268 T 1
+2757 O O . VAL B 2 268 ? 184.986 185.73 179.567 1 10.17 ? 268 T 1
+2758 C CB . VAL B 2 268 ? 184.822 188.423 181.028 1 10.17 ? 268 T 1
+2759 C CG1 . VAL B 2 268 ? 184.488 189.284 179.826 1 10.17 ? 268 T 1
+2760 C CG2 . VAL B 2 268 ? 184.734 189.228 182.304 1 10.17 ? 268 T 1
+2761 N N . TYR B 2 269 ? 182.919 186.439 179.004 1 12.1 ? 269 T 1
+2762 C CA . TYR B 2 269 ? 182.879 185.718 177.743 1 12.1 ? 269 T 1
+2763 C C . TYR B 2 269 ? 182.489 186.67 176.624 1 12.1 ? 269 T 1
+2764 O O . TYR B 2 269 ? 181.619 187.526 176.799 1 12.1 ? 269 T 1
+2765 C CB . TYR B 2 269 ? 181.898 184.539 177.8 1 12.1 ? 269 T 1
+2766 C CG . TYR B 2 269 ? 180.441 184.916 177.641 1 12.1 ? 269 T 1
+2767 C CD1 . TYR B 2 269 ? 179.677 185.282 178.736 1 12.1 ? 269 T 1
+2768 C CD2 . TYR B 2 269 ? 179.825 184.881 176.398 1 12.1 ? 269 T 1
+2769 C CE1 . TYR B 2 269 ? 178.346 185.618 178.599 1 12.1 ? 269 T 1
+2770 C CE2 . TYR B 2 269 ? 178.495 185.217 176.251 1 12.1 ? 269 T 1
+2771 C CZ . TYR B 2 269 ? 177.761 185.584 177.355 1 12.1 ? 269 T 1
+2772 O OH . TYR B 2 269 ? 176.434 185.918 177.214 1 12.1 ? 269 T 1
+2773 N N . LYS B 2 270 ? 183.138 186.514 175.481 1 14.24 ? 270 T 1
+2774 C CA . LYS B 2 270 ? 182.823 187.293 174.294 1 14.24 ? 270 T 1
+2775 C C . LYS B 2 270 ? 182.823 186.357 173.094 1 14.24 ? 270 T 1
+2776 O O . LYS B 2 270 ? 183.892 185.908 172.663 1 14.24 ? 270 T 1
+2777 C CB . LYS B 2 270 ? 183.83 188.428 174.108 1 14.24 ? 270 T 1
+2778 C CG . LYS B 2 270 ? 183.731 189.142 172.774 1 14.24 ? 270 T 1
+2779 C CD . LYS B 2 270 ? 182.433 189.916 172.653 1 14.24 ? 270 T 1
+2780 C CE . LYS B 2 270 ? 182.58 191.078 171.687 1 14.24 ? 270 T 1
+2781 N NZ . LYS B 2 270 ? 183.711 191.967 172.063 1 14.24 ? 270 T 1
+2782 N N . PRO B 2 271 ? 181.66 186.019 172.547 1 18.36 ? 271 T 1
+2783 C CA . PRO B 2 271 ? 181.604 185.027 171.47 1 18.36 ? 271 T 1
+2784 C C . PRO B 2 271 ? 182.399 185.485 170.263 1 18.36 ? 271 T 1
+2785 O O . PRO B 2 271 ? 182.299 186.647 169.843 1 18.36 ? 271 T 1
+2786 C CB . PRO B 2 271 ? 180.104 184.932 171.149 1 18.36 ? 271 T 1
+2787 C CG . PRO B 2 271 ? 179.514 186.184 171.679 1 18.36 ? 271 T 1
+2788 C CD . PRO B 2 271 ? 180.332 186.56 172.872 1 18.36 ? 271 T 1
+2789 N N . PRO B 2 272 ? 183.197 184.603 169.679 1 24.13 ? 272 T 1
+2790 C CA . PRO B 2 272 ? 184.034 184.988 168.542 1 24.13 ? 272 T 1
+2791 C C . PRO B 2 272 ? 183.236 185.071 167.25 1 24.13 ? 272 T 1
+2792 O O . PRO B 2 272 ? 182.053 184.741 167.183 1 24.13 ? 272 T 1
+2793 C CB . PRO B 2 272 ? 185.068 183.863 168.465 1 24.13 ? 272 T 1
+2794 C CG . PRO B 2 272 ? 184.415 182.707 169.106 1 24.13 ? 272 T 1
+2795 C CD . PRO B 2 272 ? 183.503 183.247 170.162 1 24.13 ? 272 T 1
+2796 N N . LYS B 2 273 ? 183.923 185.536 166.212 1 32.27 ? 273 T 1
+2797 C CA . LYS B 2 273 ? 183.426 185.499 164.847 1 32.27 ? 273 T 1
+2798 C C . LYS B 2 273 ? 184.514 184.91 163.962 1 32.27 ? 273 T 1
+2799 O O . LYS B 2 273 ? 185.69 185.26 164.084 1 32.27 ? 273 T 1
+2800 C CB . LYS B 2 273 ? 183.017 186.894 164.338 1 32.27 ? 273 T 1
+2801 C CG . LYS B 2 273 ? 181.866 187.547 165.102 1 32.27 ? 273 T 1
+2802 C CD . LYS B 2 273 ? 182.335 188.231 166.378 1 32.27 ? 273 T 1
+2803 C CE . LYS B 2 273 ? 181.307 189.223 166.889 1 32.27 ? 273 T 1
+2804 N NZ . LYS B 2 273 ? 181.792 189.931 168.105 1 32.27 ? 273 T 1
+2805 N N . VAL B 2 274 ? 184.114 184.008 163.072 1 43.87 ? 274 T 1
+2806 C CA . VAL B 2 274 ? 185.061 183.229 162.289 1 43.87 ? 274 T 1
+2807 C C . VAL B 2 274 ? 184.993 183.666 160.833 1 43.87 ? 274 T 1
+2808 O O . VAL B 2 274 ? 184.006 184.243 160.373 1 43.87 ? 274 T 1
+2809 C CB . VAL B 2 274 ? 184.8 181.718 162.415 1 43.87 ? 274 T 1
+2810 C CG1 . VAL B 2 274 ? 185.065 181.263 163.834 1 43.87 ? 274 T 1
+2811 C CG2 . VAL B 2 274 ? 183.373 181.406 162.023 1 43.87 ? 274 T 1
+2812 N N . SER B 2 275 ? 186.071 183.379 160.106 1 53.25 ? 275 T 1
+2813 C CA . SER B 2 275 ? 186.187 183.787 158.711 1 53.25 ? 275 T 1
+2814 C C . SER B 2 275 ? 187.228 182.919 158.023 1 53.25 ? 275 T 1
+2815 O O . SER B 2 275 ? 188.346 182.774 158.527 1 53.25 ? 275 T 1
+2816 C CB . SER B 2 275 ? 186.569 185.265 158.604 1 53.25 ? 275 T 1
+2817 O OG . SER B 2 275 ? 187.757 185.536 159.328 1 53.25 ? 275 T 1
+2818 N N . LEU B 2 276 ? 186.86 182.348 156.882 1 70.2 ? 276 T 1
+2819 C CA . LEU B 2 276 ? 187.808 181.619 156.054 1 70.2 ? 276 T 1
+2820 C C . LEU B 2 276 ? 188.235 182.468 154.864 1 70.2 ? 276 T 1
+2821 O O . LEU B 2 276 ? 187.405 183.027 154.141 1 70.2 ? 276 T 1
+2822 C CB . LEU B 2 276 ? 187.2 180.306 155.562 1 70.2 ? 276 T 1
+2823 C CG . LEU B 2 276 ? 187.278 179.118 156.518 1 70.2 ? 276 T 1
+2824 C CD1 . LEU B 2 276 ? 186.691 177.875 155.875 1 70.2 ? 276 T 1
+2825 C CD2 . LEU B 2 276 ? 188.721 178.88 156.904 1 70.2 ? 276 T 1
+2826 N N . MET B 2 277 ? 189.548 182.558 154.661 1 78.09 ? 277 T 1
+2827 C CA . MET B 2 277 ? 190.11 183.367 153.597 1 78.09 ? 277 T 1
+2828 C C . MET B 2 277 ? 191.002 182.478 152.742 1 78.09 ? 277 T 1
+2829 O O . MET B 2 277 ? 191.755 181.655 153.283 1 78.09 ? 277 T 1
+2830 C CB . MET B 2 277 ? 190.93 184.541 154.155 1 78.09 ? 277 T 1
+2831 C CG . MET B 2 277 ? 190.14 185.609 154.924 1 78.09 ? 277 T 1
+2832 S SD . MET B 2 277 ? 188.823 186.504 154.066 1 78.09 ? 277 T 1
+2833 C CE . MET B 2 277 ? 189.732 187.457 152.851 1 78.09 ? 277 T 1
+2834 N N . PRO B 2 278 ? 190.938 182.61 151.408 1 86.96 ? 278 T 1
+2835 C CA . PRO B 2 278 ? 191.813 181.841 150.515 1 86.96 ? 278 T 1
+2836 C C . PRO B 2 278 ? 193.284 182.205 150.685 1 86.96 ? 278 T 1
+2837 O O . PRO B 2 278 ? 194.098 181.801 149.854 1 86.96 ? 278 T 1
+2838 C CB . PRO B 2 278 ? 191.315 182.227 149.117 1 86.96 ? 278 T 1
+2839 C CG . PRO B 2 278 ? 189.92 182.712 149.33 1 86.96 ? 278 T 1
+2840 C CD . PRO B 2 278 ? 189.949 183.398 150.657 1 86.96 ? 278 T 1
+2841 N N . PRO B 2 291 ? 196.161 175.519 147.966 1 83.29 ? 291 T 1
+2842 C CA . PRO B 2 291 ? 196.264 176.783 148.702 1 83.29 ? 291 T 1
+2843 C C . PRO B 2 291 ? 196.167 176.574 150.204 1 83.29 ? 291 T 1
+2844 O O . PRO B 2 291 ? 195.883 175.459 150.635 1 83.29 ? 291 T 1
+2845 C CB . PRO B 2 291 ? 195.07 177.583 148.185 1 83.29 ? 291 T 1
+2846 C CG . PRO B 2 291 ? 194.877 177.091 146.826 1 83.29 ? 291 T 1
+2847 C CD . PRO B 2 291 ? 195.196 175.619 146.86 1 83.29 ? 291 T 1
+2848 N N . GLU B 2 292 ? 196.369 177.637 150.98 1 75.9 ? 292 T 1
+2849 C CA . GLU B 2 292 ? 196.482 177.56 152.436 1 75.9 ? 292 T 1
+2850 C C . GLU B 2 292 ? 195.274 178.26 153.046 1 75.9 ? 292 T 1
+2851 O O . GLU B 2 292 ? 195.084 179.466 152.857 1 75.9 ? 292 T 1
+2852 C CB . GLU B 2 292 ? 197.79 178.186 152.919 1 75.9 ? 292 T 1
+2853 N N . LEU B 2 293 ? 194.455 177.499 153.767 1 71.25 ? 293 T 1
+2854 C CA . LEU B 2 293 ? 193.243 178.052 154.354 1 71.25 ? 293 T 1
+2855 C C . LEU B 2 293 ? 193.53 178.644 155.728 1 71.25 ? 293 T 1
+2856 O O . LEU B 2 293 ? 194.102 177.979 156.599 1 71.25 ? 293 T 1
+2857 C CB . LEU B 2 293 ? 192.167 176.977 154.454 1 71.25 ? 293 T 1
+2858 C CG . LEU B 2 293 ? 191.649 176.515 153.093 1 71.25 ? 293 T 1
+2859 C CD1 . LEU B 2 293 ? 190.629 175.408 153.261 1 71.25 ? 293 T 1
+2860 C CD2 . LEU B 2 293 ? 191.065 177.687 152.312 1 71.25 ? 293 T 1
+2861 N N . LEU B 2 294 ? 193.115 179.897 155.914 1 59.99 ? 294 T 1
+2862 C CA . LEU B 2 294 ? 193.326 180.639 157.155 1 59.99 ? 294 T 1
+2863 C C . LEU B 2 294 ? 191.989 180.777 157.873 1 59.99 ? 294 T 1
+2864 O O . LEU B 2 294 ? 191.188 181.657 157.55 1 59.99 ? 294 T 1
+2865 C CB . LEU B 2 294 ? 193.923 182.013 156.867 1 59.99 ? 294 T 1
+2866 C CG . LEU B 2 294 ? 195.413 182.182 156.562 1 59.99 ? 294 T 1
+2867 C CD1 . LEU B 2 294 ? 195.771 181.609 155.204 1 59.99 ? 294 T 1
+2868 C CD2 . LEU B 2 294 ? 195.804 183.652 156.642 1 59.99 ? 294 T 1
+2869 N N . CYS B 2 295 ? 191.744 179.912 158.857 1 54.64 ? 295 T 1
+2870 C CA . CYS B 2 295 ? 190.6 180.083 159.75 1 54.64 ? 295 T 1
+2871 C C . CYS B 2 295 ? 190.942 181.204 160.731 1 54.64 ? 295 T 1
+2872 O O . CYS B 2 295 ? 191.666 181.027 161.713 1 54.64 ? 295 T 1
+2873 C CB . CYS B 2 295 ? 190.259 178.78 160.461 1 54.64 ? 295 T 1
+2874 S SG . CYS B 2 295 ? 188.661 178.787 161.321 1 54.64 ? 295 T 1
+2875 N N . LEU B 2 296 ? 190.439 182.392 160.408 1 41.69 ? 296 T 1
+2876 C CA . LEU B 2 296 ? 190.703 183.573 161.217 1 41.69 ? 296 T 1
+2877 C C . LEU B 2 296 ? 189.578 183.779 162.219 1 41.69 ? 296 T 1
+2878 O O . LEU B 2 296 ? 188.398 183.669 161.874 1 41.69 ? 296 T 1
+2879 C CB . LEU B 2 296 ? 190.847 184.805 160.326 1 41.69 ? 296 T 1
+2880 C CG . LEU B 2 296 ? 191.107 186.134 161.036 1 41.69 ? 296 T 1
+2881 C CD1 . LEU B 2 296 ? 192.463 186.121 161.723 1 41.69 ? 296 T 1
+2882 C CD2 . LEU B 2 296 ? 191.003 187.295 160.06 1 41.69 ? 296 T 1
+2883 N N . VAL B 2 297 ? 189.943 184.082 163.458 1 25.13 ? 297 T 1
+2884 C CA . VAL B 2 297 ? 188.987 184.279 164.537 1 25.13 ? 297 T 1
+2885 C C . VAL B 2 297 ? 189.002 185.747 164.935 1 25.13 ? 297 T 1
+2886 O O . VAL B 2 297 ? 190.07 186.334 165.134 1 25.13 ? 297 T 1
+2887 C CB . VAL B 2 297 ? 189.307 183.377 165.743 1 25.13 ? 297 T 1
+2888 C CG1 . VAL B 2 297 ? 188.264 183.555 166.816 1 25.13 ? 297 T 1
+2889 C CG2 . VAL B 2 297 ? 189.386 181.926 165.308 1 25.13 ? 297 T 1
+2890 N N . SER B 2 298 ? 187.819 186.335 165.05 1 24.36 ? 298 T 1
+2891 C CA . SER B 2 298 ? 187.688 187.745 165.387 1 24.36 ? 298 T 1
+2892 C C . SER B 2 298 ? 187.88 187.923 166.895 1 24.36 ? 298 T 1
+2893 O O . SER B 2 298 ? 188.344 187.013 167.586 1 24.36 ? 298 T 1
+2894 C CB . SER B 2 298 ? 186.337 188.275 164.898 1 24.36 ? 298 T 1
+2895 O OG . SER B 2 298 ? 186.256 188.241 163.484 1 24.36 ? 298 T 1
+2896 N N . HIS B 2 299 ? 187.54 189.1 167.414 1 19.32 ? 299 T 1
+2897 C CA . HIS B 2 299 ? 187.722 189.395 168.83 1 19.32 ? 299 T 1
+2898 C C . HIS B 2 299 ? 186.903 188.44 169.685 1 19.32 ? 299 T 1
+2899 O O . HIS B 2 299 ? 185.72 188.214 169.416 1 19.32 ? 299 T 1
+2900 C CB . HIS B 2 299 ? 187.314 190.839 169.108 1 19.32 ? 299 T 1
+2901 C CG . HIS B 2 299 ? 187.971 191.837 168.207 1 19.32 ? 299 T 1
+2902 N ND1 . HIS B 2 299 ? 187.59 192.019 166.895 1 19.32 ? 299 T 1
+2903 C CD2 . HIS B 2 299 ? 188.979 192.713 168.431 1 19.32 ? 299 T 1
+2904 C CE1 . HIS B 2 299 ? 188.339 192.96 166.348 1 19.32 ? 299 T 1
+2905 N NE2 . HIS B 2 299 ? 189.191 193.396 167.258 1 19.32 ? 299 T 1
+2906 N N . PHE B 2 300 ? 187.53 187.881 170.719 1 17.48 ? 300 T 1
+2907 C CA . PHE B 2 300 ? 186.836 186.97 171.615 1 17.48 ? 300 T 1
+2908 C C . PHE B 2 300 ? 187.573 186.892 172.942 1 17.48 ? 300 T 1
+2909 O O . PHE B 2 300 ? 188.706 187.361 173.07 1 17.48 ? 300 T 1
+2910 C CB . PHE B 2 300 ? 186.691 185.573 171.002 1 17.48 ? 300 T 1
+2911 C CG . PHE B 2 300 ? 187.946 184.748 171.032 1 17.48 ? 300 T 1
+2912 C CD1 . PHE B 2 300 ? 188.811 184.75 169.959 1 17.48 ? 300 T 1
+2913 C CD2 . PHE B 2 300 ? 188.231 183.927 172.109 1 17.48 ? 300 T 1
+2914 C CE1 . PHE B 2 300 ? 189.956 183.98 169.972 1 17.48 ? 300 T 1
+2915 C CE2 . PHE B 2 300 ? 189.375 183.158 172.128 1 17.48 ? 300 T 1
+2916 C CZ . PHE B 2 300 ? 190.237 183.184 171.059 1 17.48 ? 300 T 1
+2917 N N . TYR B 2 301 ? 186.913 186.282 173.927 1 18.26 ? 301 T 1
+2918 C CA . TYR B 2 301 ? 187.45 186.131 175.27 1 18.26 ? 301 T 1
+2919 C C . TYR B 2 301 ? 186.611 185.081 175.974 1 18.26 ? 301 T 1
+2920 O O . TYR B 2 301 ? 185.399 185.024 175.728 1 18.26 ? 301 T 1
+2921 C CB . TYR B 2 301 ? 187.406 187.459 176.033 1 18.26 ? 301 T 1
+2922 C CG . TYR B 2 301 ? 188.438 187.588 177.123 1 18.26 ? 301 T 1
+2923 C CD1 . TYR B 2 301 ? 189.765 187.837 176.817 1 18.26 ? 301 T 1
+2924 C CD2 . TYR B 2 301 ? 188.085 187.478 178.457 1 18.26 ? 301 T 1
+2925 C CE1 . TYR B 2 301 ? 190.714 187.96 177.806 1 18.26 ? 301 T 1
+2926 C CE2 . TYR B 2 301 ? 189.026 187.601 179.454 1 18.26 ? 301 T 1
+2927 C CZ . TYR B 2 301 ? 190.339 187.842 179.123 1 18.26 ? 301 T 1
+2928 O OH . TYR B 2 301 ? 191.286 187.967 180.112 1 18.26 ? 301 T 1
+2929 N N . PRO B 2 302 ? 187.195 184.241 176.842 1 22.24 ? 302 T 1
+2930 C CA . PRO B 2 302 ? 188.595 184.205 177.272 1 22.24 ? 302 T 1
+2931 C C . PRO B 2 302 ? 189.536 183.625 176.225 1 22.24 ? 302 T 1
+2932 O O . PRO B 2 302 ? 189.092 182.945 175.302 1 22.24 ? 302 T 1
+2933 C CB . PRO B 2 302 ? 188.548 183.311 178.51 1 22.24 ? 302 T 1
+2934 C CG . PRO B 2 302 ? 187.438 182.376 178.228 1 22.24 ? 302 T 1
+2935 C CD . PRO B 2 302 ? 186.403 183.182 177.493 1 22.24 ? 302 T 1
+2936 N N . SER B 2 303 ? 190.831 183.905 176.382 1 23.97 ? 303 T 1
+2937 C CA . SER B 2 303 ? 191.818 183.455 175.409 1 23.97 ? 303 T 1
+2938 C C . SER B 2 303 ? 191.87 181.938 175.314 1 23.97 ? 303 T 1
+2939 O O . SER B 2 303 ? 191.933 181.386 174.21 1 23.97 ? 303 T 1
+2940 C CB . SER B 2 303 ? 193.197 184.001 175.779 1 23.97 ? 303 T 1
+2941 O OG . SER B 2 303 ? 193.184 185.415 175.843 1 23.97 ? 303 T 1
+2942 N N . GLY B 2 304 ? 191.84 181.248 176.454 1 31.68 ? 304 T 1
+2943 C CA . GLY B 2 304 ? 191.968 179.807 176.464 1 31.68 ? 304 T 1
+2944 C C . GLY B 2 304 ? 190.671 179.087 176.141 1 31.68 ? 304 T 1
+2945 O O . GLY B 2 304 ? 189.605 179.685 176.014 1 31.68 ? 304 T 1
+2946 N N . GLY B 2 305 ? 190.785 177.768 176.002 1 44.4 ? 305 T 1
+2947 C CA . GLY B 2 305 ? 189.648 176.918 175.734 1 44.4 ? 305 T 1
+2948 C C . GLY B 2 305 ? 189.303 176.746 174.272 1 44.4 ? 305 T 1
+2949 O O . GLY B 2 305 ? 188.523 175.843 173.941 1 44.4 ? 305 T 1
+2950 N N . LEU B 2 306 ? 189.853 177.573 173.389 1 54.78 ? 306 T 1
+2951 C CA . LEU B 2 306 ? 189.554 177.478 171.967 1 54.78 ? 306 T 1
+2952 C C . LEU B 2 306 ? 190.118 176.183 171.4 1 54.78 ? 306 T 1
+2953 O O . LEU B 2 306 ? 191.219 175.762 171.768 1 54.78 ? 306 T 1
+2954 C CB . LEU B 2 306 ? 190.123 178.689 171.224 1 54.78 ? 306 T 1
+2955 C CG . LEU B 2 306 ? 190.056 178.766 169.696 1 54.78 ? 306 T 1
+2956 C CD1 . LEU B 2 306 ? 190.036 180.216 169.266 1 54.78 ? 306 T 1
+2957 C CD2 . LEU B 2 306 ? 191.244 178.074 169.045 1 54.78 ? 306 T 1
+2958 N N . GLU B 2 307 ? 189.362 175.553 170.503 1 71.48 ? 307 T 1
+2959 C CA . GLU B 2 307 ? 189.802 174.342 169.813 1 71.48 ? 307 T 1
+2960 C C . GLU B 2 307 ? 189.401 174.457 168.346 1 71.48 ? 307 T 1
+2961 O O . GLU B 2 307 ? 188.212 174.547 168.026 1 71.48 ? 307 T 1
+2962 C CB . GLU B 2 307 ? 189.207 173.092 170.453 1 71.48 ? 307 T 1
+2963 C CG . GLU B 2 307 ? 190.11 171.872 170.381 1 71.48 ? 307 T 1
+2964 C CD . GLU B 2 307 ? 189.664 170.76 171.31 1 71.48 ? 307 T 1
+2965 O OE1 . GLU B 2 307 ? 188.524 170.275 171.155 1 71.48 ? 307 T 1
+2966 O OE2 . GLU B 2 307 ? 190.455 170.371 172.195 1 71.48 ? 307 T 1
+2967 N N . VAL B 2 308 ? 190.386 174.472 167.457 1 73.68 ? 308 T 1
+2968 C CA . VAL B 2 308 ? 190.111 174.482 166.026 1 73.68 ? 308 T 1
+2969 C C . VAL B 2 308 ? 189.932 173.048 165.544 1 73.68 ? 308 T 1
+2970 O O . VAL B 2 308 ? 190.713 172.156 165.897 1 73.68 ? 308 T 1
+2971 C CB . VAL B 2 308 ? 191.227 175.208 165.255 1 73.68 ? 308 T 1
+2972 C CG1 . VAL B 2 308 ? 191.293 176.665 165.672 1 73.68 ? 308 T 1
+2973 C CG2 . VAL B 2 308 ? 192.575 174.543 165.488 1 73.68 ? 308 T 1
+2974 N N . GLU B 2 309 ? 188.88 172.815 164.764 1 78.85 ? 309 T 1
+2975 C CA . GLU B 2 309 ? 188.641 171.531 164.129 1 78.85 ? 309 T 1
+2976 C C . GLU B 2 309 ? 188.422 171.768 162.644 1 78.85 ? 309 T 1
+2977 O O . GLU B 2 309 ? 187.954 172.832 162.237 1 78.85 ? 309 T 1
+2978 C CB . GLU B 2 309 ? 187.433 170.812 164.742 1 78.85 ? 309 T 1
+2979 C CG . GLU B 2 309 ? 187.544 170.587 166.242 1 78.85 ? 309 T 1
+2980 C CD . GLU B 2 309 ? 186.193 170.425 166.909 1 78.85 ? 309 T 1
+2981 O OE1 . GLU B 2 309 ? 185.178 170.825 166.302 1 78.85 ? 309 T 1
+2982 O OE2 . GLU B 2 309 ? 186.146 169.901 168.042 1 78.85 ? 309 T 1
+2983 N N . TRP B 2 310 ? 188.767 170.773 161.833 1 85.56 ? 310 T 1
+2984 C CA . TRP B 2 310 ? 188.761 170.923 160.384 1 85.56 ? 310 T 1
+2985 C C . TRP B 2 310 ? 187.987 169.767 159.772 1 85.56 ? 310 T 1
+2986 O O . TRP B 2 310 ? 188.177 168.613 160.171 1 85.56 ? 310 T 1
+2987 C CB . TRP B 2 310 ? 190.194 170.974 159.853 1 85.56 ? 310 T 1
+2988 C CG . TRP B 2 310 ? 190.791 172.344 159.916 1 85.56 ? 310 T 1
+2989 C CD1 . TRP B 2 310 ? 191.745 172.781 160.787 1 85.56 ? 310 T 1
+2990 C CD2 . TRP B 2 310 ? 190.504 173.447 159.05 1 85.56 ? 310 T 1
+2991 N NE1 . TRP B 2 310 ? 192.055 174.093 160.531 1 85.56 ? 310 T 1
+2992 C CE2 . TRP B 2 310 ? 191.308 174.525 159.467 1 85.56 ? 310 T 1
+2993 C CE3 . TRP B 2 310 ? 189.64 173.63 157.967 1 85.56 ? 310 T 1
+2994 C CZ2 . TRP B 2 310 ? 191.275 175.767 158.84 1 85.56 ? 310 T 1
+2995 C CZ3 . TRP B 2 310 ? 189.608 174.864 157.346 1 85.56 ? 310 T 1
+2996 C CH2 . TRP B 2 310 ? 190.421 175.916 157.784 1 85.56 ? 310 T 1
+2997 N N . GLU B 2 311 ? 187.117 170.072 158.809 1 102.06 ? 311 T 1
+2998 C CA . GLU B 2 311 ? 186.237 169.067 158.218 1 102.06 ? 311 T 1
+2999 C C . GLU B 2 311 ? 186.179 169.27 156.71 1 102.06 ? 311 T 1
+3000 O O . GLU B 2 311 ? 186.021 170.398 156.23 1 102.06 ? 311 T 1
+3001 C CB . GLU B 2 311 ? 184.838 169.134 158.832 1 102.06 ? 311 T 1
+3002 C CG . GLU B 2 311 ? 184.256 170.534 158.895 1 102.06 ? 311 T 1
+3003 C CD . GLU B 2 311 ? 182.961 170.594 159.679 1 102.06 ? 311 T 1
+3004 O OE1 . GLU B 2 311 ? 182.346 169.53 159.897 1 102.06 ? 311 T 1
+3005 O OE2 . GLU B 2 311 ? 182.557 171.708 160.075 1 102.06 ? 311 T 1
+3006 N N . LEU B 2 312 ? 186.322 168.177 155.965 1 104.89 ? 312 T 1
+3007 C CA . LEU B 2 312 ? 186.129 168.201 154.521 1 104.89 ? 312 T 1
+3008 C C . LEU B 2 312 ? 184.752 167.635 154.193 1 104.89 ? 312 T 1
+3009 O O . LEU B 2 312 ? 184.537 166.422 154.282 1 104.89 ? 312 T 1
+3010 C CB . LEU B 2 312 ? 187.225 167.398 153.825 1 104.89 ? 312 T 1
+3011 N N . ARG B 2 313 ? 183.824 168.508 153.814 1 109.57 ? 313 T 1
+3012 C CA . ARG B 2 313 ? 182.462 168.086 153.511 1 109.57 ? 313 T 1
+3013 C C . ARG B 2 313 ? 182.268 167.911 152.01 1 109.57 ? 313 T 1
+3014 O O . ARG B 2 313 ? 183.064 168.404 151.211 1 109.57 ? 313 T 1
+3015 C CB . ARG B 2 313 ? 181.453 169.096 154.06 1 109.57 ? 313 T 1
+3016 N N . SER B 2 320 ? 180.331 164.321 156.126 1 108.38 ? 320 T 1
+3017 C CA . SER B 2 320 ? 181.661 164.92 156.104 1 108.38 ? 320 T 1
+3018 C C . SER B 2 320 ? 182.659 164.072 156.886 1 108.38 ? 320 T 1
+3019 O O . SER B 2 320 ? 182.279 163.129 157.58 1 108.38 ? 320 T 1
+3020 C CB . SER B 2 320 ? 181.619 166.339 156.672 1 108.38 ? 320 T 1
+3021 O OG . SER B 2 320 ? 181.292 166.327 158.05 1 108.38 ? 320 T 1
+3022 N N . GLN B 2 321 ? 183.939 164.416 156.767 1 104.84 ? 321 T 1
+3023 C CA . GLN B 2 321 ? 185.009 163.705 157.448 1 104.84 ? 321 T 1
+3024 C C . GLN B 2 321 ? 186.072 164.7 157.885 1 104.84 ? 321 T 1
+3025 O O . GLN B 2 321 ? 186.107 165.833 157.395 1 104.84 ? 321 T 1
+3026 C CB . GLN B 2 321 ? 185.632 162.63 156.548 1 104.84 ? 321 T 1
+3027 N N . LYS B 2 322 ? 186.926 164.276 158.817 1 99.82 ? 322 T 1
+3028 C CA . LYS B 2 322 ? 188.02 165.114 159.294 1 99.82 ? 322 T 1
+3029 C C . LYS B 2 322 ? 188.93 165.518 158.141 1 99.82 ? 322 T 1
+3030 O O . LYS B 2 322 ? 189.332 164.674 157.333 1 99.82 ? 322 T 1
+3031 C CB . LYS B 2 322 ? 188.82 164.386 160.377 1 99.82 ? 322 T 1
+3032 N N . ALA B 2 323 ? 189.255 166.806 158.056 1 99.2 ? 323 T 1
+3033 C CA . ALA B 2 323 ? 190.034 167.318 156.936 1 99.2 ? 323 T 1
+3034 C C . ALA B 2 323 ? 191.469 166.81 156.987 1 99.2 ? 323 T 1
+3035 O O . ALA B 2 323 ? 192.109 166.814 158.042 1 99.2 ? 323 T 1
+3036 C CB . ALA B 2 323 ? 190.014 168.847 156.941 1 99.2 ? 323 T 1
+3037 N N . GLU B 2 324 ? 191.969 166.372 155.834 1 97.39 ? 324 T 1
+3038 C CA . GLU B 2 324 ? 193.348 165.928 155.723 1 97.39 ? 324 T 1
+3039 C C . GLU B 2 324 ? 194.27 167.115 155.449 1 97.39 ? 324 T 1
+3040 O O . GLU B 2 324 ? 193.834 168.212 155.088 1 97.39 ? 324 T 1
+3041 C CB . GLU B 2 324 ? 193.486 164.878 154.621 1 97.39 ? 324 T 1
+3042 N N . GLY B 2 325 ? 195.558 166.883 155.623 1 90.8 ? 325 T 1
+3043 C CA . GLY B 2 325 ? 196.555 167.92 155.466 1 90.8 ? 325 T 1
+3044 C C . GLY B 2 325 ? 197.03 168.432 156.813 1 90.8 ? 325 T 1
+3045 O O . GLY B 2 325 ? 196.314 168.371 157.822 1 90.8 ? 325 T 1
+3046 N N . GLN B 2 326 ? 198.257 168.947 156.835 1 82.33 ? 326 T 1
+3047 C CA . GLN B 2 326 ? 198.85 169.387 158.09 1 82.33 ? 326 T 1
+3048 C C . GLN B 2 326 ? 198.455 170.83 158.388 1 82.33 ? 326 T 1
+3049 O O . GLN B 2 326 ? 198.248 171.639 157.474 1 82.33 ? 326 T 1
+3050 C CB . GLN B 2 326 ? 200.372 169.207 158.063 1 82.33 ? 326 T 1
+3051 C CG . GLN B 2 326 ? 201.131 169.804 156.883 1 82.33 ? 326 T 1
+3052 C CD . GLN B 2 326 ? 201.189 171.315 156.906 1 82.33 ? 326 T 1
+3053 O OE1 . GLN B 2 326 ? 201.205 171.932 157.971 1 82.33 ? 326 T 1
+3054 N NE2 . GLN B 2 326 ? 201.251 171.921 155.73 1 82.33 ? 326 T 1
+3055 N N . ARG B 2 327 ? 198.262 171.09 159.68 1 73.28 ? 327 T 1
+3056 C CA . ARG B 2 327 ? 197.787 172.431 160.081 1 73.28 ? 327 T 1
+3057 C C . ARG B 2 327 ? 198.581 172.916 161.287 1 73.28 ? 327 T 1
+3058 O O . ARG B 2 327 ? 199.176 172.075 161.989 1 73.28 ? 327 T 1
+3059 C CB . ARG B 2 327 ? 196.297 172.37 160.43 1 73.28 ? 327 T 1
+3060 C CG . ARG B 2 327 ? 196.002 171.587 161.702 1 73.28 ? 327 T 1
+3061 C CD . ARG B 2 327 ? 194.528 171.29 161.895 1 73.28 ? 327 T 1
+3062 N NE . ARG B 2 327 ? 194.02 170.396 160.865 1 73.28 ? 327 T 1
+3063 C CZ . ARG B 2 327 ? 194.095 169.071 160.911 1 73.28 ? 327 T 1
+3064 N NH1 . ARG B 2 327 ? 194.667 168.476 161.945 1 73.28 ? 327 T 1
+3065 N NH2 . ARG B 2 327 ? 193.603 168.346 159.924 1 73.28 ? 327 T 1
+3066 N N . TRP B 2 328 ? 198.585 174.223 161.505 1 44.19 ? 328 T 1
+3067 C CA . TRP B 2 328 ? 199.268 174.85 162.628 1 44.19 ? 328 T 1
+3068 C C . TRP B 2 328 ? 198.471 176.079 163.046 1 44.19 ? 328 T 1
+3069 O O . TRP B 2 328 ? 197.482 176.451 162.408 1 44.19 ? 328 T 1
+3070 C CB . TRP B 2 328 ? 200.719 175.191 162.269 1 44.19 ? 328 T 1
+3071 C CG . TRP B 2 328 ? 200.855 176.268 161.246 1 44.19 ? 328 T 1
+3072 C CD1 . TRP B 2 328 ? 200.974 177.606 161.477 1 44.19 ? 328 T 1
+3073 C CD2 . TRP B 2 328 ? 200.919 176.099 159.825 1 44.19 ? 328 T 1
+3074 N NE1 . TRP B 2 328 ? 201.094 178.283 160.289 1 44.19 ? 328 T 1
+3075 C CE2 . TRP B 2 328 ? 201.065 177.38 159.259 1 44.19 ? 328 T 1
+3076 C CE3 . TRP B 2 328 ? 200.862 174.99 158.977 1 44.19 ? 328 T 1
+3077 C CZ2 . TRP B 2 328 ? 201.153 177.583 157.883 1 44.19 ? 328 T 1
+3078 C CZ3 . TRP B 2 328 ? 200.95 175.193 157.611 1 44.19 ? 328 T 1
+3079 C CH2 . TRP B 2 328 ? 201.093 176.479 157.078 1 44.19 ? 328 T 1
+3080 N N . LEU B 2 329 ? 198.913 176.72 164.125 1 32.77 ? 329 T 1
+3081 C CA . LEU B 2 329 ? 198.207 177.848 164.711 1 32.77 ? 329 T 1
+3082 C C . LEU B 2 329 ? 199.058 179.104 164.598 1 32.77 ? 329 T 1
+3083 O O . LEU B 2 329 ? 200.208 179.066 164.155 1 32.77 ? 329 T 1
+3084 C CB . LEU B 2 329 ? 197.851 177.599 166.187 1 32.77 ? 329 T 1
+3085 C CG . LEU B 2 329 ? 196.774 176.577 166.568 1 32.77 ? 329 T 1
+3086 C CD1 . LEU B 2 329 ? 197.151 175.15 166.189 1 32.77 ? 329 T 1
+3087 C CD2 . LEU B 2 329 ? 196.468 176.671 168.056 1 32.77 ? 329 T 1
+3088 N N . SER B 2 330 ? 198.468 180.224 164.996 1 37.75 ? 330 T 1
+3089 C CA . SER B 2 330 ? 199.16 181.501 165.071 1 37.75 ? 330 T 1
+3090 C C . SER B 2 330 ? 199.136 182.024 166.501 1 37.75 ? 330 T 1
+3091 O O . SER B 2 330 ? 198.302 181.628 167.319 1 37.75 ? 330 T 1
+3092 C CB . SER B 2 330 ? 198.525 182.524 164.128 1 37.75 ? 330 T 1
+3093 O OG . SER B 2 330 ? 198.667 182.125 162.777 1 37.75 ? 330 T 1
+3094 N N . ALA B 2 331 ? 200.071 182.92 166.796 1 36.01 ? 331 T 1
+3095 C CA . ALA B 2 331 ? 200.157 183.491 168.13 1 36.01 ? 331 T 1
+3096 C C . ALA B 2 331 ? 198.965 184.401 168.402 1 36.01 ? 331 T 1
+3097 O O . ALA B 2 331 ? 198.367 184.972 167.486 1 36.01 ? 331 T 1
+3098 C CB . ALA B 2 331 ? 201.461 184.268 168.296 1 36.01 ? 331 T 1
+3099 N N . LEU B 2 332 ? 198.622 184.531 169.681 1 23.76 ? 332 T 1
+3100 C CA . LEU B 2 332 ? 197.489 185.355 170.083 1 23.76 ? 332 T 1
+3101 C C . LEU B 2 332 ? 197.809 186.828 169.863 1 23.76 ? 332 T 1
+3102 O O . LEU B 2 332 ? 198.665 187.393 170.55 1 23.76 ? 332 T 1
+3103 C CB . LEU B 2 332 ? 197.146 185.098 171.547 1 23.76 ? 332 T 1
+3104 C CG . LEU B 2 332 ? 196.607 183.711 171.887 1 23.76 ? 332 T 1
+3105 C CD1 . LEU B 2 332 ? 196.44 183.562 173.388 1 23.76 ? 332 T 1
+3106 C CD2 . LEU B 2 332 ? 195.291 183.475 171.175 1 23.76 ? 332 T 1
+3107 N N . ARG B 2 333 ? 197.121 187.452 168.911 1 20.43 ? 333 T 1
+3108 C CA . ARG B 2 333 ? 197.291 188.879 168.65 1 20.43 ? 333 T 1
+3109 C C . ARG B 2 333 ? 196.378 189.643 169.597 1 20.43 ? 333 T 1
+3110 O O . ARG B 2 333 ? 195.203 189.875 169.315 1 20.43 ? 333 T 1
+3111 C CB . ARG B 2 333 ? 196.986 189.206 167.195 1 20.43 ? 333 T 1
+3112 C CG . ARG B 2 333 ? 197.995 188.662 166.205 1 20.43 ? 333 T 1
+3113 C CD . ARG B 2 333 ? 197.8 189.291 164.833 1 20.43 ? 333 T 1
+3114 N NE . ARG B 2 333 ? 196.499 188.972 164.257 1 20.43 ? 333 T 1
+3115 C CZ . ARG B 2 333 ? 196.239 187.877 163.555 1 20.43 ? 333 T 1
+3116 N NH1 . ARG B 2 333 ? 197.168 186.963 163.328 1 20.43 ? 333 T 1
+3117 N NH2 . ARG B 2 333 ? 195.015 187.694 163.069 1 20.43 ? 333 T 1
+3118 N N . HIS B 2 334 ? 196.93 190.039 170.742 1 16.48 ? 334 T 1
+3119 C CA . HIS B 2 334 ? 196.169 190.755 171.757 1 16.48 ? 334 T 1
+3120 C C . HIS B 2 334 ? 195.699 192.117 171.27 1 16.48 ? 334 T 1
+3121 O O . HIS B 2 334 ? 196.514 193.017 171.048 1 16.48 ? 334 T 1
+3122 C CB . HIS B 2 334 ? 197.006 190.936 173.023 1 16.48 ? 334 T 1
+3123 C CG . HIS B 2 334 ? 196.918 189.788 173.977 1 16.48 ? 334 T 1
+3124 N ND1 . HIS B 2 334 ? 196.322 189.896 175.215 1 16.48 ? 334 T 1
+3125 C CD2 . HIS B 2 334 ? 197.356 188.511 173.88 1 16.48 ? 334 T 1
+3126 C CE1 . HIS B 2 334 ? 196.392 188.733 175.837 1 16.48 ? 334 T 1
+3127 N NE2 . HIS B 2 334 ? 197.015 187.876 175.049 1 16.48 ? 334 T 1
+3128 N N . HIS B 2 335 ? 194.391 192.282 171.102 1 19.27 ? 335 T 1
+3129 C CA . HIS B 2 335 ? 193.839 193.616 170.957 1 19.27 ? 335 T 1
+3130 C C . HIS B 2 335 ? 193.901 194.341 172.297 1 19.27 ? 335 T 1
+3131 O O . HIS B 2 335 ? 193.788 193.736 173.366 1 19.27 ? 335 T 1
+3132 C CB . HIS B 2 335 ? 192.403 193.555 170.442 1 19.27 ? 335 T 1
+3133 C CG . HIS B 2 335 ? 192.282 192.994 169.06 1 19.27 ? 335 T 1
+3134 N ND1 . HIS B 2 335 ? 191.852 191.709 168.813 1 19.27 ? 335 T 1
+3135 C CD2 . HIS B 2 335 ? 192.528 193.547 167.849 1 19.27 ? 335 T 1
+3136 C CE1 . HIS B 2 335 ? 191.844 191.492 167.51 1 19.27 ? 335 T 1
+3137 N NE2 . HIS B 2 335 ? 192.249 192.592 166.902 1 19.27 ? 335 T 1
+3138 N N . SER B 2 336 ? 194.093 195.66 172.23 1 22.53 ? 336 T 1
+3139 C CA . SER B 2 336 ? 194.389 196.422 173.44 1 22.53 ? 336 T 1
+3140 C C . SER B 2 336 ? 193.223 196.369 174.42 1 22.53 ? 336 T 1
+3141 O O . SER B 2 336 ? 193.41 196.571 175.626 1 22.53 ? 336 T 1
+3142 C CB . SER B 2 336 ? 194.73 197.865 173.079 1 22.53 ? 336 T 1
+3143 O OG . SER B 2 336 ? 195.985 197.944 172.427 1 22.53 ? 336 T 1
+3144 N N . ASP B 2 337 ? 192.02 196.075 173.918 1 27.87 ? 337 T 1
+3145 C CA . ASP B 2 337 ? 190.828 195.958 174.805 1 27.87 ? 337 T 1
+3146 C C . ASP B 2 337 ? 191.002 194.751 175.731 1 27.87 ? 337 T 1
+3147 O O . ASP B 2 337 ? 190.602 194.853 176.907 1 27.87 ? 337 T 1
+3148 C CB . ASP B 2 337 ? 189.539 195.858 173.986 1 27.87 ? 337 T 1
+3149 C CG . ASP B 2 337 ? 188.303 195.584 174.827 1 27.87 ? 337 T 1
+3150 O OD1 . ASP B 2 337 ? 187.585 196.553 175.143 1 27.87 ? 337 T 1
+3151 O OD2 . ASP B 2 337 ? 188.062 194.403 175.151 1 27.87 ? 337 T 1
+3152 N N . GLY B 2 338 ? 191.573 193.658 175.22 1 21.82 ? 338 T 1
+3153 C CA . GLY B 2 338 ? 191.766 192.45 175.995 1 21.82 ? 338 T 1
+3154 C C . GLY B 2 338 ? 191.374 191.226 175.195 1 21.82 ? 338 T 1
+3155 O O . GLY B 2 338 ? 191.941 190.145 175.378 1 21.82 ? 338 T 1
+3156 N N . SER B 2 339 ? 190.402 191.389 174.3 1 15.15 ? 339 T 1
+3157 C CA . SER B 2 339 ? 190.012 190.303 173.415 1 15.15 ? 339 T 1
+3158 C C . SER B 2 339 ? 191.162 189.943 172.485 1 15.15 ? 339 T 1
+3159 O O . SER B 2 339 ? 191.934 190.807 172.064 1 15.15 ? 339 T 1
+3160 C CB . SER B 2 339 ? 188.777 190.702 172.607 1 15.15 ? 339 T 1
+3161 O OG . SER B 2 339 ? 189.014 191.884 171.866 1 15.15 ? 339 T 1
+3162 N N . VAL B 2 340 ? 191.276 188.658 172.167 1 15.66 ? 340 T 1
+3163 C CA . VAL B 2 340 ? 192.384 188.149 171.376 1 15.66 ? 340 T 1
+3164 C C . VAL B 2 340 ? 191.857 187.657 170.033 1 15.66 ? 340 T 1
+3165 O O . VAL B 2 340 ? 190.657 187.666 169.766 1 15.66 ? 340 T 1
+3166 C CB . VAL B 2 340 ? 193.149 187.038 172.112 1 15.66 ? 340 T 1
+3167 C CG1 . VAL B 2 340 ? 193.55 187.514 173.493 1 15.66 ? 340 T 1
+3168 C CG2 . VAL B 2 340 ? 192.297 185.792 172.203 1 15.66 ? 340 T 1
+3169 N N . SER B 2 341 ? 192.78 187.226 169.176 1 18.96 ? 341 T 1
+3170 C CA . SER B 2 341 ? 192.431 186.763 167.84 1 18.96 ? 341 T 1
+3171 C C . SER B 2 341 ? 193.59 185.968 167.26 1 18.96 ? 341 T 1
+3172 O O . SER B 2 341 ? 194.713 186.473 167.189 1 18.96 ? 341 T 1
+3173 C CB . SER B 2 341 ? 192.088 187.94 166.923 1 18.96 ? 341 T 1
+3174 O OG . SER B 2 341 ? 190.881 188.56 167.323 1 18.96 ? 341 T 1
+3175 N N . LEU B 2 342 ? 193.312 184.739 166.834 1 26.35 ? 342 T 1
+3176 C CA . LEU B 2 342 ? 194.322 183.879 166.237 1 26.35 ? 342 T 1
+3177 C C . LEU B 2 342 ? 193.828 183.411 164.877 1 26.35 ? 342 T 1
+3178 O O . LEU B 2 342 ? 192.653 183.559 164.533 1 26.35 ? 342 T 1
+3179 C CB . LEU B 2 342 ? 194.657 182.689 167.149 1 26.35 ? 342 T 1
+3180 C CG . LEU B 2 342 ? 193.57 181.67 167.506 1 26.35 ? 342 T 1
+3181 C CD1 . LEU B 2 342 ? 193.454 180.566 166.461 1 26.35 ? 342 T 1
+3182 C CD2 . LEU B 2 342 ? 193.835 181.075 168.879 1 26.35 ? 342 T 1
+3183 N N . SER B 2 343 ? 194.742 182.84 164.096 1 41.45 ? 343 T 1
+3184 C CA . SER B 2 343 ? 194.451 182.391 162.738 1 41.45 ? 343 T 1
+3185 C C . SER B 2 343 ? 195.11 181.036 162.515 1 41.45 ? 343 T 1
+3186 O O . SER B 2 343 ? 196.335 180.948 162.388 1 41.45 ? 343 T 1
+3187 C CB . SER B 2 343 ? 194.938 183.409 161.709 1 41.45 ? 343 T 1
+3188 O OG . SER B 2 343 ? 196.353 183.485 161.697 1 41.45 ? 343 T 1
+3189 N N . GLY B 2 344 ? 194.296 179.987 162.455 1 48.24 ? 344 T 1
+3190 C CA . GLY B 2 344 ? 194.812 178.66 162.181 1 48.24 ? 344 T 1
+3191 C C . GLY B 2 344 ? 195.001 178.409 160.7 1 48.24 ? 344 T 1
+3192 O O . GLY B 2 344 ? 194.076 178.62 159.913 1 48.24 ? 344 T 1
+3193 N N . HIS B 2 345 ? 196.182 177.952 160.299 1 50.09 ? 345 T 1
+3194 C CA . HIS B 2 345 ? 196.499 177.761 158.885 1 50.09 ? 345 T 1
+3195 C C . HIS B 2 345 ? 196.572 176.265 158.598 1 50.09 ? 345 T 1
+3196 O O . HIS B 2 345 ? 197.306 175.531 159.264 1 50.09 ? 345 T 1
+3197 C CB . HIS B 2 345 ? 197.807 178.455 158.522 1 50.09 ? 345 T 1
+3198 C CG . HIS B 2 345 ? 197.861 179.895 158.924 1 50.09 ? 345 T 1
+3199 N ND1 . HIS B 2 345 ? 199.047 180.585 159.054 1 50.09 ? 345 T 1
+3200 C CD2 . HIS B 2 345 ? 196.88 180.769 159.25 1 50.09 ? 345 T 1
+3201 C CE1 . HIS B 2 345 ? 198.793 181.827 159.425 1 50.09 ? 345 T 1
+3202 N NE2 . HIS B 2 345 ? 197.485 181.965 159.552 1 50.09 ? 345 T 1
+3203 N N . LEU B 2 346 ? 195.822 175.815 157.592 1 77.56 ? 346 T 1
+3204 C CA . LEU B 2 346 ? 195.858 174.426 157.153 1 77.56 ? 346 T 1
+3205 C C . LEU B 2 346 ? 196.274 174.356 155.691 1 77.56 ? 346 T 1
+3206 O O . LEU B 2 346 ? 195.872 175.198 154.879 1 77.56 ? 346 T 1
+3207 C CB . LEU B 2 346 ? 194.501 173.737 157.35 1 77.56 ? 346 T 1
+3208 C CG . LEU B 2 346 ? 194.439 172.224 157.092 1 77.56 ? 346 T 1
+3209 C CD1 . LEU B 2 346 ? 193.36 171.597 157.928 1 77.56 ? 346 T 1
+3210 C CD2 . LEU B 2 346 ? 194.162 171.905 155.646 1 77.56 ? 346 T 1
+3211 N N . GLN B 2 347 ? 197.077 173.347 155.366 1 84.69 ? 347 T 1
+3212 C CA . GLN B 2 347 ? 197.525 173.099 153.997 1 84.69 ? 347 T 1
+3213 C C . GLN B 2 347 ? 197.057 171.718 153.563 1 84.69 ? 347 T 1
+3214 O O . GLN B 2 347 ? 197.613 170.705 154.037 1 84.69 ? 347 T 1
+3215 C CB . GLN B 2 347 ? 199.043 173.208 153.891 1 84.69 ? 347 T 1
+3216 C CG . GLN B 2 347 ? 199.597 173.108 152.478 1 84.69 ? 347 T 1
+3217 C CD . GLN B 2 347 ? 201.093 173.392 152.411 1 84.69 ? 347 T 1
+3218 O OE1 . GLN B 2 347 ? 201.708 173.754 153.406 1 84.69 ? 347 T 1
+3219 N NE2 . GLN B 2 347 ? 201.672 173.242 151.227 1 84.69 ? 347 T 1
+3220 N N . PRO B 2 348 ? 196.054 171.62 152.674 1 86.15 ? 348 T 1
+3221 C CA . PRO B 2 348 ? 195.585 170.323 152.171 1 86.15 ? 348 T 1
+3222 C C . PRO B 2 348 ? 196.501 169.762 151.086 1 86.15 ? 348 T 1
+3223 O O . PRO B 2 348 ? 196.174 169.832 149.899 1 86.15 ? 348 T 1
+3224 C CB . PRO B 2 348 ? 194.202 170.647 151.603 1 86.15 ? 348 T 1
+3225 C CG . PRO B 2 348 ? 194.31 172.073 151.171 1 86.15 ? 348 T 1
+3226 C CD . PRO B 2 348 ? 195.229 172.735 152.173 1 86.15 ? 348 T 1
+3227 N N . ALA B 2 358 ? 182.695 169.756 146.613 1 101.4 ? 358 T 1
+3228 C CA . ALA B 2 358 ? 183.081 169.607 148.011 1 101.4 ? 358 T 1
+3229 C C . ALA B 2 358 ? 183.373 170.964 148.643 1 101.4 ? 358 T 1
+3230 O O . ALA B 2 358 ? 183.428 171.982 147.954 1 101.4 ? 358 T 1
+3231 C CB . ALA B 2 358 ? 184.288 168.692 148.133 1 101.4 ? 358 T 1
+3232 N N . ARG B 2 359 ? 183.562 170.97 149.961 1 101.06 ? 359 T 1
+3233 C CA . ARG B 2 359 ? 183.829 172.2 150.689 1 101.06 ? 359 T 1
+3234 C C . ARG B 2 359 ? 184.751 171.896 151.86 1 101.06 ? 359 T 1
+3235 O O . ARG B 2 359 ? 184.847 170.756 152.32 1 101.06 ? 359 T 1
+3236 C CB . ARG B 2 359 ? 182.534 172.854 151.184 1 101.06 ? 359 T 1
+3237 N N . TYR B 2 360 ? 185.429 172.935 152.339 1 96.57 ? 360 T 1
+3238 C CA . TYR B 2 360 ? 186.325 172.835 153.485 1 96.57 ? 360 T 1
+3239 C C . TYR B 2 360 ? 185.817 173.774 154.568 1 96.57 ? 360 T 1
+3240 O O . TYR B 2 360 ? 185.589 174.959 154.303 1 96.57 ? 360 T 1
+3241 C CB . TYR B 2 360 ? 187.762 173.187 153.096 1 96.57 ? 360 T 1
+3242 C CG . TYR B 2 360 ? 188.565 172.026 152.551 1 96.57 ? 360 T 1
+3243 C CD1 . TYR B 2 360 ? 187.957 170.821 152.231 1 96.57 ? 360 T 1
+3244 C CD2 . TYR B 2 360 ? 189.935 172.138 152.355 1 96.57 ? 360 T 1
+3245 C CE1 . TYR B 2 360 ? 188.689 169.762 151.731 1 96.57 ? 360 T 1
+3246 C CE2 . TYR B 2 360 ? 190.675 171.085 151.857 1 96.57 ? 360 T 1
+3247 C CZ . TYR B 2 360 ? 190.047 169.899 151.548 1 96.57 ? 360 T 1
+3248 O OH . TYR B 2 360 ? 190.781 168.847 151.051 1 96.57 ? 360 T 1
+3249 N N . ALA B 2 361 ? 185.638 173.255 155.781 1 94.48 ? 361 T 1
+3250 C CA . ALA B 2 361 ? 185.077 174.044 156.866 1 94.48 ? 361 T 1
+3251 C C . ALA B 2 361 ? 185.956 173.942 158.101 1 94.48 ? 361 T 1
+3252 O O . ALA B 2 361 ? 186.545 172.891 158.376 1 94.48 ? 361 T 1
+3253 C CB . ALA B 2 361 ? 183.652 173.592 157.204 1 94.48 ? 361 T 1
+3254 N N . CYS B 2 362 ? 186.052 175.047 158.834 1 80.04 ? 362 T 1
+3255 C CA . CYS B 2 362 ? 186.713 175.074 160.129 1 80.04 ? 362 T 1
+3256 C C . CYS B 2 362 ? 185.678 175.374 161.203 1 80.04 ? 362 T 1
+3257 O O . CYS B 2 362 ? 184.881 176.309 161.066 1 80.04 ? 362 T 1
+3258 C CB . CYS B 2 362 ? 187.851 176.1 160.165 1 80.04 ? 362 T 1
+3259 S SG . CYS B 2 362 ? 187.379 177.842 160.056 1 80.04 ? 362 T 1
+3260 N N . ARG B 2 363 ? 185.678 174.562 162.252 1 73.86 ? 363 T 1
+3261 C CA . ARG B 2 363 ? 184.769 174.709 163.375 1 73.86 ? 363 T 1
+3262 C C . ARG B 2 363 ? 185.555 175.153 164.599 1 73.86 ? 363 T 1
+3263 O O . ARG B 2 363 ? 186.528 174.5 164.992 1 73.86 ? 363 T 1
+3264 C CB . ARG B 2 363 ? 184.033 173.399 163.66 1 73.86 ? 363 T 1
+3265 N N . ILE B 2 364 ? 185.136 176.263 165.19 1 66.52 ? 364 T 1
+3266 C CA . ILE B 2 364 ? 185.721 176.776 166.42 1 66.52 ? 364 T 1
+3267 C C . ILE B 2 364 ? 184.932 176.196 167.585 1 66.52 ? 364 T 1
+3268 O O . ILE B 2 364 ? 183.696 176.143 167.546 1 66.52 ? 364 T 1
+3269 C CB . ILE B 2 364 ? 185.731 178.314 166.442 1 66.52 ? 364 T 1
+3270 C CG1 . ILE B 2 364 ? 186.565 178.833 167.612 1 66.52 ? 364 T 1
+3271 C CG2 . ILE B 2 364 ? 184.322 178.884 166.443 1 66.52 ? 364 T 1
+3272 C CD1 . ILE B 2 364 ? 186.88 180.301 167.513 1 66.52 ? 364 T 1
+3273 N N . HIS B 2 365 ? 185.641 175.717 168.6 1 65.86 ? 365 T 1
+3274 C CA . HIS B 2 365 ? 185.027 175.184 169.81 1 65.86 ? 365 T 1
+3275 C C . HIS B 2 365 ? 185.475 176.076 170.963 1 65.86 ? 365 T 1
+3276 O O . HIS B 2 365 ? 186.618 176.005 171.42 1 65.86 ? 365 T 1
+3277 C CB . HIS B 2 365 ? 185.413 173.726 170.031 1 65.86 ? 365 T 1
+3278 C CG . HIS B 2 365 ? 184.497 172.753 169.356 1 65.86 ? 365 T 1
+3279 N ND1 . HIS B 2 365 ? 184.147 171.545 169.92 1 65.86 ? 365 T 1
+3280 C CD2 . HIS B 2 365 ? 183.852 172.815 168.167 1 65.86 ? 365 T 1
+3281 C CE1 . HIS B 2 365 ? 183.331 170.902 169.104 1 65.86 ? 365 T 1
+3282 N NE2 . HIS B 2 365 ? 183.136 171.65 168.034 1 65.86 ? 365 T 1
+3283 N N . HIS B 2 366 ? 184.569 176.932 171.41 1 32.19 ? 366 T 1
+3284 C CA . HIS B 2 366 ? 184.781 177.857 172.504 1 32.19 ? 366 T 1
+3285 C C . HIS B 2 366 ? 183.643 177.738 173.51 1 32.19 ? 366 T 1
+3286 O O . HIS B 2 366 ? 182.484 177.575 173.113 1 32.19 ? 366 T 1
+3287 C CB . HIS B 2 366 ? 184.868 179.298 171.986 1 32.19 ? 366 T 1
+3288 C CG . HIS B 2 366 ? 185.315 180.289 173.014 1 32.19 ? 366 T 1
+3289 N ND1 . HIS B 2 366 ? 184.44 181.124 173.673 1 32.19 ? 366 T 1
+3290 C CD2 . HIS B 2 366 ? 186.547 180.581 173.492 1 32.19 ? 366 T 1
+3291 C CE1 . HIS B 2 366 ? 185.113 181.887 174.515 1 32.19 ? 366 T 1
+3292 N NE2 . HIS B 2 366 ? 186.394 181.577 174.425 1 32.19 ? 366 T 1
+3293 N N . PRO B 2 367 ? 183.942 177.792 174.809 1 35.18 ? 367 T 1
+3294 C CA . PRO B 2 367 ? 182.878 177.631 175.815 1 35.18 ? 367 T 1
+3295 C C . PRO B 2 367 ? 181.746 178.641 175.694 1 35.18 ? 367 T 1
+3296 O O . PRO B 2 367 ? 180.586 178.29 175.936 1 35.18 ? 367 T 1
+3297 C CB . PRO B 2 367 ? 183.637 177.79 177.138 1 35.18 ? 367 T 1
+3298 C CG . PRO B 2 367 ? 185.025 177.354 176.825 1 35.18 ? 367 T 1
+3299 C CD . PRO B 2 367 ? 185.285 177.797 175.415 1 35.18 ? 367 T 1
+3300 N N . SER B 2 368 ? 182.076 179.888 175.344 1 35.36 ? 368 T 1
+3301 C CA . SER B 2 368 ? 181.04 180.954 175.272 1 35.36 ? 368 T 1
+3302 C C . SER B 2 368 ? 180.003 180.598 174.203 1 35.36 ? 368 T 1
+3303 O O . SER B 2 368 ? 178.8 180.596 174.529 1 35.36 ? 368 T 1
+3304 C CB . SER B 2 368 ? 181.658 182.302 175.002 1 35.36 ? 368 T 1
+3305 O OG . SER B 2 368 ? 182.017 182.43 173.634 1 35.36 ? 368 T 1
+3306 N N . LEU B 2 369 ? 180.453 180.31 172.979 1 44.96 ? 369 T 1
+3307 C CA . LEU B 2 369 ? 179.546 179.987 171.893 1 44.96 ? 369 T 1
+3308 C C . LEU B 2 369 ? 178.924 178.609 172.111 1 44.96 ? 369 T 1
+3309 O O . LEU B 2 369 ? 179.46 177.794 172.867 1 44.96 ? 369 T 1
+3310 C CB . LEU B 2 369 ? 180.284 180.041 170.555 1 44.96 ? 369 T 1
+3311 C CG . LEU B 2 369 ? 181.535 179.183 170.344 1 44.96 ? 369 T 1
+3312 C CD1 . LEU B 2 369 ? 181.23 177.752 169.943 1 44.96 ? 369 T 1
+3313 C CD2 . LEU B 2 369 ? 182.405 179.836 169.298 1 44.96 ? 369 T 1
+3314 N N . PRO B 2 370 ? 177.771 178.332 171.474 1 56.23 ? 370 T 1
+3315 C CA . PRO B 2 370 ? 177.167 176.996 171.586 1 56.23 ? 370 T 1
+3316 C C . PRO B 2 370 ? 178.156 175.892 171.257 1 56.23 ? 370 T 1
+3317 O O . PRO B 2 370 ? 178.763 175.898 170.182 1 56.23 ? 370 T 1
+3318 C CB . PRO B 2 370 ? 176.021 177.05 170.57 1 56.23 ? 370 T 1
+3319 C CG . PRO B 2 370 ? 175.629 178.485 170.548 1 56.23 ? 370 T 1
+3320 C CD . PRO B 2 370 ? 176.91 179.261 170.718 1 56.23 ? 370 T 1
+3321 N N . ALA B 2 371 ? 178.303 174.925 172.169 1 76.42 ? 371 T 1
+3322 C CA . ALA B 2 371 ? 179.388 173.952 172.088 1 76.42 ? 371 T 1
+3323 C C . ALA B 2 371 ? 179.404 173.18 170.775 1 76.42 ? 371 T 1
+3324 O O . ALA B 2 371 ? 180.375 172.466 170.501 1 76.42 ? 371 T 1
+3325 C CB . ALA B 2 371 ? 179.3 172.973 173.262 1 76.42 ? 371 T 1
+3326 N N . SER B 2 372 ? 178.351 173.294 169.965 1 76.09 ? 372 T 1
+3327 C CA . SER B 2 372 ? 178.371 172.7 168.634 1 76.09 ? 372 T 1
+3328 C C . SER B 2 372 ? 179.471 173.318 167.778 1 76.09 ? 372 T 1
+3329 O O . SER B 2 372 ? 180.188 172.614 167.058 1 76.09 ? 372 T 1
+3330 C CB . SER B 2 372 ? 177.004 172.867 167.973 1 76.09 ? 372 T 1
+3331 O OG . SER B 2 372 ? 176.653 174.236 167.871 1 76.09 ? 372 T 1
+3332 N N . GLY B 2 373 ? 179.619 174.639 167.848 1 65.41 ? 373 T 1
+3333 C CA . GLY B 2 373 ? 180.688 175.314 167.141 1 65.41 ? 373 T 1
+3334 C C . GLY B 2 373 ? 180.222 176.217 166.019 1 65.41 ? 373 T 1
+3335 O O . GLY B 2 373 ? 179.615 175.752 165.05 1 65.41 ? 373 T 1
+3336 N N . ARG B 2 374 ? 180.501 177.514 166.136 1 53.85 ? 374 T 1
+3337 C CA . ARG B 2 374 ? 180.169 178.475 165.086 1 53.85 ? 374 T 1
+3338 C C . ARG B 2 374 ? 181.185 178.306 163.966 1 53.85 ? 374 T 1
+3339 O O . ARG B 2 374 ? 182.172 179.036 163.872 1 53.85 ? 374 T 1
+3340 C CB . ARG B 2 374 ? 180.166 179.897 165.631 1 53.85 ? 374 T 1
+3341 C CG . ARG B 2 374 ? 179.57 180.918 164.674 1 53.85 ? 374 T 1
+3342 C CD . ARG B 2 374 ? 179.547 182.312 165.279 1 53.85 ? 374 T 1
+3343 N NE . ARG B 2 374 ? 178.901 182.334 166.585 1 53.85 ? 374 T 1
+3344 C CZ . ARG B 2 374 ? 178.56 183.439 167.232 1 53.85 ? 374 T 1
+3345 N NH1 . ARG B 2 374 ? 178.778 184.637 166.716 1 53.85 ? 374 T 1
+3346 N NH2 . ARG B 2 374 ? 177.983 183.34 168.426 1 53.85 ? 374 T 1
+3347 N N . SER B 2 375 ? 180.941 177.324 163.106 1 69.86 ? 375 T 1
+3348 C CA . SER B 2 375 ? 181.867 176.975 162.041 1 69.86 ? 375 T 1
+3349 C C . SER B 2 375 ? 181.67 177.873 160.825 1 69.86 ? 375 T 1
+3350 O O . SER B 2 375 ? 180.627 178.505 160.645 1 69.86 ? 375 T 1
+3351 C CB . SER B 2 375 ? 181.692 175.511 161.638 1 69.86 ? 375 T 1
+3352 O OG . SER B 2 375 ? 180.382 175.269 161.157 1 69.86 ? 375 T 1
+3353 N N . ALA B 2 376 ? 182.7 177.92 159.984 1 79.7 ? 376 T 1
+3354 C CA . ALA B 2 376 ? 182.643 178.62 158.712 1 79.7 ? 376 T 1
+3355 C C . ALA B 2 376 ? 183.195 177.716 157.62 1 79.7 ? 376 T 1
+3356 O O . ALA B 2 376 ? 184.204 177.03 157.803 1 79.7 ? 376 T 1
+3357 C CB . ALA B 2 376 ? 183.425 179.939 158.749 1 79.7 ? 376 T 1
+3358 N N . GLU B 2 377 ? 182.53 177.736 156.469 1 87.31 ? 377 T 1
+3359 C CA . GLU B 2 377 ? 182.851 176.84 155.371 1 87.31 ? 377 T 1
+3360 C C . GLU B 2 377 ? 183.094 177.627 154.091 1 87.31 ? 377 T 1
+3361 O O . GLU B 2 377 ? 182.544 178.712 153.884 1 87.31 ? 377 T 1
+3362 C CB . GLU B 2 377 ? 181.728 175.82 155.143 1 87.31 ? 377 T 1
+3363 N N . VAL B 2 378 ? 183.936 177.059 153.232 1 95.7 ? 378 T 1
+3364 C CA . VAL B 2 378 ? 184.199 177.604 151.907 1 95.7 ? 378 T 1
+3365 C C . VAL B 2 378 ? 184.015 176.489 150.887 1 95.7 ? 378 T 1
+3366 O O . VAL B 2 378 ? 184.61 175.412 151.013 1 95.7 ? 378 T 1
+3367 C CB . VAL B 2 378 ? 185.609 178.215 151.818 1 95.7 ? 378 T 1
+3368 N N . THR B 2 379 ? 183.186 176.738 149.879 1 95.64 ? 379 T 1
+3369 C CA . THR B 2 379 ? 182.909 175.745 148.848 1 95.64 ? 379 T 1
+3370 C C . THR B 2 379 ? 183.393 176.224 147.484 1 95.64 ? 379 T 1
+3371 O O . THR B 2 379 ? 183.744 177.392 147.315 1 95.64 ? 379 T 1
+3372 C CB . THR B 2 379 ? 181.405 175.422 148.767 1 95.64 ? 379 T 1
+3373 N N . ASP C 3 2 ? 202.2 187.493 237.994 1 99.51 ? 2 E 1
+3374 C CA . ASP C 3 2 ? 202.425 188.021 239.335 1 99.51 ? 2 E 1
+3375 C C . ASP C 3 2 ? 201.121 188.422 240.012 1 99.51 ? 2 E 1
+3376 O O . ASP C 3 2 ? 201.013 188.345 241.241 1 99.51 ? 2 E 1
+3377 C CB . ASP C 3 2 ? 203.379 189.215 239.276 1 99.51 ? 2 E 1
+3378 N N . VAL C 3 3 ? 200.128 188.852 239.234 1 92.98 ? 3 E 1
+3379 C CA . VAL C 3 3 ? 198.864 189.295 239.806 1 92.98 ? 3 E 1
+3380 C C . VAL C 3 3 ? 198.002 188.094 240.176 1 92.98 ? 3 E 1
+3381 O O . VAL C 3 3 ? 198.16 186.989 239.638 1 92.98 ? 3 E 1
+3382 C CB . VAL C 3 3 ? 198.127 190.219 238.822 1 92.98 ? 3 E 1
+3383 C CG1 . VAL C 3 3 ? 198.899 191.505 238.632 1 92.98 ? 3 E 1
+3384 C CG2 . VAL C 3 3 ? 197.949 189.517 237.494 1 92.98 ? 3 E 1
+3385 N N . LEU C 3 4 ? 197.081 188.313 241.109 1 94.05 ? 4 E 1
+3386 C CA . LEU C 3 4 ? 196.13 187.293 241.525 1 94.05 ? 4 E 1
+3387 C C . LEU C 3 4 ? 194.867 187.375 240.678 1 94.05 ? 4 E 1
+3388 O O . LEU C 3 4 ? 194.402 188.467 240.339 1 94.05 ? 4 E 1
+3389 C CB . LEU C 3 4 ? 195.792 187.451 243.01 1 94.05 ? 4 E 1
+3390 C CG . LEU C 3 4 ? 195.243 188.799 243.493 1 94.05 ? 4 E 1
+3391 C CD1 . LEU C 3 4 ? 193.72 188.841 243.473 1 94.05 ? 4 E 1
+3392 C CD2 . LEU C 3 4 ? 195.77 189.123 244.883 1 94.05 ? 4 E 1
+3393 N N . GLU C 3 5 ? 194.32 186.213 240.328 1 93.59 ? 5 E 1
+3394 C CA . GLU C 3 5 ? 193.087 186.139 239.552 1 93.59 ? 5 E 1
+3395 C C . GLU C 3 5 ? 191.907 186.238 240.512 1 93.59 ? 5 E 1
+3396 O O . GLU C 3 5 ? 191.627 185.301 241.266 1 93.59 ? 5 E 1
+3397 C CB . GLU C 3 5 ? 193.031 184.852 238.734 1 93.59 ? 5 E 1
+3398 C CG . GLU C 3 5 ? 191.816 184.756 237.827 1 93.59 ? 5 E 1
+3399 C CD . GLU C 3 5 ? 191.798 183.482 237.009 1 93.59 ? 5 E 1
+3400 O OE1 . GLU C 3 5 ? 192.761 182.693 237.113 1 93.59 ? 5 E 1
+3401 O OE2 . GLU C 3 5 ? 190.821 183.268 236.261 1 93.59 ? 5 E 1
+3402 N N . LEU C 3 6 ? 191.216 187.375 240.481 1 94.48 ? 6 E 1
+3403 C CA . LEU C 3 6 ? 190.157 187.683 241.441 1 94.48 ? 6 E 1
+3404 C C . LEU C 3 6 ? 188.821 187.212 240.88 1 94.48 ? 6 E 1
+3405 O O . LEU C 3 6 ? 188.013 188.004 240.395 1 94.48 ? 6 E 1
+3406 C CB . LEU C 3 6 ? 190.146 189.175 241.748 1 94.48 ? 6 E 1
+3407 C CG . LEU C 3 6 ? 189.346 189.639 242.962 1 94.48 ? 6 E 1
+3408 C CD1 . LEU C 3 6 ? 189.868 188.961 244.206 1 94.48 ? 6 E 1
+3409 C CD2 . LEU C 3 6 ? 189.441 191.149 243.103 1 94.48 ? 6 E 1
+3410 N N . THR C 3 7 ? 188.576 185.907 240.959 1 98.24 ? 7 E 1
+3411 C CA . THR C 3 7 ? 187.311 185.367 240.488 1 98.24 ? 7 E 1
+3412 C C . THR C 3 7 ? 186.175 185.772 241.429 1 98.24 ? 7 E 1
+3413 O O . THR C 3 7 ? 186.378 186.436 242.448 1 98.24 ? 7 E 1
+3414 C CB . THR C 3 7 ? 187.381 183.846 240.357 1 98.24 ? 7 E 1
+3415 O OG1 . THR C 3 7 ? 186.227 183.373 239.651 1 98.24 ? 7 E 1
+3416 C CG2 . THR C 3 7 ? 187.429 183.187 241.725 1 98.24 ? 7 E 1
+3417 N N . ASP C 3 8 ? 184.958 185.36 241.066 1 100.77 ? 8 E 1
+3418 C CA . ASP C 3 8 ? 183.777 185.788 241.81 1 100.77 ? 8 E 1
+3419 C C . ASP C 3 8 ? 183.796 185.274 243.244 1 100.77 ? 8 E 1
+3420 O O . ASP C 3 8 ? 183.614 186.05 244.191 1 100.77 ? 8 E 1
+3421 C CB . ASP C 3 8 ? 182.511 185.318 241.093 1 100.77 ? 8 E 1
+3422 C CG . ASP C 3 8 ? 181.247 185.876 241.716 1 100.77 ? 8 E 1
+3423 O OD1 . ASP C 3 8 ? 181.289 187.011 242.236 1 100.77 ? 8 E 1
+3424 O OD2 . ASP C 3 8 ? 180.212 185.178 241.687 1 100.77 ? 8 E 1
+3425 N N . ASP C 3 9 ? 184.043 183.973 243.424 1 106.49 ? 9 E 1
+3426 C CA . ASP C 3 9 ? 183.873 183.348 244.733 1 106.49 ? 9 E 1
+3427 C C . ASP C 3 9 ? 184.785 183.955 245.79 1 106.49 ? 9 E 1
+3428 O O . ASP C 3 9 ? 184.511 183.834 246.989 1 106.49 ? 9 E 1
+3429 C CB . ASP C 3 9 ? 184.12 181.842 244.628 1 106.49 ? 9 E 1
+3430 N N . ASN C 3 10 ? 185.867 184.609 245.375 1 103.14 ? 10 E 1
+3431 C CA . ASN C 3 10 ? 186.79 185.237 246.312 1 103.14 ? 10 E 1
+3432 C C . ASN C 3 10 ? 186.993 186.704 245.963 1 103.14 ? 10 E 1
+3433 O O . ASN C 3 10 ? 188.026 187.298 246.285 1 103.14 ? 10 E 1
+3434 C CB . ASN C 3 10 ? 188.127 184.495 246.351 1 103.14 ? 10 E 1
+3435 C CG . ASN C 3 10 ? 188.829 184.467 245.003 1 103.14 ? 10 E 1
+3436 O OD1 . ASN C 3 10 ? 188.396 185.105 244.044 1 103.14 ? 10 E 1
+3437 N ND2 . ASN C 3 10 ? 189.922 183.719 244.926 1 103.14 ? 10 E 1
+3438 N N . PHE C 3 11 ? 186.009 187.312 245.299 1 102.12 ? 11 E 1
+3439 C CA . PHE C 3 11 ? 186.163 188.7 244.881 1 102.12 ? 11 E 1
+3440 C C . PHE C 3 11 ? 186.077 189.629 246.086 1 102.12 ? 11 E 1
+3441 O O . PHE C 3 11 ? 187.078 190.239 246.48 1 102.12 ? 11 E 1
+3442 C CB . PHE C 3 11 ? 185.097 189.063 243.844 1 102.12 ? 11 E 1
+3443 C CG . PHE C 3 11 ? 185.169 190.486 243.362 1 102.12 ? 11 E 1
+3444 C CD1 . PHE C 3 11 ? 186.047 190.844 242.353 1 102.12 ? 11 E 1
+3445 C CD2 . PHE C 3 11 ? 184.351 191.462 243.908 1 102.12 ? 11 E 1
+3446 C CE1 . PHE C 3 11 ? 186.117 192.15 241.904 1 102.12 ? 11 E 1
+3447 C CE2 . PHE C 3 11 ? 184.415 192.769 243.462 1 102.12 ? 11 E 1
+3448 C CZ . PHE C 3 11 ? 185.299 193.113 242.458 1 102.12 ? 11 E 1
+3449 N N . GLU C 3 12 ? 184.901 189.685 246.717 1 104.93 ? 12 E 1
+3450 C CA . GLU C 3 12 ? 184.712 190.579 247.855 1 104.93 ? 12 E 1
+3451 C C . GLU C 3 12 ? 185.614 190.198 249.019 1 104.93 ? 12 E 1
+3452 O O . GLU C 3 12 ? 185.935 191.045 249.86 1 104.93 ? 12 E 1
+3453 C CB . GLU C 3 12 ? 183.247 190.572 248.293 1 104.93 ? 12 E 1
+3454 N N . SER C 3 13 ? 186.029 188.931 249.085 1 104.68 ? 13 E 1
+3455 C CA . SER C 3 13 ? 186.966 188.515 250.121 1 104.68 ? 13 E 1
+3456 C C . SER C 3 13 ? 188.314 189.203 249.954 1 104.68 ? 13 E 1
+3457 O O . SER C 3 13 ? 188.935 189.613 250.942 1 104.68 ? 13 E 1
+3458 C CB . SER C 3 13 ? 187.131 186.995 250.098 1 104.68 ? 13 E 1
+3459 N N . ARG C 3 14 ? 188.785 189.342 248.714 1 101.83 ? 14 E 1
+3460 C CA . ARG C 3 14 ? 190.114 189.9 248.492 1 101.83 ? 14 E 1
+3461 C C . ARG C 3 14 ? 190.083 191.304 247.905 1 101.83 ? 14 E 1
+3462 O O . ARG C 3 14 ? 191.143 191.918 247.739 1 101.83 ? 14 E 1
+3463 C CB . ARG C 3 14 ? 190.931 188.979 247.581 1 101.83 ? 14 E 1
+3464 C CG . ARG C 3 14 ? 190.794 187.501 247.91 1 101.83 ? 14 E 1
+3465 C CD . ARG C 3 14 ? 191.243 186.628 246.749 1 101.83 ? 14 E 1
+3466 N NE . ARG C 3 14 ? 192.69 186.457 246.722 1 101.83 ? 14 E 1
+3467 C CZ . ARG C 3 14 ? 193.339 185.701 245.846 1 101.83 ? 14 E 1
+3468 N NH1 . ARG C 3 14 ? 192.698 185.029 244.904 1 101.83 ? 14 E 1
+3469 N NH2 . ARG C 3 14 ? 194.664 185.618 245.917 1 101.83 ? 14 E 1
+3470 N N . ILE C 3 15 ? 188.9 191.827 247.589 1 101.02 ? 15 E 1
+3471 C CA . ILE C 3 15 ? 188.781 193.191 247.086 1 101.02 ? 15 E 1
+3472 C C . ILE C 3 15 ? 189.031 194.162 248.231 1 101.02 ? 15 E 1
+3473 O O . ILE C 3 15 ? 189.44 195.308 248.01 1 101.02 ? 15 E 1
+3474 C CB . ILE C 3 15 ? 187.403 193.437 246.445 1 101.02 ? 15 E 1
+3475 N N . SER C 3 16 ? 188.795 193.709 249.458 1 100.38 ? 16 E 1
+3476 C CA . SER C 3 16 ? 188.981 194.544 250.639 1 100.38 ? 16 E 1
+3477 C C . SER C 3 16 ? 190.456 194.847 250.877 1 100.38 ? 16 E 1
+3478 O O . SER C 3 16 ? 190.801 195.866 251.475 1 100.38 ? 16 E 1
+3479 C CB . SER C 3 16 ? 188.378 193.867 251.872 1 100.38 ? 16 E 1
+3480 N N . LEU C 3 23 ? 195.733 201.679 247.361 1 89.77 ? 23 E 1
+3481 C CA . LEU C 3 23 ? 194.418 201.175 246.984 1 89.77 ? 23 E 1
+3482 C C . LEU C 3 23 ? 194.55 199.959 246.076 1 89.77 ? 23 E 1
+3483 O O . LEU C 3 23 ? 195.647 199.435 245.888 1 89.77 ? 23 E 1
+3484 C CB . LEU C 3 23 ? 193.601 202.271 246.299 1 89.77 ? 23 E 1
+3485 C CG . LEU C 3 23 ? 193.449 203.562 247.107 1 89.77 ? 23 E 1
+3486 C CD1 . LEU C 3 23 ? 192.599 204.578 246.361 1 89.77 ? 23 E 1
+3487 C CD2 . LEU C 3 23 ? 192.865 203.275 248.484 1 89.77 ? 23 E 1
+3488 N N . MET C 3 24 ? 193.398 199.508 245.567 1 93.87 ? 24 E 1
+3489 C CA . MET C 3 24 ? 193.383 198.27 244.748 1 93.87 ? 24 E 1
+3490 C C . MET C 3 24 ? 193.032 198.58 243.294 1 93.87 ? 24 E 1
+3491 O O . MET C 3 24 ? 192.113 199.389 243.064 1 93.87 ? 24 E 1
+3492 C CB . MET C 3 24 ? 192.364 197.269 245.301 1 93.87 ? 24 E 1
+3493 C CG . MET C 3 24 ? 192.203 196.037 244.433 1 93.87 ? 24 E 1
+3494 S SD . MET C 3 24 ? 191.319 194.715 245.293 1 93.87 ? 24 E 1
+3495 C CE . MET C 3 24 ? 192.347 194.54 246.75 1 93.87 ? 24 E 1
+3496 N N . LEU C 3 25 ? 193.743 197.953 242.363 1 86.46 ? 25 E 1
+3497 C CA . LEU C 3 25 ? 193.503 198.097 240.932 1 86.46 ? 25 E 1
+3498 C C . LEU C 3 25 ? 193.198 196.726 240.347 1 86.46 ? 25 E 1
+3499 O O . LEU C 3 25 ? 194.006 195.8 240.475 1 86.46 ? 25 E 1
+3500 C CB . LEU C 3 25 ? 194.706 198.726 240.223 1 86.46 ? 25 E 1
+3501 C CG . LEU C 3 25 ? 194.636 198.683 238.696 1 86.46 ? 25 E 1
+3502 C CD1 . LEU C 3 25 ? 193.406 199.424 238.197 1 86.46 ? 25 E 1
+3503 C CD2 . LEU C 3 25 ? 195.893 199.25 238.068 1 86.46 ? 25 E 1
+3504 N N . VAL C 3 26 ? 192.033 196.599 239.716 1 81.27 ? 26 E 1
+3505 C CA . VAL C 3 26 ? 191.599 195.366 239.07 1 81.27 ? 26 E 1
+3506 C C . VAL C 3 26 ? 191.185 195.689 237.643 1 81.27 ? 26 E 1
+3507 O O . VAL C 3 26 ? 190.432 196.642 237.412 1 81.27 ? 26 E 1
+3508 C CB . VAL C 3 26 ? 190.443 194.703 239.838 1 81.27 ? 26 E 1
+3509 C CG1 . VAL C 3 26 ? 189.953 193.499 239.085 1 81.27 ? 26 E 1
+3510 C CG2 . VAL C 3 26 ? 190.901 194.304 241.231 1 81.27 ? 26 E 1
+3511 N N . GLU C 3 27 ? 191.676 194.904 236.689 1 76.68 ? 27 E 1
+3512 C CA . GLU C 3 27 ? 191.353 195.094 235.278 1 76.68 ? 27 E 1
+3513 C C . GLU C 3 27 ? 190.513 193.901 234.834 1 76.68 ? 27 E 1
+3514 O O . GLU C 3 27 ? 190.932 192.749 234.962 1 76.68 ? 27 E 1
+3515 C CB . GLU C 3 27 ? 192.613 195.26 234.429 1 76.68 ? 27 E 1
+3516 C CG . GLU C 3 27 ? 193.585 194.101 234.396 1 76.68 ? 27 E 1
+3517 C CD . GLU C 3 27 ? 193.203 193.091 233.334 1 76.68 ? 27 E 1
+3518 O OE1 . GLU C 3 27 ? 192.45 193.451 232.414 1 76.68 ? 27 E 1
+3519 O OE2 . GLU C 3 27 ? 193.651 191.931 233.412 1 76.68 ? 27 E 1
+3520 N N . PHE C 3 28 ? 189.293 194.172 234.393 1 65.87 ? 28 E 1
+3521 C CA . PHE C 3 28 ? 188.479 193.134 233.78 1 65.87 ? 28 E 1
+3522 C C . PHE C 3 28 ? 188.953 192.902 232.351 1 65.87 ? 28 E 1
+3523 O O . PHE C 3 28 ? 189.288 193.855 231.642 1 65.87 ? 28 E 1
+3524 C CB . PHE C 3 28 ? 187.014 193.549 233.815 1 65.87 ? 28 E 1
+3525 C CG . PHE C 3 28 ? 186.495 193.771 235.203 1 65.87 ? 28 E 1
+3526 C CD1 . PHE C 3 28 ? 186.913 192.966 236.245 1 65.87 ? 28 E 1
+3527 C CD2 . PHE C 3 28 ? 185.622 194.804 235.475 1 65.87 ? 28 E 1
+3528 C CE1 . PHE C 3 28 ? 186.448 193.171 237.528 1 65.87 ? 28 E 1
+3529 C CE2 . PHE C 3 28 ? 185.15 195.016 236.757 1 65.87 ? 28 E 1
+3530 C CZ . PHE C 3 28 ? 185.566 194.198 237.785 1 65.87 ? 28 E 1
+3531 N N . PHE C 3 29 ? 188.994 191.642 231.922 1 70.15 ? 29 E 1
+3532 C CA . PHE C 3 29 ? 189.495 191.333 230.591 1 70.15 ? 29 E 1
+3533 C C . PHE C 3 29 ? 188.805 190.092 230.045 1 70.15 ? 29 E 1
+3534 O O . PHE C 3 29 ? 188.278 189.264 230.791 1 70.15 ? 29 E 1
+3535 C CB . PHE C 3 29 ? 191.017 191.128 230.588 1 70.15 ? 29 E 1
+3536 C CG . PHE C 3 29 ? 191.444 189.711 230.852 1 70.15 ? 29 E 1
+3537 C CD1 . PHE C 3 29 ? 191.436 189.193 232.135 1 70.15 ? 29 E 1
+3538 C CD2 . PHE C 3 29 ? 191.873 188.9 229.815 1 70.15 ? 29 E 1
+3539 C CE1 . PHE C 3 29 ? 191.833 187.891 232.378 1 70.15 ? 29 E 1
+3540 C CE2 . PHE C 3 29 ? 192.271 187.598 230.05 1 70.15 ? 29 E 1
+3541 C CZ . PHE C 3 29 ? 192.252 187.094 231.334 1 70.15 ? 29 E 1
+3542 N N . ALA C 3 30 ? 188.828 189.977 228.718 1 64.43 ? 30 E 1
+3543 C CA . ALA C 3 30 ? 188.305 188.838 227.986 1 64.43 ? 30 E 1
+3544 C C . ALA C 3 30 ? 189.375 188.323 227.035 1 64.43 ? 30 E 1
+3545 O O . ALA C 3 30 ? 189.905 189.092 226.225 1 64.43 ? 30 E 1
+3546 C CB . ALA C 3 30 ? 187.042 189.215 227.2 1 64.43 ? 30 E 1
+3547 N N . PRO C 3 31 ? 189.702 187.03 227.098 1 61.22 ? 31 E 1
+3548 C CA . PRO C 3 31 ? 190.89 186.533 226.381 1 61.22 ? 31 E 1
+3549 C C . PRO C 3 31 ? 190.862 186.755 224.876 1 61.22 ? 31 E 1
+3550 O O . PRO C 3 31 ? 191.921 186.961 224.272 1 61.22 ? 31 E 1
+3551 C CB . PRO C 3 31 ? 190.897 185.037 226.729 1 61.22 ? 31 E 1
+3552 C CG . PRO C 3 31 ? 190.116 184.936 227.995 1 61.22 ? 31 E 1
+3553 C CD . PRO C 3 31 ? 189.041 185.969 227.873 1 61.22 ? 31 E 1
+3554 N N . TRP C 3 32 ? 189.684 186.715 224.251 1 47.61 ? 32 E 1
+3555 C CA . TRP C 3 32 ? 189.623 186.823 222.796 1 47.61 ? 32 E 1
+3556 C C . TRP C 3 32 ? 189.987 188.22 222.308 1 47.61 ? 32 E 1
+3557 O O . TRP C 3 32 ? 190.566 188.362 221.225 1 47.61 ? 32 E 1
+3558 C CB . TRP C 3 32 ? 188.233 186.431 222.299 1 47.61 ? 32 E 1
+3559 C CG . TRP C 3 32 ? 187.118 187.118 223.017 1 47.61 ? 32 E 1
+3560 C CD1 . TRP C 3 32 ? 186.437 186.656 224.102 1 47.61 ? 32 E 1
+3561 C CD2 . TRP C 3 32 ? 186.538 188.384 222.689 1 47.61 ? 32 E 1
+3562 N NE1 . TRP C 3 32 ? 185.474 187.559 224.478 1 47.61 ? 32 E 1
+3563 C CE2 . TRP C 3 32 ? 185.515 188.629 223.624 1 47.61 ? 32 E 1
+3564 C CE3 . TRP C 3 32 ? 186.785 189.336 221.696 1 47.61 ? 32 E 1
+3565 C CZ2 . TRP C 3 32 ? 184.743 189.785 223.599 1 47.61 ? 32 E 1
+3566 C CZ3 . TRP C 3 32 ? 186.019 190.483 221.673 1 47.61 ? 32 E 1
+3567 C CH2 . TRP C 3 32 ? 185.009 190.697 222.617 1 47.61 ? 32 E 1
+3568 N N . CYS C 3 33 ? 189.657 189.254 223.078 1 68.77 ? 33 E 1
+3569 C CA . CYS C 3 33 ? 189.93 190.624 222.66 1 68.77 ? 33 E 1
+3570 C C . CYS C 3 33 ? 191.43 190.873 222.586 1 68.77 ? 33 E 1
+3571 O O . CYS C 3 33 ? 192.18 190.488 223.488 1 68.77 ? 33 E 1
+3572 C CB . CYS C 3 33 ? 189.273 191.61 223.625 1 68.77 ? 33 E 1
+3573 S SG . CYS C 3 33 ? 189.472 193.35 223.17 1 68.77 ? 33 E 1
+3574 N N . GLY C 3 34 ? 191.865 191.519 221.504 1 84.3 ? 34 E 1
+3575 C CA . GLY C 3 34 ? 193.279 191.815 221.353 1 84.3 ? 34 E 1
+3576 C C . GLY C 3 34 ? 193.734 192.969 222.224 1 84.3 ? 34 E 1
+3577 O O . GLY C 3 34 ? 194.928 193.118 222.498 1 84.3 ? 34 E 1
+3578 N N . HIS C 3 35 ? 192.792 193.805 222.668 1 79.46 ? 35 E 1
+3579 C CA . HIS C 3 35 ? 193.154 194.962 223.479 1 79.46 ? 35 E 1
+3580 C C . HIS C 3 35 ? 193.749 194.542 224.817 1 79.46 ? 35 E 1
+3581 O O . HIS C 3 35 ? 194.74 195.123 225.274 1 79.46 ? 35 E 1
+3582 C CB . HIS C 3 35 ? 191.934 195.857 223.689 1 79.46 ? 35 E 1
+3583 C CG . HIS C 3 35 ? 191.726 196.856 222.595 1 79.46 ? 35 E 1
+3584 N ND1 . HIS C 3 35 ? 192.707 197.737 222.195 1 79.46 ? 35 E 1
+3585 C CD2 . HIS C 3 35 ? 190.651 197.109 221.812 1 79.46 ? 35 E 1
+3586 C CE1 . HIS C 3 35 ? 192.244 198.493 221.216 1 79.46 ? 35 E 1
+3587 N NE2 . HIS C 3 35 ? 190.999 198.132 220.964 1 79.46 ? 35 E 1
+3588 N N . CYS C 3 36 ? 193.156 193.536 225.465 1 85.23 ? 36 E 1
+3589 C CA . CYS C 3 36 ? 193.677 193.081 226.75 1 85.23 ? 36 E 1
+3590 C C . CYS C 3 36 ? 195.03 192.403 226.582 1 85.23 ? 36 E 1
+3591 O O . CYS C 3 36 ? 195.947 192.618 227.384 1 85.23 ? 36 E 1
+3592 C CB . CYS C 3 36 ? 192.686 192.129 227.415 1 85.23 ? 36 E 1
+3593 S SG . CYS C 3 36 ? 192.588 190.522 226.611 1 85.23 ? 36 E 1
+3594 N N . LYS C 3 37 ? 195.168 191.567 225.55 1 88.58 ? 37 E 1
+3595 C CA . LYS C 3 37 ? 196.438 190.89 225.313 1 88.58 ? 37 E 1
+3596 C C . LYS C 3 37 ? 197.54 191.875 224.949 1 88.58 ? 37 E 1
+3597 O O . LYS C 3 37 ? 198.714 191.624 225.242 1 88.58 ? 37 E 1
+3598 C CB . LYS C 3 37 ? 196.276 189.842 224.212 1 88.58 ? 37 E 1
+3599 N N . ARG C 3 38 ? 197.184 192.991 224.309 1 87.1 ? 38 E 1
+3600 C CA . ARG C 3 38 ? 198.177 194.003 223.965 1 87.1 ? 38 E 1
+3601 C C . ARG C 3 38 ? 198.808 194.601 225.218 1 87.1 ? 38 E 1
+3602 O O . ARG C 3 38 ? 200.025 194.81 225.275 1 87.1 ? 38 E 1
+3603 C CB . ARG C 3 38 ? 197.529 195.095 223.112 1 87.1 ? 38 E 1
+3604 C CG . ARG C 3 38 ? 198.496 196.146 222.6 1 87.1 ? 38 E 1
+3605 C CD . ARG C 3 38 ? 197.757 197.266 221.887 1 87.1 ? 38 E 1
+3606 N NE . ARG C 3 38 ? 197.123 196.811 220.656 1 87.1 ? 38 E 1
+3607 C CZ . ARG C 3 38 ? 197.732 196.74 219.48 1 87.1 ? 38 E 1
+3608 N NH1 . ARG C 3 38 ? 199.001 197.087 219.336 1 87.1 ? 38 E 1
+3609 N NH2 . ARG C 3 38 ? 197.051 196.312 218.421 1 87.1 ? 38 E 1
+3610 N N . LEU C 3 39 ? 197.992 194.882 226.233 1 85.18 ? 39 E 1
+3611 C CA . LEU C 3 39 ? 198.477 195.485 227.467 1 85.18 ? 39 E 1
+3612 C C . LEU C 3 39 ? 198.874 194.463 228.524 1 85.18 ? 39 E 1
+3613 O O . LEU C 3 39 ? 199.383 194.86 229.578 1 85.18 ? 39 E 1
+3614 C CB . LEU C 3 39 ? 197.417 196.444 228.032 1 85.18 ? 39 E 1
+3615 C CG . LEU C 3 39 ? 196.111 195.932 228.655 1 85.18 ? 39 E 1
+3616 C CD1 . LEU C 3 39 ? 196.248 195.519 230.118 1 85.18 ? 39 E 1
+3617 C CD2 . LEU C 3 39 ? 195.039 196.993 228.508 1 85.18 ? 39 E 1
+3618 N N . ALA C 3 40 ? 198.649 193.17 228.278 1 87.61 ? 40 E 1
+3619 C CA . ALA C 3 40 ? 199.044 192.13 229.233 1 87.61 ? 40 E 1
+3620 C C . ALA C 3 40 ? 200.496 192.216 229.695 1 87.61 ? 40 E 1
+3621 O O . ALA C 3 40 ? 200.723 192.196 230.912 1 87.61 ? 40 E 1
+3622 C CB . ALA C 3 40 ? 198.754 190.75 228.621 1 87.61 ? 40 E 1
+3623 N N . PRO C 3 41 ? 201.513 192.328 228.816 1 89.09 ? 41 E 1
+3624 C CA . PRO C 3 41 ? 202.877 192.504 229.334 1 89.09 ? 41 E 1
+3625 C C . PRO C 3 41 ? 203.051 193.864 229.988 1 89.09 ? 41 E 1
+3626 O O . PRO C 3 41 ? 203.779 193.998 230.976 1 89.09 ? 41 E 1
+3627 C CB . PRO C 3 41 ? 203.768 192.34 228.093 1 89.09 ? 41 E 1
+3628 C CG . PRO C 3 41 ? 202.856 192.259 226.916 1 89.09 ? 41 E 1
+3629 C CD . PRO C 3 41 ? 201.457 192.509 227.355 1 89.09 ? 41 E 1
+3630 N N . GLU C 3 42 ? 202.37 194.879 229.451 1 88.53 ? 42 E 1
+3631 C CA . GLU C 3 42 ? 202.379 196.191 230.088 1 88.53 ? 42 E 1
+3632 C C . GLU C 3 42 ? 201.743 196.131 231.469 1 88.53 ? 42 E 1
+3633 O O . GLU C 3 42 ? 202.245 196.739 232.422 1 88.53 ? 42 E 1
+3634 C CB . GLU C 3 42 ? 201.656 197.21 229.207 1 88.53 ? 42 E 1
+3635 N N . TYR C 3 43 ? 200.635 195.397 231.599 1 87.08 ? 43 E 1
+3636 C CA . TYR C 3 43 ? 199.995 195.255 232.903 1 87.08 ? 43 E 1
+3637 C C . TYR C 3 43 ? 200.892 194.502 233.877 1 87.08 ? 43 E 1
+3638 O O . TYR C 3 43 ? 200.963 194.849 235.061 1 87.08 ? 43 E 1
+3639 C CB . TYR C 3 43 ? 198.649 194.548 232.757 1 87.08 ? 43 E 1
+3640 C CG . TYR C 3 43 ? 197.86 194.487 234.041 1 87.08 ? 43 E 1
+3641 C CD1 . TYR C 3 43 ? 197.198 195.606 234.523 1 87.08 ? 43 E 1
+3642 C CD2 . TYR C 3 43 ? 197.778 193.312 234.773 1 87.08 ? 43 E 1
+3643 C CE1 . TYR C 3 43 ? 196.476 195.557 235.696 1 87.08 ? 43 E 1
+3644 C CE2 . TYR C 3 43 ? 197.058 193.253 235.948 1 87.08 ? 43 E 1
+3645 C CZ . TYR C 3 43 ? 196.409 194.378 236.405 1 87.08 ? 43 E 1
+3646 O OH . TYR C 3 43 ? 195.69 194.322 237.576 1 87.08 ? 43 E 1
+3647 N N . GLU C 3 44 ? 201.584 193.465 233.398 1 88.51 ? 44 E 1
+3648 C CA . GLU C 3 44 ? 202.515 192.742 234.26 1 88.51 ? 44 E 1
+3649 C C . GLU C 3 44 ? 203.658 193.642 234.716 1 88.51 ? 44 E 1
+3650 O O . GLU C 3 44 ? 204.057 193.61 235.887 1 88.51 ? 44 E 1
+3651 C CB . GLU C 3 44 ? 203.069 191.513 233.536 1 88.51 ? 44 E 1
+3652 C CG . GLU C 3 44 ? 202.024 190.457 233.215 1 88.51 ? 44 E 1
+3653 C CD . GLU C 3 44 ? 201.309 189.952 234.455 1 88.51 ? 44 E 1
+3654 O OE1 . GLU C 3 44 ? 201.976 189.766 235.493 1 88.51 ? 44 E 1
+3655 O OE2 . GLU C 3 44 ? 200.08 189.74 234.388 1 88.51 ? 44 E 1
+3656 N N . ALA C 3 45 ? 204.195 194.455 233.803 1 88.49 ? 45 E 1
+3657 C CA . ALA C 3 45 ? 205.26 195.384 234.167 1 88.49 ? 45 E 1
+3658 C C . ALA C 3 45 ? 204.769 196.402 235.188 1 88.49 ? 45 E 1
+3659 O O . ALA C 3 45 ? 205.488 196.745 236.133 1 88.49 ? 45 E 1
+3660 C CB . ALA C 3 45 ? 205.797 196.083 232.919 1 88.49 ? 45 E 1
+3661 N N . ALA C 3 46 ? 203.544 196.901 235.008 1 90.47 ? 46 E 1
+3662 C CA . ALA C 3 46 ? 202.972 197.827 235.979 1 90.47 ? 46 E 1
+3663 C C . ALA C 3 46 ? 202.792 197.167 237.339 1 90.47 ? 46 E 1
+3664 O O . ALA C 3 46 ? 203.023 197.804 238.373 1 90.47 ? 46 E 1
+3665 C CB . ALA C 3 46 ? 201.636 198.367 235.47 1 90.47 ? 46 E 1
+3666 N N . ALA C 3 47 ? 202.372 195.901 237.359 1 90.52 ? 47 E 1
+3667 C CA . ALA C 3 47 ? 202.236 195.183 238.622 1 90.52 ? 47 E 1
+3668 C C . ALA C 3 47 ? 203.584 195.035 239.315 1 90.52 ? 47 E 1
+3669 O O . ALA C 3 47 ? 203.692 195.212 240.535 1 90.52 ? 47 E 1
+3670 C CB . ALA C 3 47 ? 201.601 193.816 238.379 1 90.52 ? 47 E 1
+3671 N N . THR C 3 48 ? 204.63 194.728 238.544 1 90.57 ? 48 E 1
+3672 C CA . THR C 3 48 ? 205.99 194.575 239.131 1 90.57 ? 48 E 1
+3673 C C . THR C 3 48 ? 206.477 195.929 239.657 1 90.57 ? 48 E 1
+3674 O O . THR C 3 48 ? 207.091 195.948 240.741 1 90.57 ? 48 E 1
+3675 C CB . THR C 3 48 ? 206.97 193.993 238.106 1 90.57 ? 48 E 1
+3676 O OG1 . THR C 3 48 ? 207.08 194.918 237.024 1 90.57 ? 48 E 1
+3677 C CG2 . THR C 3 48 ? 206.54 192.64 237.582 1 90.57 ? 48 E 1
+3678 N N . ARG C 3 49 ? 206.208 197.011 238.924 1 92.79 ? 49 E 1
+3679 C CA . ARG C 3 49 ? 206.648 198.351 239.305 1 92.79 ? 49 E 1
+3680 C C . ARG C 3 49 ? 205.777 198.989 240.378 1 92.79 ? 49 E 1
+3681 O O . ARG C 3 49 ? 206.174 200.027 240.925 1 92.79 ? 49 E 1
+3682 C CB . ARG C 3 49 ? 206.686 199.247 238.065 1 92.79 ? 49 E 1
+3683 C CG . ARG C 3 49 ? 207.761 198.866 237.061 1 92.79 ? 49 E 1
+3684 C CD . ARG C 3 49 ? 207.518 199.525 235.712 1 92.79 ? 49 E 1
+3685 N NE . ARG C 3 49 ? 207.532 200.98 235.795 1 92.79 ? 49 E 1
+3686 C CZ . ARG C 3 49 ? 207.221 201.789 234.792 1 92.79 ? 49 E 1
+3687 N NH1 . ARG C 3 49 ? 206.866 201.317 233.608 1 92.79 ? 49 E 1
+3688 N NH2 . ARG C 3 49 ? 207.267 203.105 234.98 1 92.79 ? 49 E 1
+3689 N N . LEU C 3 50 ? 204.614 198.42 240.703 1 91.13 ? 50 E 1
+3690 C CA . LEU C 3 50 ? 203.751 199.003 241.722 1 91.13 ? 50 E 1
+3691 C C . LEU C 3 50 ? 203.543 198.08 242.916 1 91.13 ? 50 E 1
+3692 O O . LEU C 3 50 ? 202.568 198.265 243.656 1 91.13 ? 50 E 1
+3693 C CB . LEU C 3 50 ? 202.392 199.383 241.122 1 91.13 ? 50 E 1
+3694 N N . LYS C 3 51 ? 204.415 197.095 243.124 1 91.03 ? 51 E 1
+3695 C CA . LYS C 3 51 ? 204.276 196.197 244.262 1 91.03 ? 51 E 1
+3696 C C . LYS C 3 51 ? 204.437 196.962 245.569 1 91.03 ? 51 E 1
+3697 O O . LYS C 3 51 ? 205.318 197.815 245.706 1 91.03 ? 51 E 1
+3698 C CB . LYS C 3 51 ? 205.299 195.063 244.183 1 91.03 ? 51 E 1
+3699 C CG . LYS C 3 51 ? 205.177 194.036 245.297 1 91.03 ? 51 E 1
+3700 C CD . LYS C 3 51 ? 206.189 192.915 245.13 1 91.03 ? 51 E 1
+3701 C CE . LYS C 3 51 ? 206.083 191.902 246.258 1 91.03 ? 51 E 1
+3702 N NZ . LYS C 3 51 ? 207.07 190.797 246.106 1 91.03 ? 51 E 1
+3703 N N . GLY C 3 52 ? 203.574 196.65 246.532 1 95.82 ? 52 E 1
+3704 C CA . GLY C 3 52 ? 203.616 197.304 247.824 1 95.82 ? 52 E 1
+3705 C C . GLY C 3 52 ? 202.764 198.554 247.895 1 95.82 ? 52 E 1
+3706 O O . GLY C 3 52 ? 202.085 198.792 248.899 1 95.82 ? 52 E 1
+3707 N N . ILE C 3 53 ? 202.787 199.361 246.836 1 95.63 ? 53 E 1
+3708 C CA . ILE C 3 53 ? 202.017 200.599 246.802 1 95.63 ? 53 E 1
+3709 C C . ILE C 3 53 ? 200.551 200.272 246.552 1 95.63 ? 53 E 1
+3710 O O . ILE C 3 53 ? 199.688 200.561 247.389 1 95.63 ? 53 E 1
+3711 C CB . ILE C 3 53 ? 202.557 201.564 245.732 1 95.63 ? 53 E 1
+3712 N N . VAL C 3 54 ? 200.262 199.665 245.406 1 94.81 ? 54 E 1
+3713 C CA . VAL C 3 54 ? 198.9 199.27 245.056 1 94.81 ? 54 E 1
+3714 C C . VAL C 3 54 ? 198.921 197.86 244.474 1 94.81 ? 54 E 1
+3715 O O . VAL C 3 54 ? 199.653 197.599 243.508 1 94.81 ? 54 E 1
+3716 C CB . VAL C 3 54 ? 198.258 200.275 244.083 1 94.81 ? 54 E 1
+3717 C CG1 . VAL C 3 54 ? 197.924 201.569 244.804 1 94.81 ? 54 E 1
+3718 C CG2 . VAL C 3 54 ? 199.185 200.564 242.913 1 94.81 ? 54 E 1
+3719 N N . PRO C 3 55 ? 198.178 196.914 245.046 1 92.71 ? 55 E 1
+3720 C CA . PRO C 3 55 ? 198.102 195.574 244.447 1 92.71 ? 55 E 1
+3721 C C . PRO C 3 55 ? 197.339 195.601 243.129 1 92.71 ? 55 E 1
+3722 O O . PRO C 3 55 ? 196.405 196.386 242.953 1 92.71 ? 55 E 1
+3723 C CB . PRO C 3 55 ? 197.362 194.752 245.511 1 92.71 ? 55 E 1
+3724 C CG . PRO C 3 55 ? 197.567 195.514 246.786 1 92.71 ? 55 E 1
+3725 C CD . PRO C 3 55 ? 197.552 196.954 246.377 1 92.71 ? 55 E 1
+3726 N N . LEU C 3 56 ? 197.742 194.732 242.205 1 93.41 ? 56 E 1
+3727 C CA . LEU C 3 56 ? 197.082 194.588 240.914 1 93.41 ? 56 E 1
+3728 C C . LEU C 3 56 ? 196.506 193.184 240.777 1 93.41 ? 56 E 1
+3729 O O . LEU C 3 56 ? 197.039 192.226 241.343 1 93.41 ? 56 E 1
+3730 C CB . LEU C 3 56 ? 198.052 194.865 239.761 1 93.41 ? 56 E 1
+3731 C CG . LEU C 3 56 ? 198.372 196.326 239.441 1 93.41 ? 56 E 1
+3732 C CD1 . LEU C 3 56 ? 199.345 196.922 240.445 1 93.41 ? 56 E 1
+3733 C CD2 . LEU C 3 56 ? 198.913 196.453 238.029 1 93.41 ? 56 E 1
+3734 N N . ALA C 3 57 ? 195.413 193.069 240.024 1 88.16 ? 57 E 1
+3735 C CA . ALA C 3 57 ? 194.733 191.795 239.844 1 88.16 ? 57 E 1
+3736 C C . ALA C 3 57 ? 194.115 191.722 238.455 1 88.16 ? 57 E 1
+3737 O O . ALA C 3 57 ? 193.81 192.746 237.838 1 88.16 ? 57 E 1
+3738 C CB . ALA C 3 57 ? 193.646 191.582 240.903 1 88.16 ? 57 E 1
+3739 N N . LYS C 3 58 ? 193.929 190.491 237.976 1 80.34 ? 58 E 1
+3740 C CA . LYS C 3 58 ? 193.263 190.208 236.712 1 80.34 ? 58 E 1
+3741 C C . LYS C 3 58 ? 191.973 189.446 236.985 1 80.34 ? 58 E 1
+3742 O O . LYS C 3 58 ? 191.907 188.634 237.912 1 80.34 ? 58 E 1
+3743 C CB . LYS C 3 58 ? 194.156 189.375 235.783 1 80.34 ? 58 E 1
+3744 C CG . LYS C 3 58 ? 195.307 190.141 235.169 1 80.34 ? 58 E 1
+3745 C CD . LYS C 3 58 ? 196.205 189.237 234.347 1 80.34 ? 58 E 1
+3746 C CE . LYS C 3 58 ? 195.48 188.637 233.159 1 80.34 ? 58 E 1
+3747 N NZ . LYS C 3 58 ? 196.428 187.831 232.342 1 80.34 ? 58 E 1
+3748 N N . VAL C 3 59 ? 190.946 189.713 236.182 1 69.95 ? 59 E 1
+3749 C CA . VAL C 3 59 ? 189.675 189.008 236.272 1 69.95 ? 59 E 1
+3750 C C . VAL C 3 59 ? 189.248 188.59 234.874 1 69.95 ? 59 E 1
+3751 O O . VAL C 3 59 ? 189.055 189.44 233.998 1 69.95 ? 59 E 1
+3752 C CB . VAL C 3 59 ? 188.583 189.868 236.934 1 69.95 ? 59 E 1
+3753 C CG1 . VAL C 3 59 ? 187.257 189.139 236.905 1 69.95 ? 59 E 1
+3754 C CG2 . VAL C 3 59 ? 188.968 190.198 238.356 1 69.95 ? 59 E 1
+3755 N N . ASP C 3 60 ? 189.124 187.268 234.676 1 74.06 ? 60 E 1
+3756 C CA . ASP C 3 60 ? 188.618 186.731 233.384 1 74.06 ? 60 E 1
+3757 C C . ASP C 3 60 ? 187.094 186.73 233.476 1 74.06 ? 60 E 1
+3758 O O . ASP C 3 60 ? 186.535 185.739 233.987 1 74.06 ? 60 E 1
+3759 C CB . ASP C 3 60 ? 189.191 185.347 233.072 1 74.06 ? 60 E 1
+3760 C CG . ASP C 3 60 ? 188.81 184.847 231.689 1 74.06 ? 60 E 1
+3761 O OD1 . ASP C 3 60 ? 188.168 185.614 230.945 1 74.06 ? 60 E 1
+3762 O OD2 . ASP C 3 60 ? 189.158 183.694 231.368 1 74.06 ? 60 E 1
+3763 N N . CYS C 3 61 ? 186.455 187.792 232.997 1 73.28 ? 61 E 1
+3764 C CA . CYS C 3 61 ? 185.01 187.967 233.116 1 73.28 ? 61 E 1
+3765 C C . CYS C 3 61 ? 184.216 186.901 232.374 1 73.28 ? 61 E 1
+3766 O O . CYS C 3 61 ? 183.052 186.666 232.717 1 73.28 ? 61 E 1
+3767 C CB . CYS C 3 61 ? 184.607 189.35 232.605 1 73.28 ? 61 E 1
+3768 S SG . CYS C 3 61 ? 182.869 189.757 232.867 1 73.28 ? 61 E 1
+3769 N N . THR C 3 62 ? 184.811 186.251 231.371 1 68.78 ? 62 E 1
+3770 C CA . THR C 3 62 ? 184.077 185.255 230.597 1 68.78 ? 62 E 1
+3771 C C . THR C 3 62 ? 183.614 184.097 231.473 1 68.78 ? 62 E 1
+3772 O O . THR C 3 62 ? 182.622 183.429 231.161 1 68.78 ? 62 E 1
+3773 C CB . THR C 3 62 ? 184.945 184.741 229.448 1 68.78 ? 62 E 1
+3774 O OG1 . THR C 3 62 ? 186.134 184.143 229.977 1 68.78 ? 62 E 1
+3775 C CG2 . THR C 3 62 ? 185.327 185.884 228.522 1 68.78 ? 62 E 1
+3776 N N . ALA C 3 63 ? 184.32 183.845 232.575 1 75.11 ? 63 E 1
+3777 C CA . ALA C 3 63 ? 183.904 182.798 233.509 1 75.11 ? 63 E 1
+3778 C C . ALA C 3 63 ? 182.851 183.32 234.483 1 75.11 ? 63 E 1
+3779 O O . ALA C 3 63 ? 181.734 182.797 234.549 1 75.11 ? 63 E 1
+3780 C CB . ALA C 3 63 ? 185.123 182.249 234.258 1 75.11 ? 63 E 1
+3781 N N . ASN C 3 64 ? 183.194 184.357 235.247 1 84.18 ? 64 E 1
+3782 C CA . ASN C 3 64 ? 182.308 184.888 236.284 1 84.18 ? 64 E 1
+3783 C C . ASN C 3 64 ? 181.546 186.102 235.749 1 84.18 ? 64 E 1
+3784 O O . ASN C 3 64 ? 182.051 187.222 235.662 1 84.18 ? 64 E 1
+3785 C CB . ASN C 3 64 ? 183.106 185.223 237.538 1 84.18 ? 64 E 1
+3786 C CG . ASN C 3 64 ? 184.316 186.087 237.245 1 84.18 ? 64 E 1
+3787 O OD1 . ASN C 3 64 ? 184.697 186.27 236.09 1 84.18 ? 64 E 1
+3788 N ND2 . ASN C 3 64 ? 184.93 186.62 238.294 1 84.18 ? 64 E 1
+3789 N N . THR C 3 65 ? 180.288 185.848 235.381 1 82.54 ? 65 E 1
+3790 C CA . THR C 3 65 ? 179.435 186.913 234.863 1 82.54 ? 65 E 1
+3791 C C . THR C 3 65 ? 178.942 187.827 235.977 1 82.54 ? 65 E 1
+3792 O O . THR C 3 65 ? 178.615 188.996 235.735 1 82.54 ? 65 E 1
+3793 C CB . THR C 3 65 ? 178.25 186.312 234.108 1 82.54 ? 65 E 1
+3794 O OG1 . THR C 3 65 ? 177.415 185.593 235.025 1 82.54 ? 65 E 1
+3795 C CG2 . THR C 3 65 ? 178.737 185.36 233.027 1 82.54 ? 65 E 1
+3796 N N . ASN C 3 66 ? 178.871 187.307 237.205 1 87.06 ? 66 E 1
+3797 C CA . ASN C 3 66 ? 178.295 188.065 238.311 1 87.06 ? 66 E 1
+3798 C C . ASN C 3 66 ? 179.107 189.318 238.618 1 87.06 ? 66 E 1
+3799 O O . ASN C 3 66 ? 178.545 190.382 238.903 1 87.06 ? 66 E 1
+3800 C CB . ASN C 3 66 ? 178.19 187.175 239.551 1 87.06 ? 66 E 1
+3801 N N . THR C 3 67 ? 180.436 189.206 238.576 1 85.69 ? 67 E 1
+3802 C CA . THR C 3 67 ? 181.293 190.338 238.915 1 85.69 ? 67 E 1
+3803 C C . THR C 3 67 ? 181.058 191.509 237.969 1 85.69 ? 67 E 1
+3804 O O . THR C 3 67 ? 180.846 192.647 238.405 1 85.69 ? 67 E 1
+3805 C CB . THR C 3 67 ? 182.761 189.91 238.888 1 85.69 ? 67 E 1
+3806 O OG1 . THR C 3 67 ? 183.086 189.394 237.592 1 85.69 ? 67 E 1
+3807 C CG2 . THR C 3 67 ? 183.016 188.839 239.933 1 85.69 ? 67 E 1
+3808 N N . CYS C 3 68 ? 181.089 191.247 236.662 1 85.23 ? 68 E 1
+3809 C CA . CYS C 3 68 ? 180.826 192.296 235.685 1 85.23 ? 68 E 1
+3810 C C . CYS C 3 68 ? 179.384 192.778 235.715 1 85.23 ? 68 E 1
+3811 O O . CYS C 3 68 ? 179.144 193.967 235.477 1 85.23 ? 68 E 1
+3812 C CB . CYS C 3 68 ? 181.178 191.809 234.281 1 85.23 ? 68 E 1
+3813 S SG . CYS C 3 68 ? 182.915 191.387 234.072 1 85.23 ? 68 E 1
+3814 N N . ASN C 3 69 ? 178.423 191.892 235.989 1 87.18 ? 69 E 1
+3815 C CA . ASN C 3 69 ? 177.035 192.325 236.096 1 87.18 ? 69 E 1
+3816 C C . ASN C 3 69 ? 176.854 193.307 237.246 1 87.18 ? 69 E 1
+3817 O O . ASN C 3 69 ? 176.139 194.307 237.11 1 87.18 ? 69 E 1
+3818 C CB . ASN C 3 69 ? 176.104 191.124 236.267 1 87.18 ? 69 E 1
+3819 C CG . ASN C 3 69 ? 175.969 190.304 234.999 1 87.18 ? 69 E 1
+3820 O OD1 . ASN C 3 69 ? 176.199 190.802 233.897 1 87.18 ? 69 E 1
+3821 N ND2 . ASN C 3 69 ? 175.596 189.039 235.149 1 87.18 ? 69 E 1
+3822 N N . LYS C 3 70 ? 177.494 193.04 238.386 1 86.12 ? 70 E 1
+3823 C CA . LYS C 3 70 ? 177.407 193.954 239.519 1 86.12 ? 70 E 1
+3824 C C . LYS C 3 70 ? 178.206 195.229 239.276 1 86.12 ? 70 E 1
+3825 O O . LYS C 3 70 ? 177.724 196.331 239.563 1 86.12 ? 70 E 1
+3826 C CB . LYS C 3 70 ? 177.891 193.258 240.792 1 86.12 ? 70 E 1
+3827 N N . TYR C 3 71 ? 179.424 195.102 238.748 1 82.43 ? 71 E 1
+3828 C CA . TYR C 3 71 ? 180.278 196.264 238.535 1 82.43 ? 71 E 1
+3829 C C . TYR C 3 71 ? 179.87 197.088 237.322 1 82.43 ? 71 E 1
+3830 O O . TYR C 3 71 ? 180.383 198.199 237.152 1 82.43 ? 71 E 1
+3831 C CB . TYR C 3 71 ? 181.736 195.822 238.39 1 82.43 ? 71 E 1
+3832 N N . GLY C 3 72 ? 178.968 196.583 236.484 1 77.17 ? 72 E 1
+3833 C CA . GLY C 3 72 ? 178.593 197.301 235.28 1 77.17 ? 72 E 1
+3834 C C . GLY C 3 72 ? 179.71 197.434 234.271 1 77.17 ? 72 E 1
+3835 O O . GLY C 3 72 ? 179.878 198.502 233.676 1 77.17 ? 72 E 1
+3836 N N . VAL C 3 73 ? 180.483 196.37 234.062 1 67.26 ? 73 E 1
+3837 C CA . VAL C 3 73 ? 181.652 196.412 233.184 1 67.26 ? 73 E 1
+3838 C C . VAL C 3 73 ? 181.207 195.858 231.834 1 67.26 ? 73 E 1
+3839 O O . VAL C 3 73 ? 181.155 194.648 231.619 1 67.26 ? 73 E 1
+3840 C CB . VAL C 3 73 ? 182.827 195.638 233.767 1 67.26 ? 73 E 1
+3841 N N . SER C 3 74 ? 180.89 196.76 230.911 1 58.96 ? 74 E 1
+3842 C CA . SER C 3 74 ? 180.42 196.383 229.586 1 58.96 ? 74 E 1
+3843 C C . SER C 3 74 ? 181.528 196.348 228.543 1 58.96 ? 74 E 1
+3844 O O . SER C 3 74 ? 181.239 196.116 227.365 1 58.96 ? 74 E 1
+3845 C CB . SER C 3 74 ? 179.315 197.34 229.127 1 58.96 ? 74 E 1
+3846 O OG . SER C 3 74 ? 178.734 196.901 227.912 1 58.96 ? 74 E 1
+3847 N N . GLY C 3 75 ? 182.778 196.577 228.934 1 57.99 ? 75 E 1
+3848 C CA . GLY C 3 75 ? 183.865 196.576 227.975 1 57.99 ? 75 E 1
+3849 C C . GLY C 3 75 ? 185.039 195.707 228.375 1 57.99 ? 75 E 1
+3850 O O . GLY C 3 75 ? 185.121 195.247 229.517 1 57.99 ? 75 E 1
+3851 N N . TYR C 3 76 ? 185.952 195.469 227.434 1 61.74 ? 76 E 1
+3852 C CA . TYR C 3 76 ? 187.182 194.732 227.695 1 61.74 ? 76 E 1
+3853 C C . TYR C 3 76 ? 188.347 195.39 226.969 1 61.74 ? 76 E 1
+3854 O O . TYR C 3 76 ? 188.337 195.472 225.735 1 61.74 ? 76 E 1
+3855 C CB . TYR C 3 76 ? 187.06 193.272 227.25 1 61.74 ? 76 E 1
+3856 C CG . TYR C 3 76 ? 185.914 192.509 227.87 1 61.74 ? 76 E 1
+3857 C CD1 . TYR C 3 76 ? 184.82 192.122 227.11 1 61.74 ? 76 E 1
+3858 C CD2 . TYR C 3 76 ? 185.936 192.158 229.212 1 61.74 ? 76 E 1
+3859 C CE1 . TYR C 3 76 ? 183.774 191.417 227.672 1 61.74 ? 76 E 1
+3860 C CE2 . TYR C 3 76 ? 184.897 191.455 229.782 1 61.74 ? 76 E 1
+3861 C CZ . TYR C 3 76 ? 183.819 191.088 229.008 1 61.74 ? 76 E 1
+3862 O OH . TYR C 3 76 ? 182.782 190.385 229.576 1 61.74 ? 76 E 1
+3863 N N . PRO C 3 77 ? 189.372 195.87 227.689 1 61.42 ? 77 E 1
+3864 C CA . PRO C 3 77 ? 189.448 195.939 229.149 1 61.42 ? 77 E 1
+3865 C C . PRO C 3 77 ? 188.797 197.2 229.704 1 61.42 ? 77 E 1
+3866 O O . PRO C 3 77 ? 188.65 198.183 228.981 1 61.42 ? 77 E 1
+3867 C CB . PRO C 3 77 ? 190.949 195.941 229.408 1 61.42 ? 77 E 1
+3868 C CG . PRO C 3 77 ? 191.496 196.68 228.243 1 61.42 ? 77 E 1
+3869 C CD . PRO C 3 77 ? 190.617 196.346 227.062 1 61.42 ? 77 E 1
+3870 N N . THR C 3 78 ? 188.414 197.165 230.981 1 63.36 ? 78 E 1
+3871 C CA . THR C 3 78 ? 187.692 198.251 231.636 1 63.36 ? 78 E 1
+3872 C C . THR C 3 78 ? 188.298 198.499 233.022 1 63.36 ? 78 E 1
+3873 O O . THR C 3 78 ? 187.597 198.542 234.033 1 63.36 ? 78 E 1
+3874 C CB . THR C 3 78 ? 186.192 197.956 231.705 1 63.36 ? 78 E 1
+3875 O OG1 . THR C 3 78 ? 185.515 199.031 232.37 1 63.36 ? 78 E 1
+3876 C CG2 . THR C 3 78 ? 185.924 196.635 232.406 1 63.36 ? 78 E 1
+3877 N N . LEU C 3 79 ? 189.625 198.654 233.048 1 69.37 ? 79 E 1
+3878 C CA . LEU C 3 79 ? 190.385 198.821 234.286 1 69.37 ? 79 E 1
+3879 C C . LEU C 3 79 ? 189.656 199.711 235.286 1 69.37 ? 79 E 1
+3880 O O . LEU C 3 79 ? 189.359 200.874 235.002 1 69.37 ? 79 E 1
+3881 C CB . LEU C 3 79 ? 191.756 199.424 233.972 1 69.37 ? 79 E 1
+3882 C CG . LEU C 3 79 ? 192.863 198.511 233.445 1 69.37 ? 79 E 1
+3883 C CD1 . LEU C 3 79 ? 192.634 198.132 231.989 1 69.37 ? 79 E 1
+3884 C CD2 . LEU C 3 79 ? 194.228 199.149 233.631 1 69.37 ? 79 E 1
+3885 N N . LYS C 3 80 ? 189.37 199.153 236.46 1 78.4 ? 80 E 1
+3886 C CA . LYS C 3 80 ? 188.62 199.845 237.496 1 78.4 ? 80 E 1
+3887 C C . LYS C 3 80 ? 189.321 199.685 238.837 1 78.4 ? 80 E 1
+3888 O O . LYS C 3 80 ? 189.718 198.582 239.22 1 78.4 ? 80 E 1
+3889 C CB . LYS C 3 80 ? 187.184 199.313 237.59 1 78.4 ? 80 E 1
+3890 C CG . LYS C 3 80 ? 186.269 200.136 238.477 1 78.4 ? 80 E 1
+3891 C CD . LYS C 3 80 ? 184.86 199.567 238.484 1 78.4 ? 80 E 1
+3892 C CE . LYS C 3 80 ? 184.199 199.719 237.124 1 78.4 ? 80 E 1
+3893 N NZ . LYS C 3 80 ? 183.975 201.148 236.774 1 78.4 ? 80 E 1
+3894 N N . ILE C 3 81 ? 189.46 200.797 239.553 1 86.32 ? 81 E 1
+3895 C CA . ILE C 3 81 ? 190.134 200.831 240.846 1 86.32 ? 81 E 1
+3896 C C . ILE C 3 81 ? 189.102 200.624 241.944 1 86.32 ? 81 E 1
+3897 O O . ILE C 3 81 ? 187.954 201.068 241.826 1 86.32 ? 81 E 1
+3898 C CB . ILE C 3 81 ? 190.9 202.151 241.054 1 86.32 ? 81 E 1
+3899 C CG1 . ILE C 3 81 ? 189.971 203.347 240.849 1 86.32 ? 81 E 1
+3900 C CG2 . ILE C 3 81 ? 192.088 202.232 240.114 1 86.32 ? 81 E 1
+3901 C CD1 . ILE C 3 81 ? 190.585 204.668 241.242 1 86.32 ? 81 E 1
+3902 N N . PHE C 3 82 ? 189.515 199.943 243.016 1 94.36 ? 82 E 1
+3903 C CA . PHE C 3 82 ? 188.643 199.627 244.145 1 94.36 ? 82 E 1
+3904 C C . PHE C 3 82 ? 189.318 200.108 245.432 1 94.36 ? 82 E 1
+3905 O O . PHE C 3 82 ? 190.138 199.408 246.027 1 94.36 ? 82 E 1
+3906 C CB . PHE C 3 82 ? 188.33 198.132 244.195 1 94.36 ? 82 E 1
+3907 C CG . PHE C 3 82 ? 187.47 197.657 243.061 1 94.36 ? 82 E 1
+3908 C CD1 . PHE C 3 82 ? 186.09 197.681 243.164 1 94.36 ? 82 E 1
+3909 C CD2 . PHE C 3 82 ? 188.041 197.193 241.889 1 94.36 ? 82 E 1
+3910 C CE1 . PHE C 3 82 ? 185.295 197.246 242.121 1 94.36 ? 82 E 1
+3911 C CE2 . PHE C 3 82 ? 187.253 196.758 240.843 1 94.36 ? 82 E 1
+3912 C CZ . PHE C 3 82 ? 185.878 196.784 240.959 1 94.36 ? 82 E 1
+3913 N N . ARG C 3 83 ? 188.961 201.315 245.863 1 98.86 ? 83 E 1
+3914 C CA . ARG C 3 83 ? 189.554 201.888 247.064 1 98.86 ? 83 E 1
+3915 C C . ARG C 3 83 ? 189.043 201.17 248.305 1 98.86 ? 83 E 1
+3916 O O . ARG C 3 83 ? 187.909 201.396 248.74 1 98.86 ? 83 E 1
+3917 C CB . ARG C 3 83 ? 189.236 203.38 247.142 1 98.86 ? 83 E 1
+3918 N N . ASP C 3 84 ? 189.889 200.311 248.877 1 99.21 ? 84 E 1
+3919 C CA . ASP C 3 84 ? 189.567 199.562 250.092 1 99.21 ? 84 E 1
+3920 C C . ASP C 3 84 ? 188.273 198.767 249.927 1 99.21 ? 84 E 1
+3921 O O . ASP C 3 84 ? 187.384 198.787 250.781 1 99.21 ? 84 E 1
+3922 C CB . ASP C 3 84 ? 189.49 200.493 251.304 1 99.21 ? 84 E 1
+3923 N N . GLY C 3 85 ? 188.176 198.055 248.809 1 97.96 ? 85 E 1
+3924 C CA . GLY C 3 85 ? 186.982 197.277 248.521 1 97.96 ? 85 E 1
+3925 C C . GLY C 3 85 ? 185.749 198.118 248.273 1 97.96 ? 85 E 1
+3926 O O . GLY C 3 85 ? 184.639 197.714 248.642 1 97.96 ? 85 E 1
+3927 N N . GLU C 3 86 ? 185.919 199.284 247.655 1 96.62 ? 86 E 1
+3928 C CA . GLU C 3 86 ? 184.81 200.159 247.297 1 96.62 ? 86 E 1
+3929 C C . GLU C 3 86 ? 185.008 200.618 245.862 1 96.62 ? 86 E 1
+3930 O O . GLU C 3 86 ? 186.1 201.069 245.5 1 96.62 ? 86 E 1
+3931 C CB . GLU C 3 86 ? 184.72 201.36 248.243 1 96.62 ? 86 E 1
+3932 N N . GLU C 3 87 ? 183.961 200.499 245.05 1 98.32 ? 87 E 1
+3933 C CA . GLU C 3 87 ? 184.041 200.885 243.647 1 98.32 ? 87 E 1
+3934 C C . GLU C 3 87 ? 184.361 202.367 243.514 1 98.32 ? 87 E 1
+3935 O O . GLU C 3 87 ? 183.753 203.208 244.181 1 98.32 ? 87 E 1
+3936 C CB . GLU C 3 87 ? 182.724 200.559 242.941 1 98.32 ? 87 E 1
+3937 C CG . GLU C 3 87 ? 182.73 200.858 241.452 1 98.32 ? 87 E 1
+3938 C CD . GLU C 3 87 ? 181.426 200.478 240.78 1 98.32 ? 87 E 1
+3939 O OE1 . GLU C 3 87 ? 180.505 200.015 241.485 1 98.32 ? 87 E 1
+3940 O OE2 . GLU C 3 87 ? 181.325 200.639 239.546 1 98.32 ? 87 E 1
+3941 N N . ALA C 3 88 ? 185.318 202.68 242.65 1 93.24 ? 88 E 1
+3942 C CA . ALA C 3 88 ? 185.751 204.048 242.409 1 93.24 ? 88 E 1
+3943 C C . ALA C 3 88 ? 185.678 204.347 240.912 1 93.24 ? 88 E 1
+3944 O O . ALA C 3 88 ? 185.261 203.508 240.108 1 93.24 ? 88 E 1
+3945 C CB . ALA C 3 88 ? 187.159 204.269 242.967 1 93.24 ? 88 E 1
+3946 N N . GLY C 3 89 ? 186.083 205.56 240.545 1 84.28 ? 89 E 1
+3947 C CA . GLY C 3 89 ? 186.079 205.978 239.158 1 84.28 ? 89 E 1
+3948 C C . GLY C 3 89 ? 186.958 205.12 238.273 1 84.28 ? 89 E 1
+3949 O O . GLY C 3 89 ? 188.07 204.753 238.663 1 84.28 ? 89 E 1
+3950 N N . ALA C 3 90 ? 186.465 204.789 237.083 1 75.9 ? 90 E 1
+3951 C CA . ALA C 3 90 ? 187.23 203.963 236.158 1 75.9 ? 90 E 1
+3952 C C . ALA C 3 90 ? 188.502 204.681 235.73 1 75.9 ? 90 E 1
+3953 O O . ALA C 3 90 ? 188.518 205.905 235.574 1 75.9 ? 90 E 1
+3954 C CB . ALA C 3 90 ? 186.381 203.616 234.936 1 75.9 ? 90 E 1
+3955 N N . TYR C 3 91 ? 189.575 203.912 235.55 1 76.02 ? 91 E 1
+3956 C CA . TYR C 3 91 ? 190.849 204.476 235.124 1 76.02 ? 91 E 1
+3957 C C . TYR C 3 91 ? 190.711 205.106 233.745 1 76.02 ? 91 E 1
+3958 O O . TYR C 3 91 ? 190.576 204.399 232.741 1 76.02 ? 91 E 1
+3959 C CB . TYR C 3 91 ? 191.933 203.397 235.117 1 76.02 ? 91 E 1
+3960 C CG . TYR C 3 91 ? 193.228 203.827 234.47 1 76.02 ? 91 E 1
+3961 C CD1 . TYR C 3 91 ? 194.098 204.692 235.118 1 76.02 ? 91 E 1
+3962 C CD2 . TYR C 3 91 ? 193.581 203.367 233.209 1 76.02 ? 91 E 1
+3963 C CE1 . TYR C 3 91 ? 195.284 205.085 234.528 1 76.02 ? 91 E 1
+3964 C CE2 . TYR C 3 91 ? 194.764 203.756 232.611 1 76.02 ? 91 E 1
+3965 C CZ . TYR C 3 91 ? 195.613 204.615 233.275 1 76.02 ? 91 E 1
+3966 O OH . TYR C 3 91 ? 196.793 205.005 232.684 1 76.02 ? 91 E 1
+3967 N N . ASP C 3 92 ? 190.75 206.433 233.689 1 79.1 ? 92 E 1
+3968 C CA . ASP C 3 92 ? 190.59 207.189 232.45 1 79.1 ? 92 E 1
+3969 C C . ASP C 3 92 ? 191.97 207.688 232.031 1 79.1 ? 92 E 1
+3970 O O . ASP C 3 92 ? 192.372 208.804 232.363 1 79.1 ? 92 E 1
+3971 C CB . ASP C 3 92 ? 189.605 208.341 232.632 1 79.1 ? 92 E 1
+3972 N N . GLY C 3 93 ? 192.692 206.849 231.295 1 74.41 ? 93 E 1
+3973 C CA . GLY C 3 93 ? 194.016 207.187 230.835 1 74.41 ? 93 E 1
+3974 C C . GLY C 3 93 ? 194.578 206.123 229.918 1 74.41 ? 93 E 1
+3975 O O . GLY C 3 93 ? 193.95 205.088 229.673 1 74.41 ? 93 E 1
+3976 N N . PRO C 3 94 ? 195.769 206.366 229.379 1 76.51 ? 94 E 1
+3977 C CA . PRO C 3 94 ? 196.4 205.373 228.504 1 76.51 ? 94 E 1
+3978 C C . PRO C 3 94 ? 196.619 204.053 229.228 1 76.51 ? 94 E 1
+3979 O O . PRO C 3 94 ? 196.987 204.021 230.404 1 76.51 ? 94 E 1
+3980 C CB . PRO C 3 94 ? 197.728 206.035 228.122 1 76.51 ? 94 E 1
+3981 C CG . PRO C 3 94 ? 197.481 207.498 228.291 1 76.51 ? 94 E 1
+3982 C CD . PRO C 3 94 ? 196.553 207.61 229.463 1 76.51 ? 94 E 1
+3983 N N . ARG C 3 95 ? 196.392 202.954 228.51 1 78.64 ? 95 E 1
+3984 C CA . ARG C 3 95 ? 196.567 201.625 229.082 1 78.64 ? 95 E 1
+3985 C C . ARG C 3 95 ? 198.017 201.166 229.082 1 78.64 ? 95 E 1
+3986 O O . ARG C 3 95 ? 198.279 200.004 229.411 1 78.64 ? 95 E 1
+3987 C CB . ARG C 3 95 ? 195.699 200.614 228.331 1 78.64 ? 95 E 1
+3988 C CG . ARG C 3 95 ? 194.226 200.684 228.692 1 78.64 ? 95 E 1
+3989 C CD . ARG C 3 95 ? 193.341 200.429 227.481 1 78.64 ? 95 E 1
+3990 N NE . ARG C 3 95 ? 191.929 200.301 227.827 1 78.64 ? 95 E 1
+3991 C CZ . ARG C 3 95 ? 191.192 201.248 228.397 1 78.64 ? 95 E 1
+3992 N NH1 . ARG C 3 95 ? 191.686 202.445 228.667 1 78.64 ? 95 E 1
+3993 N NH2 . ARG C 3 95 ? 189.921 200.99 228.691 1 78.64 ? 95 E 1
+3994 N N . THR C 3 96 ? 198.956 202.037 228.722 1 85.73 ? 96 E 1
+3995 C CA . THR C 3 96 ? 200.364 201.682 228.773 1 85.73 ? 96 E 1
+3996 C C . THR C 3 96 ? 200.819 201.527 230.221 1 85.73 ? 96 E 1
+3997 O O . THR C 3 96 ? 200.193 202.032 231.157 1 85.73 ? 96 E 1
+3998 C CB . THR C 3 96 ? 201.21 202.742 228.07 1 85.73 ? 96 E 1
+3999 O OG1 . THR C 3 96 ? 201.173 203.961 228.823 1 85.73 ? 96 E 1
+4000 C CG2 . THR C 3 96 ? 200.676 203.004 226.671 1 85.73 ? 96 E 1
+4001 N N . ALA C 3 97 ? 201.929 200.807 230.398 1 86.31 ? 97 E 1
+4002 C CA . ALA C 3 97 ? 202.446 200.56 231.74 1 86.31 ? 97 E 1
+4003 C C . ALA C 3 97 ? 202.844 201.86 232.426 1 86.31 ? 97 E 1
+4004 O O . ALA C 3 97 ? 202.581 202.051 233.619 1 86.31 ? 97 E 1
+4005 C CB . ALA C 3 97 ? 203.633 199.599 231.674 1 86.31 ? 97 E 1
+4006 N N . ASP C 3 98 ? 203.482 202.77 231.686 1 89.44 ? 98 E 1
+4007 C CA . ASP C 3 98 ? 203.955 204.016 232.283 1 89.44 ? 98 E 1
+4008 C C . ASP C 3 98 ? 202.801 204.864 232.803 1 89.44 ? 98 E 1
+4009 O O . ASP C 3 98 ? 202.864 205.392 233.919 1 89.44 ? 98 E 1
+4010 C CB . ASP C 3 98 ? 204.779 204.803 231.263 1 89.44 ? 98 E 1
+4011 N N . GLY C 3 99 ? 201.737 205.003 232.01 1 88.34 ? 99 E 1
+4012 C CA . GLY C 3 99 ? 200.596 205.788 232.455 1 88.34 ? 99 E 1
+4013 C C . GLY C 3 99 ? 199.879 205.157 233.633 1 88.34 ? 99 E 1
+4014 O O . GLY C 3 99 ? 199.444 205.854 234.556 1 88.34 ? 99 E 1
+4015 N N . ILE C 3 100 ? 199.749 203.829 233.618 1 86.75 ? 100 E 1
+4016 C CA . ILE C 3 100 ? 199.132 203.125 234.738 1 86.75 ? 100 E 1
+4017 C C . ILE C 3 100 ? 199.939 203.349 236.01 1 86.75 ? 100 E 1
+4018 O O . ILE C 3 100 ? 199.383 203.629 237.076 1 86.75 ? 100 E 1
+4019 C CB . ILE C 3 100 ? 198.984 201.627 234.418 1 86.75 ? 100 E 1
+4020 C CG1 . ILE C 3 100 ? 197.879 201.408 233.384 1 86.75 ? 100 E 1
+4021 C CG2 . ILE C 3 100 ? 198.698 200.831 235.68 1 86.75 ? 100 E 1
+4022 C CD1 . ILE C 3 100 ? 197.763 199.976 232.916 1 86.75 ? 100 E 1
+4023 N N . VAL C 3 101 ? 201.267 203.24 235.911 1 89.52 ? 101 E 1
+4024 C CA . VAL C 3 101 ? 202.123 203.459 237.074 1 89.52 ? 101 E 1
+4025 C C . VAL C 3 101 ? 202.004 204.896 237.567 1 89.52 ? 101 E 1
+4026 O O . VAL C 3 101 ? 201.927 205.148 238.775 1 89.52 ? 101 E 1
+4027 C CB . VAL C 3 101 ? 203.582 203.091 236.742 1 89.52 ? 101 E 1
+4028 C CG1 . VAL C 3 101 ? 204.513 203.554 237.848 1 89.52 ? 101 E 1
+4029 C CG2 . VAL C 3 101 ? 203.713 201.591 236.544 1 89.52 ? 101 E 1
+4030 N N . SER C 3 102 ? 201.993 205.861 236.644 1 94.48 ? 102 E 1
+4031 C CA . SER C 3 102 ? 201.888 207.261 237.041 1 94.48 ? 102 E 1
+4032 C C . SER C 3 102 ? 200.582 207.525 237.781 1 94.48 ? 102 E 1
+4033 O O . SER C 3 102 ? 200.574 208.15 238.849 1 94.48 ? 102 E 1
+4034 C CB . SER C 3 102 ? 202.005 208.163 235.812 1 94.48 ? 102 E 1
+4035 O OG . SER C 3 102 ? 200.941 207.93 234.907 1 94.48 ? 102 E 1
+4036 N N . HIS C 3 103 ? 199.465 207.038 237.236 1 96.5 ? 103 E 1
+4037 C CA . HIS C 3 103 ? 198.176 207.268 237.882 1 96.5 ? 103 E 1
+4038 C C . HIS C 3 103 ? 198.08 206.512 239.202 1 96.5 ? 103 E 1
+4039 O O . HIS C 3 103 ? 197.464 206.993 240.16 1 96.5 ? 103 E 1
+4040 C CB . HIS C 3 103 ? 197.037 206.87 236.945 1 96.5 ? 103 E 1
+4041 C CG . HIS C 3 103 ? 195.691 207.343 237.399 1 96.5 ? 103 E 1
+4042 N ND1 . HIS C 3 103 ? 195.236 208.623 237.166 1 96.5 ? 103 E 1
+4043 C CD2 . HIS C 3 103 ? 194.704 206.71 238.076 1 96.5 ? 103 E 1
+4044 C CE1 . HIS C 3 103 ? 194.025 208.757 237.677 1 96.5 ? 103 E 1
+4045 N NE2 . HIS C 3 103 ? 193.679 207.611 238.235 1 96.5 ? 103 E 1
+4046 N N . LEU C 3 104 ? 198.689 205.326 239.276 1 99.43 ? 104 E 1
+4047 C CA . LEU C 3 104 ? 198.675 204.561 240.517 1 99.43 ? 104 E 1
+4048 C C . LEU C 3 104 ? 199.46 205.27 241.613 1 99.43 ? 104 E 1
+4049 O O . LEU C 3 104 ? 199.027 205.309 242.769 1 99.43 ? 104 E 1
+4050 C CB . LEU C 3 104 ? 199.236 203.16 240.274 1 99.43 ? 104 E 1
+4051 N N . LYS C 3 105 ? 200.623 205.83 241.273 1 96.5 ? 105 E 1
+4052 C CA . LYS C 3 105 ? 201.387 206.59 242.259 1 96.5 ? 105 E 1
+4053 C C . LYS C 3 105 ? 200.675 207.884 242.631 1 96.5 ? 105 E 1
+4054 O O . LYS C 3 105 ? 200.782 208.352 243.77 1 96.5 ? 105 E 1
+4055 C CB . LYS C 3 105 ? 202.798 206.871 241.743 1 96.5 ? 105 E 1
+4056 C CG . LYS C 3 105 ? 203.666 205.624 241.598 1 96.5 ? 105 E 1
+4057 C CD . LYS C 3 105 ? 205.05 205.935 241.062 1 96.5 ? 105 E 1
+4058 C CE . LYS C 3 105 ? 205.893 204.674 240.955 1 96.5 ? 105 E 1
+4059 N NZ . LYS C 3 105 ? 207.247 204.958 240.407 1 96.5 ? 105 E 1
+4060 N N . LYS C 3 106 ? 199.949 208.481 241.684 1 99.2 ? 106 E 1
+4061 C CA . LYS C 3 106 ? 199.111 209.625 242.027 1 99.2 ? 106 E 1
+4062 C C . LYS C 3 106 ? 198.024 209.237 243.021 1 99.2 ? 106 E 1
+4063 O O . LYS C 3 106 ? 197.735 209.996 243.953 1 99.2 ? 106 E 1
+4064 C CB . LYS C 3 106 ? 198.489 210.221 240.764 1 99.2 ? 106 E 1
+4065 N N . GLN C 3 107 ? 197.417 208.064 242.837 1 97.73 ? 107 E 1
+4066 C CA . GLN C 3 107 ? 196.383 207.592 243.751 1 97.73 ? 107 E 1
+4067 C C . GLN C 3 107 ? 196.963 207.185 245.101 1 97.73 ? 107 E 1
+4068 O O . GLN C 3 107 ? 196.274 207.269 246.124 1 97.73 ? 107 E 1
+4069 C CB . GLN C 3 107 ? 195.627 206.418 243.124 1 97.73 ? 107 E 1
+4070 C CG . GLN C 3 107 ? 194.453 206.815 242.233 1 97.73 ? 107 E 1
+4071 C CD . GLN C 3 107 ? 193.308 207.458 242.998 1 97.73 ? 107 E 1
+4072 O OE1 . GLN C 3 107 ? 193.279 207.449 244.228 1 97.73 ? 107 E 1
+4073 N NE2 . GLN C 3 107 ? 192.356 208.024 242.265 1 97.73 ? 107 E 1
+4074 N N . ALA C 3 108 ? 198.221 206.741 245.12 1 101.01 ? 108 E 1
+4075 C CA . ALA C 3 108 ? 198.818 206.224 246.348 1 101.01 ? 108 E 1
+4076 C C . ALA C 3 108 ? 198.93 207.31 247.41 1 101.01 ? 108 E 1
+4077 O O . ALA C 3 108 ? 198.675 207.066 248.595 1 101.01 ? 108 E 1
+4078 C CB . ALA C 3 108 ? 200.19 205.619 246.048 1 101.01 ? 108 E 1
+4079 N N . GLY C 3 109 ? 199.315 208.517 247.005 1 101.41 ? 109 E 1
+4080 C CA . GLY C 3 109 ? 199.415 209.627 247.919 1 101.41 ? 109 E 1
+4081 C C . GLY C 3 109 ? 198.057 210.035 248.45 1 101.41 ? 109 E 1
+4082 O O . GLY C 3 109 ? 197.017 209.725 247.862 1 101.41 ? 109 E 1
+4083 N N . PRO C 3 110 ? 198.039 210.73 249.588 1 108.07 ? 110 E 1
+4084 C CA . PRO C 3 110 ? 196.763 211.2 250.145 1 108.07 ? 110 E 1
+4085 C C . PRO C 3 110 ? 196.084 212.224 249.249 1 108.07 ? 110 E 1
+4086 O O . PRO C 3 110 ? 196.629 212.606 248.208 1 108.07 ? 110 E 1
+4087 C CB . PRO C 3 110 ? 197.171 211.815 251.491 1 108.07 ? 110 E 1
+4088 C CG . PRO C 3 110 ? 198.629 212.114 251.35 1 108.07 ? 110 E 1
+4089 C CD . PRO C 3 110 ? 199.177 211.039 250.468 1 108.07 ? 110 E 1
+4090 N N . ALA C 3 111 ? 194.891 212.675 249.645 1 106.33 ? 111 E 1
+4091 C CA . ALA C 3 111 ? 194.176 213.679 248.865 1 106.33 ? 111 E 1
+4092 C C . ALA C 3 111 ? 194.994 214.959 248.745 1 106.33 ? 111 E 1
+4093 O O . ALA C 3 111 ? 195.073 215.565 247.672 1 106.33 ? 111 E 1
+4094 C CB . ALA C 3 111 ? 192.814 213.964 249.503 1 106.33 ? 111 E 1
+4095 N N . SER C 3 112 ? 195.611 215.38 249.845 1 109.24 ? 112 E 1
+4096 C CA . SER C 3 112 ? 196.55 216.492 249.852 1 109.24 ? 112 E 1
+4097 C C . SER C 3 112 ? 197.858 216.015 250.464 1 109.24 ? 112 E 1
+4098 O O . SER C 3 112 ? 197.86 215.432 251.554 1 109.24 ? 112 E 1
+4099 C CB . SER C 3 112 ? 195.99 217.685 250.631 1 109.24 ? 112 E 1
+4100 N N . VAL C 3 113 ? 198.961 216.257 249.764 1 108.79 ? 113 E 1
+4101 C CA . VAL C 3 113 ? 200.269 215.767 250.193 1 108.79 ? 113 E 1
+4102 C C . VAL C 3 113 ? 200.764 216.604 251.366 1 108.79 ? 113 E 1
+4103 O O . VAL C 3 113 ? 200.912 217.828 251.237 1 108.79 ? 113 E 1
+4104 C CB . VAL C 3 113 ? 201.28 215.789 249.036 1 108.79 ? 113 E 1
+4105 C CG1 . VAL C 3 113 ? 202.623 215.246 249.497 1 108.79 ? 113 E 1
+4106 C CG2 . VAL C 3 113 ? 200.752 214.99 247.856 1 108.79 ? 113 E 1
+4107 N N . PRO C 3 114 ? 201.032 215.997 252.521 1 107.76 ? 114 E 1
+4108 C CA . PRO C 3 114 ? 201.565 216.77 253.649 1 107.76 ? 114 E 1
+4109 C C . PRO C 3 114 ? 203.046 217.066 253.483 1 107.76 ? 114 E 1
+4110 O O . PRO C 3 114 ? 203.884 216.171 253.632 1 107.76 ? 114 E 1
+4111 C CB . PRO C 3 114 ? 201.309 215.86 254.861 1 107.76 ? 114 E 1
+4112 C CG . PRO C 3 114 ? 200.492 214.693 254.344 1 107.76 ? 114 E 1
+4113 C CD . PRO C 3 114 ? 200.779 214.597 252.886 1 107.76 ? 114 E 1
+4114 N N . LEU C 3 115 ? 203.382 218.315 253.171 1 101.67 ? 115 E 1
+4115 C CA . LEU C 3 115 ? 204.783 218.694 253.06 1 101.67 ? 115 E 1
+4116 C C . LEU C 3 115 ? 205.385 218.871 254.448 1 101.67 ? 115 E 1
+4117 O O . LEU C 3 115 ? 204.869 219.634 255.27 1 101.67 ? 115 E 1
+4118 C CB . LEU C 3 115 ? 204.922 219.98 252.247 1 101.67 ? 115 E 1
+4119 N N . ARG C 3 116 ? 206.48 218.163 254.706 1 94.94 ? 116 E 1
+4120 C CA . ARG C 3 116 ? 207.146 218.192 256.002 1 94.94 ? 116 E 1
+4121 C C . ARG C 3 116 ? 208.396 219.055 256.019 1 94.94 ? 116 E 1
+4122 O O . ARG C 3 116 ? 208.752 219.593 257.07 1 94.94 ? 116 E 1
+4123 C CB . ARG C 3 116 ? 207.513 216.769 256.44 1 94.94 ? 116 E 1
+4124 N N . THR C 3 117 ? 209.072 219.201 254.885 1 96.94 ? 117 E 1
+4125 C CA . THR C 3 117 ? 210.288 219.994 254.785 1 96.94 ? 117 E 1
+4126 C C . THR C 3 117 ? 210.162 220.999 253.647 1 96.94 ? 117 E 1
+4127 O O . THR C 3 117 ? 209.401 220.81 252.695 1 96.94 ? 117 E 1
+4128 C CB . THR C 3 117 ? 211.519 219.102 254.569 1 96.94 ? 117 E 1
+4129 O OG1 . THR C 3 117 ? 211.379 218.377 253.341 1 96.94 ? 117 E 1
+4130 C CG2 . THR C 3 117 ? 211.68 218.118 255.719 1 96.94 ? 117 E 1
+4131 N N . GLU C 3 118 ? 210.923 222.089 253.767 1 95.23 ? 118 E 1
+4132 C CA . GLU C 3 118 ? 210.939 223.107 252.722 1 95.23 ? 118 E 1
+4133 C C . GLU C 3 118 ? 211.491 222.559 251.411 1 95.23 ? 118 E 1
+4134 O O . GLU C 3 118 ? 210.967 222.877 250.334 1 95.23 ? 118 E 1
+4135 C CB . GLU C 3 118 ? 211.752 224.313 253.189 1 95.23 ? 118 E 1
+4136 N N . GLU C 3 119 ? 212.546 221.742 251.48 1 95.28 ? 119 E 1
+4137 C CA . GLU C 3 119 ? 213.052 221.092 250.276 1 95.28 ? 119 E 1
+4138 C C . GLU C 3 119 ? 211.96 220.269 249.608 1 95.28 ? 119 E 1
+4139 O O . GLU C 3 119 ? 211.867 220.23 248.376 1 95.28 ? 119 E 1
+4140 C CB . GLU C 3 119 ? 214.257 220.216 250.616 1 95.28 ? 119 E 1
+4141 N N . GLU C 3 120 ? 211.114 219.616 250.408 1 96.01 ? 120 E 1
+4142 C CA . GLU C 3 120 ? 209.957 218.925 249.851 1 96.01 ? 120 E 1
+4143 C C . GLU C 3 120 ? 209.004 219.906 249.18 1 96.01 ? 120 E 1
+4144 O O . GLU C 3 120 ? 208.378 219.574 248.169 1 96.01 ? 120 E 1
+4145 C CB . GLU C 3 120 ? 209.236 218.134 250.943 1 96.01 ? 120 E 1
+4146 N N . PHE C 3 121 ? 208.877 221.116 249.729 1 96.42 ? 121 E 1
+4147 C CA . PHE C 3 121 ? 208.03 222.127 249.103 1 96.42 ? 121 E 1
+4148 C C . PHE C 3 121 ? 208.54 222.482 247.71 1 96.42 ? 121 E 1
+4149 O O . PHE C 3 121 ? 207.765 222.521 246.745 1 96.42 ? 121 E 1
+4150 C CB . PHE C 3 121 ? 207.955 223.371 249.99 1 96.42 ? 121 E 1
+4151 C CG . PHE C 3 121 ? 207.237 224.529 249.359 1 96.42 ? 121 E 1
+4152 C CD1 . PHE C 3 121 ? 205.856 224.61 249.4 1 96.42 ? 121 E 1
+4153 C CD2 . PHE C 3 121 ? 207.944 225.544 248.735 1 96.42 ? 121 E 1
+4154 C CE1 . PHE C 3 121 ? 205.192 225.675 248.824 1 96.42 ? 121 E 1
+4155 C CE2 . PHE C 3 121 ? 207.287 226.612 248.157 1 96.42 ? 121 E 1
+4156 C CZ . PHE C 3 121 ? 205.909 226.677 248.201 1 96.42 ? 121 E 1
+4157 N N . LYS C 3 122 ? 209.845 222.741 247.582 1 96.01 ? 122 E 1
+4158 C CA . LYS C 3 122 ? 210.392 223.026 246.256 1 96.01 ? 122 E 1
+4159 C C . LYS C 3 122 ? 210.27 221.822 245.328 1 96.01 ? 122 E 1
+4160 O O . LYS C 3 122 ? 209.976 221.975 244.136 1 96.01 ? 122 E 1
+4161 C CB . LYS C 3 122 ? 211.846 223.506 246.326 1 96.01 ? 122 E 1
+4162 C CG . LYS C 3 122 ? 212.042 224.871 246.989 1 96.01 ? 122 E 1
+4163 C CD . LYS C 3 122 ? 213.474 225.34 247.083 1 96.01 ? 122 E 1
+4164 C CE . LYS C 3 122 ? 213.539 226.705 247.731 1 96.01 ? 122 E 1
+4165 N NZ . LYS C 3 122 ? 214.942 227.167 247.851 1 96.01 ? 122 E 1
+4166 N N . LYS C 3 123 ? 210.492 220.615 245.851 1 93.06 ? 123 E 1
+4167 C CA . LYS C 3 123 ? 210.37 219.425 245.013 1 93.06 ? 123 E 1
+4168 C C . LYS C 3 123 ? 208.947 219.266 244.492 1 93.06 ? 123 E 1
+4169 O O . LYS C 3 123 ? 208.735 218.874 243.338 1 93.06 ? 123 E 1
+4170 C CB . LYS C 3 123 ? 210.807 218.181 245.787 1 93.06 ? 123 E 1
+4171 C CG . LYS C 3 123 ? 210.782 216.901 244.969 1 93.06 ? 123 E 1
+4172 C CD . LYS C 3 123 ? 211.273 215.714 245.782 1 93.06 ? 123 E 1
+4173 C CE . LYS C 3 123 ? 211.227 214.426 244.978 1 93.06 ? 123 E 1
+4174 N NZ . LYS C 3 123 ? 211.708 213.262 245.772 1 93.06 ? 123 E 1
+4175 N N . PHE C 3 124 ? 207.954 219.564 245.332 1 96.41 ? 124 E 1
+4176 C CA . PHE C 3 124 ? 206.564 219.446 244.908 1 96.41 ? 124 E 1
+4177 C C . PHE C 3 124 ? 206.205 220.521 243.889 1 96.41 ? 124 E 1
+4178 O O . PHE C 3 124 ? 205.535 220.245 242.888 1 96.41 ? 124 E 1
+4179 C CB . PHE C 3 124 ? 205.634 219.524 246.118 1 96.41 ? 124 E 1
+4180 C CG . PHE C 3 124 ? 204.19 219.3 245.781 1 96.41 ? 124 E 1
+4181 C CD1 . PHE C 3 124 ? 203.686 218.016 245.671 1 96.41 ? 124 E 1
+4182 C CD2 . PHE C 3 124 ? 203.342 220.369 245.555 1 96.41 ? 124 E 1
+4183 C CE1 . PHE C 3 124 ? 202.358 217.802 245.356 1 96.41 ? 124 E 1
+4184 C CE2 . PHE C 3 124 ? 202.016 220.162 245.236 1 96.41 ? 124 E 1
+4185 C CZ . PHE C 3 124 ? 201.523 218.876 245.136 1 96.41 ? 124 E 1
+4186 N N . ILE C 3 125 ? 206.639 221.762 244.129 1 100.14 ? 125 E 1
+4187 C CA . ILE C 3 125 ? 206.306 222.845 243.209 1 100.14 ? 125 E 1
+4188 C C . ILE C 3 125 ? 207.148 222.822 241.944 1 100.14 ? 125 E 1
+4189 O O . ILE C 3 125 ? 206.888 223.606 241.024 1 100.14 ? 125 E 1
+4190 C CB . ILE C 3 125 ? 206.446 224.227 243.88 1 100.14 ? 125 E 1
+4191 C CG1 . ILE C 3 125 ? 207.91 224.524 244.202 1 100.14 ? 125 E 1
+4192 C CG2 . ILE C 3 125 ? 205.581 224.305 245.131 1 100.14 ? 125 E 1
+4193 C CD1 . ILE C 3 125 ? 208.153 225.936 244.683 1 100.14 ? 125 E 1
+4194 N N . SER C 3 126 ? 208.15 221.949 241.873 1 101.62 ? 126 E 1
+4195 C CA . SER C 3 126 ? 208.97 221.818 240.675 1 101.62 ? 126 E 1
+4196 C C . SER C 3 126 ? 208.387 220.847 239.656 1 101.62 ? 126 E 1
+4197 O O . SER C 3 126 ? 209.007 220.632 238.609 1 101.62 ? 126 E 1
+4198 C CB . SER C 3 126 ? 210.385 221.374 241.055 1 101.62 ? 126 E 1
+4199 O OG . SER C 3 126 ? 210.434 219.977 241.286 1 101.62 ? 126 E 1
+4200 N N . ASP C 3 127 ? 207.226 220.259 239.932 1 104 ? 127 E 1
+4201 C CA . ASP C 3 127 ? 206.647 219.279 239.027 1 104 ? 127 E 1
+4202 C C . ASP C 3 127 ? 206.175 219.944 237.735 1 104 ? 127 E 1
+4203 O O . ASP C 3 127 ? 206.003 221.163 237.654 1 104 ? 127 E 1
+4204 C CB . ASP C 3 127 ? 205.484 218.549 239.698 1 104 ? 127 E 1
+4205 C CG . ASP C 3 127 ? 205.172 217.22 239.037 1 104 ? 127 E 1
+4206 O OD1 . ASP C 3 127 ? 206.066 216.667 238.364 1 104 ? 127 E 1
+4207 O OD2 . ASP C 3 127 ? 204.034 216.73 239.188 1 104 ? 127 E 1
+4208 N N . LYS C 3 128 ? 205.965 219.114 236.713 1 105.3 ? 128 E 1
+4209 C CA . LYS C 3 128 ? 205.633 219.593 235.376 1 105.3 ? 128 E 1
+4210 C C . LYS C 3 128 ? 204.203 220.109 235.282 1 105.3 ? 128 E 1
+4211 O O . LYS C 3 128 ? 203.835 220.744 234.288 1 105.3 ? 128 E 1
+4212 C CB . LYS C 3 128 ? 205.854 218.481 234.348 1 105.3 ? 128 E 1
+4213 N N . ASP C 3 129 ? 203.387 219.845 236.298 1 100.3 ? 129 E 1
+4214 C CA . ASP C 3 129 ? 201.989 220.24 236.289 1 100.3 ? 129 E 1
+4215 C C . ASP C 3 129 ? 201.72 221.262 237.387 1 100.3 ? 129 E 1
+4216 O O . ASP C 3 129 ? 202.491 221.401 238.34 1 100.3 ? 129 E 1
+4217 C CB . ASP C 3 129 ? 201.066 219.027 236.464 1 100.3 ? 129 E 1
+4218 C CG . ASP C 3 129 ? 201.02 218.151 235.228 1 100.3 ? 129 E 1
+4219 O OD1 . ASP C 3 129 ? 201.508 218.592 234.167 1 100.3 ? 129 E 1
+4220 O OD2 . ASP C 3 129 ? 200.492 217.023 235.316 1 100.3 ? 129 E 1
+4221 N N . ALA C 3 130 ? 200.603 221.988 237.26 1 98.16 ? 130 E 1
+4222 C CA . ALA C 3 130 ? 200.245 223.014 238.27 1 98.16 ? 130 E 1
+4223 C C . ALA C 3 130 ? 200.175 222.373 239.661 1 98.16 ? 130 E 1
+4224 O O . ALA C 3 130 ? 200.04 221.135 239.734 1 98.16 ? 130 E 1
+4225 C CB . ALA C 3 130 ? 198.94 223.672 237.897 1 98.16 ? 130 E 1
+4226 N N . SER C 3 131 ? 200.252 223.183 240.723 1 96.82 ? 131 E 1
+4227 C CA . SER C 3 131 ? 200.28 222.617 242.099 1 96.82 ? 131 E 1
+4228 C C . SER C 3 131 ? 199.55 223.532 243.086 1 96.82 ? 131 E 1
+4229 O O . SER C 3 131 ? 200.005 224.679 243.267 1 96.82 ? 131 E 1
+4230 C CB . SER C 3 131 ? 201.701 222.378 242.543 1 96.82 ? 131 E 1
+4231 O OG . SER C 3 131 ? 202.477 221.835 241.486 1 96.82 ? 131 E 1
+4232 N N . ILE C 3 132 ? 198.466 223.046 243.702 1 98.68 ? 132 E 1
+4233 C CA . ILE C 3 132 ? 197.781 223.825 244.726 1 98.68 ? 132 E 1
+4234 C C . ILE C 3 132 ? 198.423 223.493 246.068 1 98.68 ? 132 E 1
+4235 O O . ILE C 3 132 ? 198.614 222.318 246.409 1 98.68 ? 132 E 1
+4236 C CB . ILE C 3 132 ? 196.269 223.555 244.725 1 98.68 ? 132 E 1
+4237 C CG1 . ILE C 3 132 ? 195.543 224.488 245.692 1 98.68 ? 132 E 1
+4238 C CG2 . ILE C 3 132 ? 195.956 222.113 244.976 1 98.68 ? 132 E 1
+4239 C CD1 . ILE C 3 132 ? 194.051 224.452 245.532 1 98.68 ? 132 E 1
+4240 N N . VAL C 3 133 ? 198.801 224.526 246.818 1 101.21 ? 133 E 1
+4241 C CA . VAL C 3 133 ? 199.487 224.365 248.094 1 101.21 ? 133 E 1
+4242 C C . VAL C 3 133 ? 198.696 225.118 249.155 1 101.21 ? 133 E 1
+4243 O O . VAL C 3 133 ? 198.374 226.302 248.987 1 101.21 ? 133 E 1
+4244 C CB . VAL C 3 133 ? 200.939 224.857 248.03 1 101.21 ? 133 E 1
+4245 C CG1 . VAL C 3 133 ? 201.63 224.631 249.362 1 101.21 ? 133 E 1
+4246 C CG2 . VAL C 3 133 ? 201.688 224.143 246.916 1 101.21 ? 133 E 1
+4247 N N . GLY C 3 134 ? 198.384 224.427 250.248 1 105.95 ? 134 E 1
+4248 C CA . GLY C 3 134 ? 197.723 225.062 251.373 1 105.95 ? 134 E 1
+4249 C C . GLY C 3 134 ? 198.667 225.216 252.556 1 105.95 ? 134 E 1
+4250 O O . GLY C 3 134 ? 199.469 224.333 252.865 1 105.95 ? 134 E 1
+4251 N N . PHE C 3 135 ? 198.573 226.369 253.211 1 108.56 ? 135 E 1
+4252 C CA . PHE C 3 135 ? 199.389 226.698 254.376 1 108.56 ? 135 E 1
+4253 C C . PHE C 3 135 ? 198.45 226.882 255.563 1 108.56 ? 135 E 1
+4254 O O . PHE C 3 135 ? 197.774 227.909 255.675 1 108.56 ? 135 E 1
+4255 C CB . PHE C 3 135 ? 200.223 227.949 254.119 1 108.56 ? 135 E 1
+4256 C CG . PHE C 3 135 ? 201.193 227.805 252.983 1 108.56 ? 135 E 1
+4257 C CD1 . PHE C 3 135 ? 202.454 227.279 253.192 1 108.56 ? 135 E 1
+4258 C CD2 . PHE C 3 135 ? 200.836 228.181 251.701 1 108.56 ? 135 E 1
+4259 C CE1 . PHE C 3 135 ? 203.345 227.142 252.145 1 108.56 ? 135 E 1
+4260 C CE2 . PHE C 3 135 ? 201.723 228.046 250.651 1 108.56 ? 135 E 1
+4261 C CZ . PHE C 3 135 ? 202.979 227.526 250.874 1 108.56 ? 135 E 1
+4262 N N . PHE C 3 136 ? 198.409 225.887 256.449 1 107.58 ? 136 E 1
+4263 C CA . PHE C 3 136 ? 197.538 225.898 257.624 1 107.58 ? 136 E 1
+4264 C C . PHE C 3 136 ? 198.389 225.553 258.842 1 107.58 ? 136 E 1
+4265 O O . PHE C 3 136 ? 198.701 224.383 259.078 1 107.58 ? 136 E 1
+4266 C CB . PHE C 3 136 ? 196.373 224.926 257.454 1 107.58 ? 136 E 1
+4267 C CG . PHE C 3 136 ? 195.679 225.038 256.128 1 107.58 ? 136 E 1
+4268 C CD1 . PHE C 3 136 ? 194.756 226.044 255.899 1 107.58 ? 136 E 1
+4269 C CD2 . PHE C 3 136 ? 195.951 224.139 255.111 1 107.58 ? 136 E 1
+4270 C CE1 . PHE C 3 136 ? 194.116 226.149 254.68 1 107.58 ? 136 E 1
+4271 C CE2 . PHE C 3 136 ? 195.314 224.239 253.89 1 107.58 ? 136 E 1
+4272 C CZ . PHE C 3 136 ? 194.396 225.246 253.674 1 107.58 ? 136 E 1
+4273 N N . ASP C 3 137 ? 198.767 226.578 259.609 1 107.26 ? 137 E 1
+4274 C CA . ASP C 3 137 ? 199.538 226.344 260.825 1 107.26 ? 137 E 1
+4275 C C . ASP C 3 137 ? 198.74 225.53 261.835 1 107.26 ? 137 E 1
+4276 O O . ASP C 3 137 ? 199.276 224.614 262.47 1 107.26 ? 137 E 1
+4277 C CB . ASP C 3 137 ? 199.977 227.676 261.433 1 107.26 ? 137 E 1
+4278 N N . ASP C 3 138 ? 197.457 225.846 261.996 1 103.97 ? 138 E 1
+4279 C CA . ASP C 3 138 ? 196.601 225.108 262.912 1 103.97 ? 138 E 1
+4280 C C . ASP C 3 138 ? 196.102 223.832 262.246 1 103.97 ? 138 E 1
+4281 O O . ASP C 3 138 ? 195.579 223.868 261.128 1 103.97 ? 138 E 1
+4282 C CB . ASP C 3 138 ? 195.421 225.973 263.355 1 103.97 ? 138 E 1
+4283 N N . SER C 3 139 ? 196.267 222.703 262.937 1 102.39 ? 139 E 1
+4284 C CA . SER C 3 139 ? 195.828 221.425 262.388 1 102.39 ? 139 E 1
+4285 C C . SER C 3 139 ? 194.313 221.276 262.456 1 102.39 ? 139 E 1
+4286 O O . SER C 3 139 ? 193.712 220.627 261.593 1 102.39 ? 139 E 1
+4287 C CB . SER C 3 139 ? 196.51 220.274 263.128 1 102.39 ? 139 E 1
+4288 N N . PHE C 3 140 ? 193.682 221.867 263.467 1 102.95 ? 140 E 1
+4289 C CA . PHE C 3 140 ? 192.242 221.762 263.659 1 102.95 ? 140 E 1
+4290 C C . PHE C 3 140 ? 191.468 222.899 263.005 1 102.95 ? 140 E 1
+4291 O O . PHE C 3 140 ? 190.247 222.976 263.181 1 102.95 ? 140 E 1
+4292 C CB . PHE C 3 140 ? 191.914 221.712 265.155 1 102.95 ? 140 E 1
+4293 N N . SER C 3 141 ? 192.14 223.779 262.267 1 103.11 ? 141 E 1
+4294 C CA . SER C 3 141 ? 191.454 224.885 261.613 1 103.11 ? 141 E 1
+4295 C C . SER C 3 141 ? 190.485 224.365 260.557 1 103.11 ? 141 E 1
+4296 O O . SER C 3 141 ? 190.772 223.397 259.847 1 103.11 ? 141 E 1
+4297 C CB . SER C 3 141 ? 192.468 225.835 260.976 1 103.11 ? 141 E 1
+4298 N N . GLU C 3 142 ? 189.324 225.018 260.461 1 106.41 ? 142 E 1
+4299 C CA . GLU C 3 142 ? 188.312 224.593 259.499 1 106.41 ? 142 E 1
+4300 C C . GLU C 3 142 ? 188.779 224.796 258.064 1 106.41 ? 142 E 1
+4301 O O . GLU C 3 142 ? 188.311 224.099 257.155 1 106.41 ? 142 E 1
+4302 C CB . GLU C 3 142 ? 187.005 225.348 259.743 1 106.41 ? 142 E 1
+4303 N N . ALA C 3 143 ? 189.692 225.744 257.839 1 106.47 ? 143 E 1
+4304 C CA . ALA C 3 143 ? 190.223 225.954 256.496 1 106.47 ? 143 E 1
+4305 C C . ALA C 3 143 ? 190.971 224.722 256.003 1 106.47 ? 143 E 1
+4306 O O . ALA C 3 143 ? 190.819 224.317 254.845 1 106.47 ? 143 E 1
+4307 C CB . ALA C 3 143 ? 191.135 227.18 256.477 1 106.47 ? 143 E 1
+4308 N N . HIS C 3 144 ? 191.777 224.108 256.873 1 104.15 ? 144 E 1
+4309 C CA . HIS C 3 144 ? 192.489 222.892 256.496 1 104.15 ? 144 E 1
+4310 C C . HIS C 3 144 ? 191.53 221.756 256.166 1 104.15 ? 144 E 1
+4311 O O . HIS C 3 144 ? 191.742 221.032 255.188 1 104.15 ? 144 E 1
+4312 C CB . HIS C 3 144 ? 193.439 222.474 257.618 1 104.15 ? 144 E 1
+4313 C CG . HIS C 3 144 ? 194.327 221.322 257.262 1 104.15 ? 144 E 1
+4314 N ND1 . HIS C 3 144 ? 193.912 220.011 257.341 1 104.15 ? 144 E 1
+4315 C CD2 . HIS C 3 144 ? 195.61 221.285 256.831 1 104.15 ? 144 E 1
+4316 C CE1 . HIS C 3 144 ? 194.899 219.215 256.97 1 104.15 ? 144 E 1
+4317 N NE2 . HIS C 3 144 ? 195.941 219.964 256.656 1 104.15 ? 144 E 1
+4318 N N . SER C 3 145 ? 190.473 221.585 256.962 1 106.72 ? 145 E 1
+4319 C CA . SER C 3 145 ? 189.504 220.526 256.699 1 106.72 ? 145 E 1
+4320 C C . SER C 3 145 ? 188.767 220.764 255.384 1 106.72 ? 145 E 1
+4321 O O . SER C 3 145 ? 188.566 219.832 254.592 1 106.72 ? 145 E 1
+4322 C CB . SER C 3 145 ? 188.521 220.428 257.865 1 106.72 ? 145 E 1
+4323 O OG . SER C 3 145 ? 187.728 221.598 257.961 1 106.72 ? 145 E 1
+4324 N N . GLU C 3 146 ? 188.347 222.008 255.139 1 105.94 ? 146 E 1
+4325 C CA . GLU C 3 146 ? 187.68 222.328 253.882 1 105.94 ? 146 E 1
+4326 C C . GLU C 3 146 ? 188.607 222.093 252.698 1 105.94 ? 146 E 1
+4327 O O . GLU C 3 146 ? 188.178 221.589 251.654 1 105.94 ? 146 E 1
+4328 C CB . GLU C 3 146 ? 187.186 223.774 253.902 1 105.94 ? 146 E 1
+4329 N N . PHE C 3 147 ? 189.885 222.448 252.846 1 107.05 ? 147 E 1
+4330 C CA . PHE C 3 147 ? 190.861 222.162 251.802 1 107.05 ? 147 E 1
+4331 C C . PHE C 3 147 ? 191.017 220.661 251.595 1 107.05 ? 147 E 1
+4332 O O . PHE C 3 147 ? 191.215 220.201 250.467 1 107.05 ? 147 E 1
+4333 C CB . PHE C 3 147 ? 192.201 222.806 252.158 1 107.05 ? 147 E 1
+4334 C CG . PHE C 3 147 ? 193.297 222.52 251.174 1 107.05 ? 147 E 1
+4335 C CD1 . PHE C 3 147 ? 193.365 223.21 249.975 1 107.05 ? 147 E 1
+4336 C CD2 . PHE C 3 147 ? 194.268 221.573 251.452 1 107.05 ? 147 E 1
+4337 C CE1 . PHE C 3 147 ? 194.375 222.954 249.068 1 107.05 ? 147 E 1
+4338 C CE2 . PHE C 3 147 ? 195.28 221.312 250.549 1 107.05 ? 147 E 1
+4339 C CZ . PHE C 3 147 ? 195.334 222.004 249.355 1 107.05 ? 147 E 1
+4340 N N . LEU C 3 148 ? 190.93 219.883 252.676 1 104.21 ? 148 E 1
+4341 C CA . LEU C 3 148 ? 191.026 218.431 252.558 1 104.21 ? 148 E 1
+4342 C C . LEU C 3 148 ? 189.858 217.862 251.759 1 104.21 ? 148 E 1
+4343 O O . LEU C 3 148 ? 190.048 217.019 250.873 1 104.21 ? 148 E 1
+4344 C CB . LEU C 3 148 ? 191.09 217.797 253.948 1 104.21 ? 148 E 1
+4345 N N . LYS C 3 149 ? 188.634 218.308 252.06 1 105.46 ? 149 E 1
+4346 C CA . LYS C 3 149 ? 187.493 217.853 251.263 1 105.46 ? 149 E 1
+4347 C C . LYS C 3 149 ? 187.588 218.33 249.817 1 105.46 ? 149 E 1
+4348 O O . LYS C 3 149 ? 187.218 217.597 248.892 1 105.46 ? 149 E 1
+4349 C CB . LYS C 3 149 ? 186.154 218.277 251.876 1 105.46 ? 149 E 1
+4350 C CG . LYS C 3 149 ? 184.92 217.768 251.126 1 105.46 ? 149 E 1
+4351 C CD . LYS C 3 149 ? 183.591 218.136 251.741 1 105.46 ? 149 E 1
+4352 C CE . LYS C 3 149 ? 182.453 217.598 250.896 1 105.46 ? 149 E 1
+4353 N NZ . LYS C 3 149 ? 181.138 217.949 251.484 1 105.46 ? 149 E 1
+4354 N N . ALA C 3 150 ? 188.071 219.555 249.599 1 104.98 ? 150 E 1
+4355 C CA . ALA C 3 150 ? 188.253 220.041 248.235 1 104.98 ? 150 E 1
+4356 C C . ALA C 3 150 ? 189.255 219.177 247.48 1 104.98 ? 150 E 1
+4357 O O . ALA C 3 150 ? 189.068 218.873 246.297 1 104.98 ? 150 E 1
+4358 C CB . ALA C 3 150 ? 188.7 221.503 248.254 1 104.98 ? 150 E 1
+4359 N N . ALA C 3 151 ? 190.333 218.777 248.156 1 107.51 ? 151 E 1
+4360 C CA . ALA C 3 151 ? 191.31 217.879 247.552 1 107.51 ? 151 E 1
+4361 C C . ALA C 3 151 ? 190.683 216.532 247.227 1 107.51 ? 151 E 1
+4362 O O . ALA C 3 151 ? 190.92 215.967 246.154 1 107.51 ? 151 E 1
+4363 C CB . ALA C 3 151 ? 192.507 217.704 248.487 1 107.51 ? 151 E 1
+4364 N N . SER C 3 152 ? 189.88 215.999 248.149 1 104.74 ? 152 E 1
+4365 C CA . SER C 3 152 ? 189.252 214.702 247.918 1 104.74 ? 152 E 1
+4366 C C . SER C 3 152 ? 188.306 214.749 246.724 1 104.74 ? 152 E 1
+4367 O O . SER C 3 152 ? 188.282 213.824 245.904 1 104.74 ? 152 E 1
+4368 C CB . SER C 3 152 ? 188.508 214.249 249.173 1 104.74 ? 152 E 1
+4369 O OG . SER C 3 152 ? 187.44 215.129 249.476 1 104.74 ? 152 E 1
+4370 N N . ASN C 3 153 ? 187.52 215.822 246.607 1 103.75 ? 153 E 1
+4371 C CA . ASN C 3 153 ? 186.523 215.893 245.543 1 103.75 ? 153 E 1
+4372 C C . ASN C 3 153 ? 187.17 216.068 244.173 1 103.75 ? 153 E 1
+4373 O O . ASN C 3 153 ? 186.819 215.36 243.222 1 103.75 ? 153 E 1
+4374 C CB . ASN C 3 153 ? 185.541 217.03 245.824 1 103.75 ? 153 E 1
+4375 C CG . ASN C 3 153 ? 184.647 216.744 247.015 1 103.75 ? 153 E 1
+4376 O OD1 . ASN C 3 153 ? 184.442 215.589 247.388 1 103.75 ? 153 E 1
+4377 N ND2 . ASN C 3 153 ? 184.11 217.797 247.619 1 103.75 ? 153 E 1
+4378 N N . LEU C 3 154 ? 188.116 216.997 244.051 1 104.62 ? 154 E 1
+4379 C CA . LEU C 3 154 ? 188.777 217.282 242.784 1 104.62 ? 154 E 1
+4380 C C . LEU C 3 154 ? 190.137 216.607 242.67 1 104.62 ? 154 E 1
+4381 O O . LEU C 3 154 ? 191.045 217.164 242.045 1 104.62 ? 154 E 1
+4382 C CB . LEU C 3 154 ? 188.927 218.793 242.596 1 104.62 ? 154 E 1
+4383 N N . ARG C 3 155 ? 190.311 215.439 243.292 1 104.93 ? 155 E 1
+4384 C CA . ARG C 3 155 ? 191.663 214.809 243.34 1 104.93 ? 155 E 1
+4385 C C . ARG C 3 155 ? 192.158 214.377 241.955 1 104.93 ? 155 E 1
+4386 O O . ARG C 3 155 ? 193.368 214.534 241.701 1 104.93 ? 155 E 1
+4387 C CB . ARG C 3 155 ? 191.637 213.606 244.289 1 104.93 ? 155 E 1
+4388 C CG . ARG C 3 155 ? 193.005 213.203 244.819 1 104.93 ? 155 E 1
+4389 C CD . ARG C 3 155 ? 192.911 212.025 245.768 1 104.93 ? 155 E 1
+4390 N NE . ARG C 3 155 ? 191.88 212.223 246.777 1 104.93 ? 155 E 1
+4391 C CZ . ARG C 3 155 ? 191.602 211.36 247.747 1 104.93 ? 155 E 1
+4392 N NH1 . ARG C 3 155 ? 192.287 210.233 247.846 1 104.93 ? 155 E 1
+4393 N NH2 . ARG C 3 155 ? 190.645 211.628 248.616 1 104.93 ? 155 E 1
+4394 N N . ASP C 3 156 ? 191.278 213.862 241.094 1 99.97 ? 156 E 1
+4395 C CA . ASP C 3 156 ? 191.705 213.319 239.811 1 99.97 ? 156 E 1
+4396 C C . ASP C 3 156 ? 192.008 214.391 238.77 1 99.97 ? 156 E 1
+4397 O O . ASP C 3 156 ? 192.191 214.053 237.596 1 99.97 ? 156 E 1
+4398 C CB . ASP C 3 156 ? 190.641 212.362 239.269 1 99.97 ? 156 E 1
+4399 N N . ASN C 3 157 ? 192.068 215.655 239.156 1 102.44 ? 157 E 1
+4400 C CA . ASN C 3 157 ? 192.306 216.714 238.182 1 102.44 ? 157 E 1
+4401 C C . ASN C 3 157 ? 193.437 217.653 238.573 1 102.44 ? 157 E 1
+4402 O O . ASN C 3 157 ? 194.051 218.259 237.692 1 102.44 ? 157 E 1
+4403 C CB . ASN C 3 157 ? 191.016 217.521 237.965 1 102.44 ? 157 E 1
+4404 C CG . ASN C 3 157 ? 189.87 216.663 237.471 1 102.44 ? 157 E 1
+4405 O OD1 . ASN C 3 157 ? 190.034 215.854 236.558 1 102.44 ? 157 E 1
+4406 N ND2 . ASN C 3 157 ? 188.7 216.833 238.076 1 102.44 ? 157 E 1
+4407 N N . TYR C 3 158 ? 193.73 217.79 239.864 1 102.67 ? 158 E 1
+4408 C CA . TYR C 3 158 ? 194.713 218.753 240.335 1 102.67 ? 158 E 1
+4409 C C . TYR C 3 158 ? 195.628 218.105 241.364 1 102.67 ? 158 E 1
+4410 O O . TYR C 3 158 ? 195.273 217.105 241.993 1 102.67 ? 158 E 1
+4411 C CB . TYR C 3 158 ? 194.032 219.986 240.94 1 102.67 ? 158 E 1
+4412 C CG . TYR C 3 158 ? 192.848 220.478 240.139 1 102.67 ? 158 E 1
+4413 C CD1 . TYR C 3 158 ? 193.019 221.025 238.875 1 102.67 ? 158 E 1
+4414 C CD2 . TYR C 3 158 ? 191.559 220.39 240.645 1 102.67 ? 158 E 1
+4415 C CE1 . TYR C 3 158 ? 191.94 221.474 238.138 1 102.67 ? 158 E 1
+4416 C CE2 . TYR C 3 158 ? 190.473 220.836 239.917 1 102.67 ? 158 E 1
+4417 C CZ . TYR C 3 158 ? 190.669 221.377 238.664 1 102.67 ? 158 E 1
+4418 O OH . TYR C 3 158 ? 189.591 221.822 237.936 1 102.67 ? 158 E 1
+4419 N N . ARG C 3 159 ? 196.837 218.676 241.477 1 98.23 ? 159 E 1
+4420 C CA . ARG C 3 159 ? 197.843 218.171 242.446 1 98.23 ? 159 E 1
+4421 C C . ARG C 3 159 ? 197.728 218.991 243.728 1 98.23 ? 159 E 1
+4422 O O . ARG C 3 159 ? 198.126 220.173 243.71 1 98.23 ? 159 E 1
+4423 C CB . ARG C 3 159 ? 199.257 218.308 241.873 1 98.23 ? 159 E 1
+4424 C CG . ARG C 3 159 ? 199.441 217.693 240.493 1 98.23 ? 159 E 1
+4425 C CD . ARG C 3 159 ? 200.835 217.928 239.941 1 98.23 ? 159 E 1
+4426 N NE . ARG C 3 159 ? 201.881 217.294 240.732 1 98.23 ? 159 E 1
+4427 C CZ . ARG C 3 159 ? 202.574 217.895 241.693 1 98.23 ? 159 E 1
+4428 N NH1 . ARG C 3 159 ? 202.335 219.161 241.991 1 98.23 ? 159 E 1
+4429 N NH2 . ARG C 3 159 ? 203.506 217.23 242.351 1 98.23 ? 159 E 1
+4430 N N . PHE C 3 160 ? 197.211 218.384 244.792 1 105.15 ? 160 E 1
+4431 C CA . PHE C 3 160 ? 197.016 219.068 246.063 1 105.15 ? 160 E 1
+4432 C C . PHE C 3 160 ? 198.137 218.745 247.04 1 105.15 ? 160 E 1
+4433 O O . PHE C 3 160 ? 198.636 217.618 247.086 1 105.15 ? 160 E 1
+4434 C CB . PHE C 3 160 ? 195.67 218.696 246.694 1 105.15 ? 160 E 1
+4435 C CG . PHE C 3 160 ? 194.476 218.997 245.827 1 105.15 ? 160 E 1
+4436 C CD1 . PHE C 3 160 ? 194.212 218.25 244.692 1 105.15 ? 160 E 1
+4437 C CD2 . PHE C 3 160 ? 193.616 220.034 246.151 1 105.15 ? 160 E 1
+4438 C CE1 . PHE C 3 160 ? 193.116 218.527 243.902 1 105.15 ? 160 E 1
+4439 C CE2 . PHE C 3 160 ? 192.52 220.32 245.36 1 105.15 ? 160 E 1
+4440 C CZ . PHE C 3 160 ? 192.269 219.564 244.235 1 105.15 ? 160 E 1
+4441 N N . ALA C 3 161 ? 198.528 219.749 247.824 1 105.09 ? 161 E 1
+4442 C CA . ALA C 3 161 ? 199.453 219.543 248.927 1 105.09 ? 161 E 1
+4443 C C . ALA C 3 161 ? 199.124 220.522 250.043 1 105.09 ? 161 E 1
+4444 O O . ALA C 3 161 ? 198.536 221.581 249.815 1 105.09 ? 161 E 1
+4445 C CB . ALA C 3 161 ? 200.913 219.712 248.492 1 105.09 ? 161 E 1
+4446 N N . HIS C 3 162 ? 199.517 220.158 251.26 1 107.74 ? 162 E 1
+4447 C CA . HIS C 3 162 ? 199.313 221.018 252.415 1 107.74 ? 162 E 1
+4448 C C . HIS C 3 162 ? 200.548 220.953 253.297 1 107.74 ? 162 E 1
+4449 O O . HIS C 3 162 ? 201.305 219.979 253.267 1 107.74 ? 162 E 1
+4450 C CB . HIS C 3 162 ? 198.065 220.617 253.211 1 107.74 ? 162 E 1
+4451 C CG . HIS C 3 162 ? 198.157 219.259 253.833 1 107.74 ? 162 E 1
+4452 N ND1 . HIS C 3 162 ? 198.352 219.072 255.184 1 107.74 ? 162 E 1
+4453 C CD2 . HIS C 3 162 ? 198.083 218.022 253.289 1 107.74 ? 162 E 1
+4454 C CE1 . HIS C 3 162 ? 198.391 217.777 255.446 1 107.74 ? 162 E 1
+4455 N NE2 . HIS C 3 162 ? 198.229 217.118 254.313 1 107.74 ? 162 E 1
+4456 N N . THR C 3 163 ? 200.748 222.006 254.084 1 103.76 ? 163 E 1
+4457 C CA . THR C 3 163 ? 201.907 222.065 254.964 1 103.76 ? 163 E 1
+4458 C C . THR C 3 163 ? 201.626 223.041 256.097 1 103.76 ? 163 E 1
+4459 O O . THR C 3 163 ? 200.689 223.84 256.043 1 103.76 ? 163 E 1
+4460 C CB . THR C 3 163 ? 203.172 222.468 254.202 1 103.76 ? 163 E 1
+4461 O OG1 . THR C 3 163 ? 204.306 222.379 255.073 1 103.76 ? 163 E 1
+4462 C CG2 . THR C 3 163 ? 203.05 223.887 253.683 1 103.76 ? 163 E 1
+4463 N N . ASN C 3 164 ? 202.461 222.957 257.136 1 104.92 ? 164 E 1
+4464 C CA . ASN C 3 164 ? 202.367 223.838 258.292 1 104.92 ? 164 E 1
+4465 C C . ASN C 3 164 ? 203.726 224.368 258.733 1 104.92 ? 164 E 1
+4466 O O . ASN C 3 164 ? 203.865 224.792 259.886 1 104.92 ? 164 E 1
+4467 C CB . ASN C 3 164 ? 201.685 223.12 259.463 1 104.92 ? 164 E 1
+4468 C CG . ASN C 3 164 ? 202.36 221.809 259.815 1 104.92 ? 164 E 1
+4469 O OD1 . ASN C 3 164 ? 203.258 221.35 259.11 1 104.92 ? 164 E 1
+4470 N ND2 . ASN C 3 164 ? 201.928 221.199 260.912 1 104.92 ? 164 E 1
+4471 N N . VAL C 3 165 ? 204.73 224.346 257.854 1 105.19 ? 165 E 1
+4472 C CA . VAL C 3 165 ? 206.051 224.857 258.204 1 105.19 ? 165 E 1
+4473 C C . VAL C 3 165 ? 205.947 226.349 258.484 1 105.19 ? 165 E 1
+4474 O O . VAL C 3 165 ? 205.294 227.09 257.739 1 105.19 ? 165 E 1
+4475 C CB . VAL C 3 165 ? 207.058 224.562 257.087 1 105.19 ? 165 E 1
+4476 C CG1 . VAL C 3 165 ? 208.46 224.967 257.514 1 105.19 ? 165 E 1
+4477 C CG2 . VAL C 3 165 ? 207.017 223.089 256.715 1 105.19 ? 165 E 1
+4478 N N . GLU C 3 166 ? 206.592 226.796 259.566 1 108.76 ? 166 E 1
+4479 C CA . GLU C 3 166 ? 206.468 228.188 259.986 1 108.76 ? 166 E 1
+4480 C C . GLU C 3 166 ? 206.966 229.144 258.91 1 108.76 ? 166 E 1
+4481 O O . GLU C 3 166 ? 206.31 230.149 258.612 1 108.76 ? 166 E 1
+4482 C CB . GLU C 3 166 ? 207.232 228.41 261.292 1 108.76 ? 166 E 1
+4483 N N . SER C 3 167 ? 208.121 228.848 258.313 1 107.52 ? 167 E 1
+4484 C CA . SER C 3 167 ? 208.627 229.683 257.228 1 107.52 ? 167 E 1
+4485 C C . SER C 3 167 ? 207.686 229.649 256.03 1 107.52 ? 167 E 1
+4486 O O . SER C 3 167 ? 207.402 230.684 255.416 1 107.52 ? 167 E 1
+4487 C CB . SER C 3 167 ? 210.03 229.227 256.826 1 107.52 ? 167 E 1
+4488 O OG . SER C 3 167 ? 210.001 227.924 256.27 1 107.52 ? 167 E 1
+4489 N N . LEU C 3 168 ? 207.187 228.459 255.688 1 107.26 ? 168 E 1
+4490 C CA . LEU C 3 168 ? 206.282 228.328 254.552 1 107.26 ? 168 E 1
+4491 C C . LEU C 3 168 ? 204.97 229.065 254.795 1 107.26 ? 168 E 1
+4492 O O . LEU C 3 168 ? 204.455 229.739 253.894 1 107.26 ? 168 E 1
+4493 C CB . LEU C 3 168 ? 206.025 226.849 254.262 1 107.26 ? 168 E 1
+4494 N N . VAL C 3 169 ? 204.411 228.949 256.002 1 108.36 ? 169 E 1
+4495 C CA . VAL C 3 169 ? 203.156 229.63 256.307 1 108.36 ? 169 E 1
+4496 C C . VAL C 3 169 ? 203.359 231.141 256.342 1 108.36 ? 169 E 1
+4497 O O . VAL C 3 169 ? 202.507 231.905 255.873 1 108.36 ? 169 E 1
+4498 C CB . VAL C 3 169 ? 202.568 229.103 257.63 1 108.36 ? 169 E 1
+4499 C CG1 . VAL C 3 169 ? 201.363 229.93 258.048 1 108.36 ? 169 E 1
+4500 C CG2 . VAL C 3 169 ? 202.176 227.64 257.488 1 108.36 ? 169 E 1
+4501 N N . ASN C 3 170 ? 204.484 231.597 256.893 1 107.88 ? 170 E 1
+4502 C CA . ASN C 3 170 ? 204.74 233.03 256.979 1 107.88 ? 170 E 1
+4503 C C . ASN C 3 170 ? 205.017 233.652 255.616 1 107.88 ? 170 E 1
+4504 O O . ASN C 3 170 ? 204.622 234.798 255.373 1 107.88 ? 170 E 1
+4505 C CB . ASN C 3 170 ? 205.913 233.299 257.923 1 107.88 ? 170 E 1
+4506 N N . GLU C 3 171 ? 205.688 232.897 254.741 1 106.15 ? 171 E 1
+4507 C CA . GLU C 3 171 ? 206.027 233.409 253.387 1 106.15 ? 171 E 1
+4508 C C . GLU C 3 171 ? 204.816 233.247 252.463 1 106.15 ? 171 E 1
+4509 O O . GLU C 3 171 ? 204.925 233.625 251.28 1 106.15 ? 171 E 1
+4510 C CB . GLU C 3 171 ? 207.239 232.664 252.825 1 106.15 ? 171 E 1
+4511 N N . TYR C 3 172 ? 203.709 232.715 252.987 1 108.45 ? 172 E 1
+4512 C CA . TYR C 3 172 ? 202.511 232.475 252.14 1 108.45 ? 172 E 1
+4513 C C . TYR C 3 172 ? 201.241 232.759 252.945 1 108.45 ? 172 E 1
+4514 O O . TYR C 3 172 ? 200.886 231.935 253.809 1 108.45 ? 172 E 1
+4515 C CB . TYR C 3 172 ? 202.526 231.048 251.59 1 108.45 ? 172 E 1
+4516 C CG . TYR C 3 172 ? 203.637 230.77 250.609 1 108.45 ? 172 E 1
+4517 C CD1 . TYR C 3 172 ? 203.468 231.008 249.255 1 108.45 ? 172 E 1
+4518 C CD2 . TYR C 3 172 ? 204.858 230.273 251.032 1 108.45 ? 172 E 1
+4519 C CE1 . TYR C 3 172 ? 204.483 230.758 248.347 1 108.45 ? 172 E 1
+4520 C CE2 . TYR C 3 172 ? 205.883 230.015 250.137 1 108.45 ? 172 E 1
+4521 C CZ . TYR C 3 172 ? 205.695 230.259 248.789 1 108.45 ? 172 E 1
+4522 O OH . TYR C 3 172 ? 206.699 230.009 247.899 1 108.45 ? 172 E 1
+4523 N N . ASP C 3 173 ? 200.576 233.885 252.664 1 103.73 ? 173 E 1
+4524 C CA . ASP C 3 173 ? 199.312 234.237 253.368 1 103.73 ? 173 E 1
+4525 C C . ASP C 3 173 ? 199.609 234.569 254.834 1 103.73 ? 173 E 1
+4526 O O . ASP C 3 173 ? 199.512 235.758 255.197 1 103.73 ? 173 E 1
+4527 C CB . ASP C 3 173 ? 198.276 233.116 253.256 1 103.73 ? 173 E 1
+4528 C CG . ASP C 3 173 ? 197.114 233.276 254.222 1 103.73 ? 173 E 1
+4529 O OD1 . ASP C 3 173 ? 196.568 234.393 254.302 1 103.73 ? 173 E 1
+4530 O OD2 . ASP C 3 173 ? 196.778 232.285 254.898 1 103.73 ? 173 E 1
+4531 N N . ASP C 3 174 ? 199.943 233.557 255.64 1 105.89 ? 174 E 1
+4532 C CA . ASP C 3 174 ? 200.195 233.778 257.09 1 105.89 ? 174 E 1
+4533 C C . ASP C 3 174 ? 198.992 234.507 257.697 1 105.89 ? 174 E 1
+4534 O O . ASP C 3 174 ? 199.206 235.371 258.57 1 105.89 ? 174 E 1
+4535 C CB . ASP C 3 174 ? 201.502 234.542 257.318 1 105.89 ? 174 E 1
+4536 N N . ASN C 3 175 ? 197.779 234.171 257.247 1 103.17 ? 175 E 1
+4537 C CA . ASN C 3 175 ? 196.547 234.826 257.765 1 103.17 ? 175 E 1
+4538 C C . ASN C 3 175 ? 195.4 233.811 257.769 1 103.17 ? 175 E 1
+4539 O O . ASN C 3 175 ? 194.289 234.183 258.195 1 103.17 ? 175 E 1
+4540 C CB . ASN C 3 175 ? 196.189 236.077 256.959 1 103.17 ? 175 E 1
+4541 N N . GLY C 3 176 ? 195.659 232.582 257.311 1 104.86 ? 176 E 1
+4542 C CA . GLY C 3 176 ? 194.636 231.555 257.299 1 104.86 ? 176 E 1
+4543 C C . GLY C 3 176 ? 194.051 231.369 255.916 1 104.86 ? 176 E 1
+4544 O O . GLY C 3 176 ? 193.951 232.332 255.149 1 104.86 ? 176 E 1
+4545 N N . GLU C 3 177 ? 193.651 230.137 255.589 1 109.15 ? 177 E 1
+4546 C CA . GLU C 3 177 ? 193.162 229.793 254.254 1 109.15 ? 177 E 1
+4547 C C . GLU C 3 177 ? 194.185 230.181 253.187 1 109.15 ? 177 E 1
+4548 O O . GLU C 3 177 ? 193.851 230.738 252.139 1 109.15 ? 177 E 1
+4549 C CB . GLU C 3 177 ? 191.801 230.439 253.978 1 109.15 ? 177 E 1
+4550 N N . GLY C 3 178 ? 195.449 229.874 253.467 1 106.53 ? 178 E 1
+4551 C CA . GLY C 3 178 ? 196.542 230.232 252.585 1 106.53 ? 178 E 1
+4552 C C . GLY C 3 178 ? 196.687 229.279 251.419 1 106.53 ? 178 E 1
+4553 O O . GLY C 3 178 ? 197.557 228.405 251.428 1 106.53 ? 178 E 1
+4554 N N . ILE C 3 179 ? 195.815 229.422 250.428 1 108.02 ? 179 E 1
+4555 C CA . ILE C 3 179 ? 195.792 228.558 249.254 1 108.02 ? 179 E 1
+4556 C C . ILE C 3 179 ? 196.48 229.316 248.124 1 108.02 ? 179 E 1
+4557 O O . ILE C 3 179 ? 196.035 230.395 247.722 1 108.02 ? 179 E 1
+4558 C CB . ILE C 3 179 ? 194.363 228.157 248.882 1 108.02 ? 179 E 1
+4559 C CG1 . ILE C 3 179 ? 193.615 227.641 250.113 1 108.02 ? 179 E 1
+4560 C CG2 . ILE C 3 179 ? 194.374 227.123 247.786 1 108.02 ? 179 E 1
+4561 C CD1 . ILE C 3 179 ? 192.155 227.34 249.857 1 108.02 ? 179 E 1
+4562 N N . ILE C 3 180 ? 197.571 228.755 247.606 1 104.59 ? 180 E 1
+4563 C CA . ILE C 3 180 ? 198.354 229.379 246.543 1 104.59 ? 180 E 1
+4564 C C . ILE C 3 180 ? 198.514 228.38 245.404 1 104.59 ? 180 E 1
+4565 O O . ILE C 3 180 ? 198.81 227.2 245.634 1 104.59 ? 180 E 1
+4566 C CB . ILE C 3 180 ? 199.719 229.874 247.049 1 104.59 ? 180 E 1
+4567 C CG1 . ILE C 3 180 ? 199.544 230.969 248.108 1 104.59 ? 180 E 1
+4568 C CG2 . ILE C 3 180 ? 200.567 230.388 245.896 1 104.59 ? 180 E 1
+4569 C CD1 . ILE C 3 180 ? 199.425 230.472 249.527 1 104.59 ? 180 E 1
+4570 N N . LEU C 3 181 ? 198.316 228.856 244.175 1 101.02 ? 181 E 1
+4571 C CA . LEU C 3 181 ? 198.424 228.016 242.983 1 101.02 ? 181 E 1
+4572 C C . LEU C 3 181 ? 199.732 228.343 242.275 1 101.02 ? 181 E 1
+4573 O O . LEU C 3 181 ? 199.924 229.438 241.746 1 101.02 ? 181 E 1
+4574 C CB . LEU C 3 181 ? 197.222 228.225 242.07 1 101.02 ? 181 E 1
+4575 C CG . LEU C 3 181 ? 197.091 227.287 240.869 1 101.02 ? 181 E 1
+4576 C CD1 . LEU C 3 181 ? 195.633 226.966 240.622 1 101.02 ? 181 E 1
+4577 C CD2 . LEU C 3 181 ? 197.714 227.9 239.623 1 101.02 ? 181 E 1
+4578 N N . PHE C 3 182 ? 200.643 227.375 242.264 1 103.09 ? 182 E 1
+4579 C CA . PHE C 3 182 ? 201.891 227.505 241.525 1 103.09 ? 182 E 1
+4580 C C . PHE C 3 182 ? 201.744 226.847 240.159 1 103.09 ? 182 E 1
+4581 O O . PHE C 3 182 ? 201.538 225.632 240.066 1 103.09 ? 182 E 1
+4582 C CB . PHE C 3 182 ? 203.047 226.879 242.302 1 103.09 ? 182 E 1
+4583 C CG . PHE C 3 182 ? 203.217 227.429 243.69 1 103.09 ? 182 E 1
+4584 C CD1 . PHE C 3 182 ? 202.489 226.917 244.751 1 103.09 ? 182 E 1
+4585 C CD2 . PHE C 3 182 ? 204.113 228.456 243.933 1 103.09 ? 182 E 1
+4586 C CE1 . PHE C 3 182 ? 202.648 227.425 246.026 1 103.09 ? 182 E 1
+4587 C CE2 . PHE C 3 182 ? 204.278 228.966 245.206 1 103.09 ? 182 E 1
+4588 C CZ . PHE C 3 182 ? 203.544 228.449 246.254 1 103.09 ? 182 E 1
+4589 N N . ARG C 3 183 ? 201.847 227.68 239.115 1 105.8 ? 183 E 1
+4590 C CA . ARG C 3 183 ? 201.758 227.173 237.721 1 105.8 ? 183 E 1
+4591 C C . ARG C 3 183 ? 203.081 226.494 237.367 1 105.8 ? 183 E 1
+4592 O O . ARG C 3 183 ? 204.103 226.823 238 1 105.8 ? 183 E 1
+4593 C CB . ARG C 3 183 ? 201.429 228.32 236.76 1 105.8 ? 183 E 1
+4594 C CG . ARG C 3 183 ? 200.063 228.949 236.997 1 105.8 ? 183 E 1
+4595 C CD . ARG C 3 183 ? 199.711 229.993 235.955 1 105.8 ? 183 E 1
+4596 N NE . ARG C 3 183 ? 198.37 230.529 236.141 1 105.8 ? 183 E 1
+4597 C CZ . ARG C 3 183 ? 198.082 231.591 236.884 1 105.8 ? 183 E 1
+4598 N NH1 . ARG C 3 183 ? 199.047 232.237 237.516 1 105.8 ? 183 E 1
+4599 N NH2 . ARG C 3 183 ? 196.832 232.003 236.992 1 105.8 ? 183 E 1
+4600 N N . PRO C 3 184 ? 203.108 225.565 236.391 1 103.59 ? 184 E 1
+4601 C CA . PRO C 3 184 ? 204.315 224.788 236.081 1 103.59 ? 184 E 1
+4602 C C . PRO C 3 184 ? 205.525 225.673 235.822 1 103.59 ? 184 E 1
+4603 O O . PRO C 3 184 ? 205.423 226.739 235.209 1 103.59 ? 184 E 1
+4604 C CB . PRO C 3 184 ? 203.912 224.003 234.829 1 103.59 ? 184 E 1
+4605 C CG . PRO C 3 184 ? 202.443 223.848 234.95 1 103.59 ? 184 E 1
+4606 C CD . PRO C 3 184 ? 201.94 225.095 235.623 1 103.59 ? 184 E 1
+4607 N N . SER C 3 185 ? 206.684 225.217 236.304 1 104.2 ? 185 E 1
+4608 C CA . SER C 3 185 ? 207.901 226.018 236.245 1 104.2 ? 185 E 1
+4609 C C . SER C 3 185 ? 208.387 226.246 234.82 1 104.2 ? 185 E 1
+4610 O O . SER C 3 185 ? 209.107 227.219 234.573 1 104.2 ? 185 E 1
+4611 C CB . SER C 3 185 ? 209.003 225.351 237.07 1 104.2 ? 185 E 1
+4612 O OG . SER C 3 185 ? 210.212 226.087 236.992 1 104.2 ? 185 E 1
+4613 N N . HIS C 3 186 ? 208.015 225.38 233.881 1 103.81 ? 186 E 1
+4614 C CA . HIS C 3 186 ? 208.383 225.552 232.483 1 103.81 ? 186 E 1
+4615 C C . HIS C 3 186 ? 207.381 226.414 231.728 1 103.81 ? 186 E 1
+4616 O O . HIS C 3 186 ? 207.509 226.575 230.51 1 103.81 ? 186 E 1
+4617 C CB . HIS C 3 186 ? 208.524 224.192 231.796 1 103.81 ? 186 E 1
+4618 C CG . HIS C 3 186 ? 207.22 223.502 231.547 1 103.81 ? 186 E 1
+4619 N ND1 . HIS C 3 186 ? 206.497 223.674 230.386 1 103.81 ? 186 E 1
+4620 C CD2 . HIS C 3 186 ? 206.508 222.637 232.308 1 103.81 ? 186 E 1
+4621 C CE1 . HIS C 3 186 ? 205.397 222.946 230.443 1 103.81 ? 186 E 1
+4622 N NE2 . HIS C 3 186 ? 205.379 222.307 231.598 1 103.81 ? 186 E 1
+4623 N N . LEU C 3 187 ? 206.388 226.968 232.423 1 100.84 ? 187 E 1
+4624 C CA . LEU C 3 187 ? 205.363 227.8 231.808 1 100.84 ? 187 E 1
+4625 C C . LEU C 3 187 ? 205.411 229.241 232.3 1 100.84 ? 187 E 1
+4626 O O . LEU C 3 187 ? 204.413 229.96 232.173 1 100.84 ? 187 E 1
+4627 C CB . LEU C 3 187 ? 203.975 227.207 232.067 1 100.84 ? 187 E 1
+4628 C CG . LEU C 3 187 ? 203.622 225.949 231.276 1 100.84 ? 187 E 1
+4629 C CD1 . LEU C 3 187 ? 202.172 225.558 231.511 1 100.84 ? 187 E 1
+4630 C CD2 . LEU C 3 187 ? 203.888 226.161 229.8 1 100.84 ? 187 E 1
+4631 N N . THR C 3 188 ? 206.535 229.678 232.861 1 105.84 ? 188 E 1
+4632 C CA . THR C 3 188 ? 206.644 231.025 233.401 1 105.84 ? 188 E 1
+4633 C C . THR C 3 188 ? 206.564 232.061 232.288 1 105.84 ? 188 E 1
+4634 O O . THR C 3 188 ? 206.947 231.8 231.144 1 105.84 ? 188 E 1
+4635 C CB . THR C 3 188 ? 207.952 231.189 234.178 1 105.84 ? 188 E 1
+4636 O OG1 . THR C 3 188 ? 207.976 232.475 234.811 1 105.84 ? 188 E 1
+4637 C CG2 . THR C 3 188 ? 209.153 231.058 233.253 1 105.84 ? 188 E 1
+4638 N N . ASN C 3 189 ? 206.046 233.236 232.627 1 114.1 ? 189 E 1
+4639 C CA . ASN C 3 189 ? 205.861 234.309 231.658 1 114.1 ? 189 E 1
+4640 C C . ASN C 3 189 ? 205.987 235.65 232.38 1 114.1 ? 189 E 1
+4641 O O . ASN C 3 189 ? 206.421 235.735 233.536 1 114.1 ? 189 E 1
+4642 C CB . ASN C 3 189 ? 204.517 234.146 230.943 1 114.1 ? 189 E 1
+4643 C CG . ASN C 3 189 ? 203.346 234.175 231.901 1 114.1 ? 189 E 1
+4644 O OD1 . ASN C 3 189 ? 202.815 235.239 232.215 1 114.1 ? 189 E 1
+4645 N ND2 . ASN C 3 189 ? 202.937 233.004 232.373 1 114.1 ? 189 E 1
+4646 N N . LYS C 3 190 ? 205.603 236.724 231.694 1 114.14 ? 190 E 1
+4647 C CA . LYS C 3 190 ? 205.739 238.082 232.208 1 114.14 ? 190 E 1
+4648 C C . LYS C 3 190 ? 204.421 238.725 232.603 1 114.14 ? 190 E 1
+4649 O O . LYS C 3 190 ? 204.274 239.166 233.745 1 114.14 ? 190 E 1
+4650 C CB . LYS C 3 190 ? 206.412 238.972 231.161 1 114.14 ? 190 E 1
+4651 C CG . LYS C 3 190 ? 207.804 238.546 230.765 1 114.14 ? 190 E 1
+4652 C CD . LYS C 3 190 ? 208.718 238.652 231.962 1 114.14 ? 190 E 1
+4653 C CE . LYS C 3 190 ? 210.138 238.297 231.558 1 114.14 ? 190 E 1
+4654 N NZ . LYS C 3 190 ? 211.074 238.363 232.715 1 114.14 ? 190 E 1
+4655 N N . PHE C 3 191 ? 203.46 238.795 231.679 1 117.78 ? 191 E 1
+4656 C CA . PHE C 3 191 ? 202.245 239.565 231.925 1 117.78 ? 191 E 1
+4657 C C . PHE C 3 191 ? 201.377 238.916 232.996 1 117.78 ? 191 E 1
+4658 O O . PHE C 3 191 ? 200.618 239.605 233.687 1 117.78 ? 191 E 1
+4659 C CB . PHE C 3 191 ? 201.461 239.735 230.624 1 117.78 ? 191 E 1
+4660 C CG . PHE C 3 191 ? 202.133 240.633 229.624 1 117.78 ? 191 E 1
+4661 C CD1 . PHE C 3 191 ? 202.006 242.009 229.713 1 117.78 ? 191 E 1
+4662 C CD2 . PHE C 3 191 ? 202.892 240.101 228.596 1 117.78 ? 191 E 1
+4663 C CE1 . PHE C 3 191 ? 202.623 242.838 228.794 1 117.78 ? 191 E 1
+4664 C CE2 . PHE C 3 191 ? 203.512 240.924 227.674 1 117.78 ? 191 E 1
+4665 C CZ . PHE C 3 191 ? 203.377 242.294 227.774 1 117.78 ? 191 E 1
+4666 N N . GLU C 3 192 ? 201.471 237.599 233.149 1 121.73 ? 192 E 1
+4667 C CA . GLU C 3 192 ? 200.714 236.877 234.158 1 121.73 ? 192 E 1
+4668 C C . GLU C 3 192 ? 201.645 236.405 235.266 1 121.73 ? 192 E 1
+4669 O O . GLU C 3 192 ? 202.693 235.805 235.008 1 121.73 ? 192 E 1
+4670 C CB . GLU C 3 192 ? 199.972 235.679 233.554 1 121.73 ? 192 E 1
+4671 C CG . GLU C 3 192 ? 199.154 234.889 234.561 1 121.73 ? 192 E 1
+4672 C CD . GLU C 3 192 ? 198.032 235.705 235.175 1 121.73 ? 192 E 1
+4673 O OE1 . GLU C 3 192 ? 197.563 236.664 234.525 1 121.73 ? 192 E 1
+4674 O OE2 . GLU C 3 192 ? 197.623 235.39 236.312 1 121.73 ? 192 E 1
+4675 N N . ASP C 3 193 ? 201.251 236.686 236.505 1 122.45 ? 193 E 1
+4676 C CA . ASP C 3 193 ? 202.029 236.272 237.662 1 122.45 ? 193 E 1
+4677 C C . ASP C 3 193 ? 202.003 234.756 237.804 1 122.45 ? 193 E 1
+4678 O O . ASP C 3 193 ? 200.964 234.117 237.613 1 122.45 ? 193 E 1
+4679 C CB . ASP C 3 193 ? 201.489 236.927 238.933 1 122.45 ? 193 E 1
+4680 N N . LYS C 3 194 ? 203.162 234.183 238.137 1 114.79 ? 194 E 1
+4681 C CA . LYS C 3 194 ? 203.258 232.733 238.269 1 114.79 ? 194 E 1
+4682 C C . LYS C 3 194 ? 202.404 232.22 239.422 1 114.79 ? 194 E 1
+4683 O O . LYS C 3 194 ? 201.765 231.168 239.31 1 114.79 ? 194 E 1
+4684 C CB . LYS C 3 194 ? 204.717 232.319 238.459 1 114.79 ? 194 E 1
+4685 C CG . LYS C 3 194 ? 205.457 233.138 239.503 1 114.79 ? 194 E 1
+4686 C CD . LYS C 3 194 ? 206.898 232.678 239.644 1 114.79 ? 194 E 1
+4687 C CE . LYS C 3 194 ? 207.637 233.498 240.688 1 114.79 ? 194 E 1
+4688 N NZ . LYS C 3 194 ? 207.771 234.925 240.284 1 114.79 ? 194 E 1
+4689 N N . THR C 3 195 ? 202.377 232.948 240.533 1 110.11 ? 195 E 1
+4690 C CA . THR C 3 195 ? 201.683 232.521 241.739 1 110.11 ? 195 E 1
+4691 C C . THR C 3 195 ? 200.428 233.358 241.937 1 110.11 ? 195 E 1
+4692 O O . THR C 3 195 ? 200.474 234.589 241.837 1 110.11 ? 195 E 1
+4693 C CB . THR C 3 195 ? 202.592 232.639 242.964 1 110.11 ? 195 E 1
+4694 O OG1 . THR C 3 195 ? 202.719 234.017 243.335 1 110.11 ? 195 E 1
+4695 C CG2 . THR C 3 195 ? 203.971 232.075 242.656 1 110.11 ? 195 E 1
+4696 N N . VAL C 3 196 ? 199.312 232.688 242.216 1 109.14 ? 196 E 1
+4697 C CA . VAL C 3 196 ? 198.037 233.338 242.492 1 109.14 ? 196 E 1
+4698 C C . VAL C 3 196 ? 197.54 232.864 243.849 1 109.14 ? 196 E 1
+4699 O O . VAL C 3 196 ? 197.501 231.658 244.121 1 109.14 ? 196 E 1
+4700 C CB . VAL C 3 196 ? 196.994 233.046 241.393 1 109.14 ? 196 E 1
+4701 C CG1 . VAL C 3 196 ? 195.638 233.609 241.785 1 109.14 ? 196 E 1
+4702 C CG2 . VAL C 3 196 ? 197.45 233.625 240.064 1 109.14 ? 196 E 1
+4703 N N . ALA C 3 197 ? 197.158 233.814 244.697 1 113.23 ? 197 E 1
+4704 C CA . ALA C 3 197 ? 196.729 233.534 246.057 1 113.23 ? 197 E 1
+4705 C C . ALA C 3 197 ? 195.209 233.558 246.157 1 113.23 ? 197 E 1
+4706 O O . ALA C 3 197 ? 194.534 234.331 245.473 1 113.23 ? 197 E 1
+4707 C CB . ALA C 3 197 ? 197.327 234.544 247.042 1 113.23 ? 197 E 1
+4708 N N . TYR C 3 198 ? 194.681 232.695 247.021 1 113.72 ? 198 E 1
+4709 C CA . TYR C 3 198 ? 193.248 232.635 247.271 1 113.72 ? 198 E 1
+4710 C C . TYR C 3 198 ? 192.838 233.792 248.173 1 113.72 ? 198 E 1
+4711 O O . TYR C 3 198 ? 193.446 234.016 249.224 1 113.72 ? 198 E 1
+4712 C CB . TYR C 3 198 ? 192.887 231.296 247.911 1 113.72 ? 198 E 1
+4713 C CG . TYR C 3 198 ? 191.437 231.144 248.311 1 113.72 ? 198 E 1
+4714 C CD1 . TYR C 3 198 ? 190.464 230.849 247.365 1 113.72 ? 198 E 1
+4715 C CD2 . TYR C 3 198 ? 191.045 231.273 249.636 1 113.72 ? 198 E 1
+4716 C CE1 . TYR C 3 198 ? 189.139 230.7 247.727 1 113.72 ? 198 E 1
+4717 C CE2 . TYR C 3 198 ? 189.723 231.125 250.007 1 113.72 ? 198 E 1
+4718 C CZ . TYR C 3 198 ? 188.775 230.838 249.049 1 113.72 ? 198 E 1
+4719 O OH . TYR C 3 198 ? 187.457 230.69 249.415 1 113.72 ? 198 E 1
+4720 N N . THR C 3 199 ? 191.802 234.531 247.761 1 114.79 ? 199 E 1
+4721 C CA . THR C 3 199 ? 191.363 235.744 248.459 1 114.79 ? 199 E 1
+4722 C C . THR C 3 199 ? 189.864 235.636 248.734 1 114.79 ? 199 E 1
+4723 O O . THR C 3 199 ? 189.035 235.977 247.887 1 114.79 ? 199 E 1
+4724 C CB . THR C 3 199 ? 191.7 236.995 247.645 1 114.79 ? 199 E 1
+4725 O OG1 . THR C 3 199 ? 191.282 236.812 246.287 1 114.79 ? 199 E 1
+4726 C CG2 . THR C 3 199 ? 193.198 237.266 247.679 1 114.79 ? 199 E 1
+4727 N N . GLU C 3 200 ? 189.521 235.162 249.93 1 116.47 ? 200 E 1
+4728 C CA . GLU C 3 200 ? 188.138 235.096 250.376 1 116.47 ? 200 E 1
+4729 C C . GLU C 3 200 ? 188.106 235.056 251.896 1 116.47 ? 200 E 1
+4730 O O . GLU C 3 200 ? 189.112 234.77 252.552 1 116.47 ? 200 E 1
+4731 C CB . GLU C 3 200 ? 187.407 233.879 249.795 1 116.47 ? 200 E 1
+4732 N N . GLN C 3 201 ? 186.931 235.355 252.453 1 116.62 ? 201 E 1
+4733 C CA . GLN C 3 201 ? 186.779 235.373 253.905 1 116.62 ? 201 E 1
+4734 C C . GLN C 3 201 ? 186.974 233.982 254.497 1 116.62 ? 201 E 1
+4735 O O . GLN C 3 201 ? 187.657 233.818 255.516 1 116.62 ? 201 E 1
+4736 C CB . GLN C 3 201 ? 185.406 235.932 254.28 1 116.62 ? 201 E 1
+4737 N N . LYS C 3 202 ? 186.382 232.967 253.873 1 112.84 ? 202 E 1
+4738 C CA . LYS C 3 202 ? 186.466 231.596 254.354 1 112.84 ? 202 E 1
+4739 C C . LYS C 3 202 ? 186.747 230.658 253.192 1 112.84 ? 202 E 1
+4740 O O . LYS C 3 202 ? 186.179 230.811 252.106 1 112.84 ? 202 E 1
+4741 C CB . LYS C 3 202 ? 185.172 231.176 255.064 1 112.84 ? 202 E 1
+4742 N N . MET C 3 203 ? 187.627 229.687 253.426 1 109.89 ? 203 E 1
+4743 C CA . MET C 3 203 ? 187.938 228.69 252.411 1 109.89 ? 203 E 1
+4744 C C . MET C 3 203 ? 186.829 227.645 252.361 1 109.89 ? 203 E 1
+4745 O O . MET C 3 203 ? 186.6 226.924 253.337 1 109.89 ? 203 E 1
+4746 C CB . MET C 3 203 ? 189.283 228.034 252.707 1 109.89 ? 203 E 1
+4747 N N . THR C 3 204 ? 186.143 227.566 251.225 1 107.76 ? 204 E 1
+4748 C CA . THR C 3 204 ? 185.055 226.623 251.02 1 107.76 ? 204 E 1
+4749 C C . THR C 3 204 ? 185.426 225.678 249.886 1 107.76 ? 204 E 1
+4750 O O . THR C 3 204 ? 186.034 226.096 248.896 1 107.76 ? 204 E 1
+4751 C CB . THR C 3 204 ? 183.743 227.353 250.698 1 107.76 ? 204 E 1
+4752 O OG1 . THR C 3 204 ? 183.449 228.29 251.741 1 107.76 ? 204 E 1
+4753 C CG2 . THR C 3 204 ? 182.589 226.367 250.579 1 107.76 ? 204 E 1
+4754 N N . SER C 3 205 ? 185.067 224.4 250.043 1 108.19 ? 205 E 1
+4755 C CA . SER C 3 205 ? 185.421 223.394 249.045 1 108.19 ? 205 E 1
+4756 C C . SER C 3 205 ? 184.899 223.775 247.665 1 108.19 ? 205 E 1
+4757 O O . SER C 3 205 ? 185.635 223.728 246.674 1 108.19 ? 205 E 1
+4758 C CB . SER C 3 205 ? 184.881 222.027 249.468 1 108.19 ? 205 E 1
+4759 N N . GLY C 3 206 ? 183.627 224.17 247.585 1 108.3 ? 206 E 1
+4760 C CA . GLY C 3 206 ? 183.091 224.63 246.315 1 108.3 ? 206 E 1
+4761 C C . GLY C 3 206 ? 183.752 225.91 245.839 1 108.3 ? 206 E 1
+4762 O O . GLY C 3 206 ? 184.082 226.053 244.658 1 108.3 ? 206 E 1
+4763 N N . LYS C 3 207 ? 183.96 226.857 246.757 1 109.94 ? 207 E 1
+4764 C CA . LYS C 3 207 ? 184.602 228.117 246.394 1 109.94 ? 207 E 1
+4765 C C . LYS C 3 207 ? 186.04 227.892 245.945 1 109.94 ? 207 E 1
+4766 O O . LYS C 3 207 ? 186.491 228.478 244.954 1 109.94 ? 207 E 1
+4767 C CB . LYS C 3 207 ? 184.549 229.09 247.573 1 109.94 ? 207 E 1
+4768 N N . ILE C 3 208 ? 186.777 227.041 246.662 1 108.7 ? 208 E 1
+4769 C CA . ILE C 3 208 ? 188.16 226.753 246.285 1 108.7 ? 208 E 1
+4770 C C . ILE C 3 208 ? 188.203 226.04 244.939 1 108.7 ? 208 E 1
+4771 O O . ILE C 3 208 ? 189.065 226.318 244.096 1 108.7 ? 208 E 1
+4772 C CB . ILE C 3 208 ? 188.858 225.93 247.382 1 108.7 ? 208 E 1
+4773 N N . LYS C 3 209 ? 187.279 225.101 244.724 1 110.01 ? 209 E 1
+4774 C CA . LYS C 3 209 ? 187.223 224.393 243.45 1 110.01 ? 209 E 1
+4775 C C . LYS C 3 209 ? 186.947 225.352 242.3 1 110.01 ? 209 E 1
+4776 O O . LYS C 3 209 ? 187.59 225.269 241.246 1 110.01 ? 209 E 1
+4777 C CB . LYS C 3 209 ? 186.156 223.3 243.512 1 110.01 ? 209 E 1
+4778 C CG . LYS C 3 209 ? 186.048 222.452 242.258 1 110.01 ? 209 E 1
+4779 C CD . LYS C 3 209 ? 184.998 221.366 242.431 1 110.01 ? 209 E 1
+4780 C CE . LYS C 3 209 ? 184.847 220.532 241.17 1 110.01 ? 209 E 1
+4781 N NZ . LYS C 3 209 ? 183.825 219.462 241.337 1 110.01 ? 209 E 1
+4782 N N . LYS C 3 210 ? 186 226.274 242.486 1 109.38 ? 210 E 1
+4783 C CA . LYS C 3 210 ? 185.711 227.264 241.453 1 109.38 ? 210 E 1
+4784 C C . LYS C 3 210 ? 186.912 228.171 241.211 1 109.38 ? 210 E 1
+4785 O O . LYS C 3 210 ? 187.233 228.504 240.063 1 109.38 ? 210 E 1
+4786 C CB . LYS C 3 210 ? 184.482 228.085 241.845 1 109.38 ? 210 E 1
+4787 N N . PHE C 3 211 ? 187.588 228.581 242.288 1 110.19 ? 211 E 1
+4788 C CA . PHE C 3 211 ? 188.769 229.428 242.156 1 110.19 ? 211 E 1
+4789 C C . PHE C 3 211 ? 189.853 228.737 241.341 1 110.19 ? 211 E 1
+4790 O O . PHE C 3 211 ? 190.465 229.349 240.458 1 110.19 ? 211 E 1
+4791 C CB . PHE C 3 211 ? 189.293 229.799 243.545 1 110.19 ? 211 E 1
+4792 C CG . PHE C 3 211 ? 190.595 230.549 243.529 1 110.19 ? 211 E 1
+4793 C CD1 . PHE C 3 211 ? 190.621 231.915 243.311 1 110.19 ? 211 E 1
+4794 C CD2 . PHE C 3 211 ? 191.793 229.887 243.746 1 110.19 ? 211 E 1
+4795 C CE1 . PHE C 3 211 ? 191.819 232.606 243.3 1 110.19 ? 211 E 1
+4796 C CE2 . PHE C 3 211 ? 192.992 230.571 243.736 1 110.19 ? 211 E 1
+4797 C CZ . PHE C 3 211 ? 193.005 231.933 243.513 1 110.19 ? 211 E 1
+4798 N N . ILE C 3 212 ? 190.102 227.458 241.622 1 108.1 ? 212 E 1
+4799 C CA . ILE C 3 212 ? 191.103 226.72 240.861 1 108.1 ? 212 E 1
+4800 C C . ILE C 3 212 ? 190.664 226.56 239.412 1 108.1 ? 212 E 1
+4801 O O . ILE C 3 212 ? 191.464 226.734 238.487 1 108.1 ? 212 E 1
+4802 C CB . ILE C 3 212 ? 191.392 225.365 241.526 1 108.1 ? 212 E 1
+4803 C CG1 . ILE C 3 212 ? 191.88 225.596 242.952 1 108.1 ? 212 E 1
+4804 C CG2 . ILE C 3 212 ? 192.421 224.582 240.725 1 108.1 ? 212 E 1
+4805 C CD1 . ILE C 3 212 ? 192.984 226.627 243.043 1 108.1 ? 212 E 1
+4806 N N . GLN C 3 213 ? 189.386 226.244 239.189 1 103.48 ? 213 E 1
+4807 C CA . GLN C 3 213 ? 188.897 226.077 237.826 1 103.48 ? 213 E 1
+4808 C C . GLN C 3 213 ? 189.047 227.358 237.017 1 103.48 ? 213 E 1
+4809 O O . GLN C 3 213 ? 189.34 227.303 235.818 1 103.48 ? 213 E 1
+4810 C CB . GLN C 3 213 ? 187.437 225.626 237.846 1 103.48 ? 213 E 1
+4811 C CG . GLN C 3 213 ? 186.849 225.353 236.474 1 103.48 ? 213 E 1
+4812 C CD . GLN C 3 213 ? 185.567 224.549 236.544 1 103.48 ? 213 E 1
+4813 O OE1 . GLN C 3 213 ? 184.556 224.917 235.947 1 103.48 ? 213 E 1
+4814 N NE2 . GLN C 3 213 ? 185.601 223.443 237.279 1 103.48 ? 213 E 1
+4815 N N . GLU C 3 214 ? 188.858 228.516 237.649 1 107.4 ? 214 E 1
+4816 C CA . GLU C 3 214 ? 188.971 229.789 236.951 1 107.4 ? 214 E 1
+4817 C C . GLU C 3 214 ? 190.378 230.375 236.97 1 107.4 ? 214 E 1
+4818 O O . GLU C 3 214 ? 190.613 231.386 236.301 1 107.4 ? 214 E 1
+4819 C CB . GLU C 3 214 ? 187.996 230.816 237.544 1 107.4 ? 214 E 1
+4820 C CG . GLU C 3 214 ? 186.531 230.491 237.314 1 107.4 ? 214 E 1
+4821 C CD . GLU C 3 214 ? 185.596 231.486 237.975 1 107.4 ? 214 E 1
+4822 O OE1 . GLU C 3 214 ? 186.073 232.323 238.768 1 107.4 ? 214 E 1
+4823 O OE2 . GLU C 3 214 ? 184.38 231.433 237.696 1 107.4 ? 214 E 1
+4824 N N . ASN C 3 215 ? 191.319 229.779 237.709 1 106.82 ? 215 E 1
+4825 C CA . ASN C 3 215 ? 192.65 230.364 237.808 1 106.82 ? 215 E 1
+4826 C C . ASN C 3 215 ? 193.803 229.411 237.518 1 106.82 ? 215 E 1
+4827 O O . ASN C 3 215 ? 194.937 229.883 237.386 1 106.82 ? 215 E 1
+4828 C CB . ASN C 3 215 ? 192.855 230.98 239.201 1 106.82 ? 215 E 1
+4829 C CG . ASN C 3 215 ? 191.966 232.181 239.44 1 106.82 ? 215 E 1
+4830 O OD1 . ASN C 3 215 ? 191.072 232.148 240.283 1 106.82 ? 215 E 1
+4831 N ND2 . ASN C 3 215 ? 192.209 233.253 238.696 1 106.82 ? 215 E 1
+4832 N N . ILE C 3 216 ? 193.57 228.101 237.416 1 101.96 ? 216 E 1
+4833 C CA . ILE C 3 216 ? 194.683 227.196 237.141 1 101.96 ? 216 E 1
+4834 C C . ILE C 3 216 ? 195.213 227.363 235.724 1 101.96 ? 216 E 1
+4835 O O . ILE C 3 216 ? 196.414 227.174 235.491 1 101.96 ? 216 E 1
+4836 C CB . ILE C 3 216 ? 194.291 225.728 237.391 1 101.96 ? 216 E 1
+4837 C CG1 . ILE C 3 216 ? 195.533 224.836 237.349 1 101.96 ? 216 E 1
+4838 C CG2 . ILE C 3 216 ? 193.262 225.251 236.374 1 101.96 ? 216 E 1
+4839 C CD1 . ILE C 3 216 ? 195.309 223.447 237.891 1 101.96 ? 216 E 1
+4840 N N . PHE C 3 217 ? 194.357 227.728 234.773 1 99.82 ? 217 E 1
+4841 C CA . PHE C 3 217 ? 194.771 227.859 233.384 1 99.82 ? 217 E 1
+4842 C C . PHE C 3 217 ? 195.403 229.213 233.094 1 99.82 ? 217 E 1
+4843 O O . PHE C 3 217 ? 196.255 229.32 232.206 1 99.82 ? 217 E 1
+4844 C CB . PHE C 3 217 ? 193.571 227.629 232.463 1 99.82 ? 217 E 1
+4845 C CG . PHE C 3 217 ? 192.789 226.393 232.795 1 99.82 ? 217 E 1
+4846 C CD1 . PHE C 3 217 ? 193.371 225.142 232.689 1 99.82 ? 217 E 1
+4847 C CD2 . PHE C 3 217 ? 191.473 226.483 233.214 1 99.82 ? 217 E 1
+4848 C CE1 . PHE C 3 217 ? 192.655 224.002 232.997 1 99.82 ? 217 E 1
+4849 C CE2 . PHE C 3 217 ? 190.751 225.347 233.521 1 99.82 ? 217 E 1
+4850 C CZ . PHE C 3 217 ? 191.343 224.105 233.412 1 99.82 ? 217 E 1
+4851 N N . GLY C 3 218 ? 195.016 230.247 233.835 1 101.97 ? 218 E 1
+4852 C CA . GLY C 3 218 ? 195.536 231.575 233.583 1 101.97 ? 218 E 1
+4853 C C . GLY C 3 218 ? 195.148 232.084 232.212 1 101.97 ? 218 E 1
+4854 O O . GLY C 3 218 ? 193.981 232.405 231.967 1 101.97 ? 218 E 1
+4855 N N . ILE C 3 219 ? 196.12 232.162 231.306 1 93.34 ? 219 E 1
+4856 C CA . ILE C 3 219 ? 195.886 232.611 229.945 1 93.34 ? 219 E 1
+4857 C C . ILE C 3 219 ? 196.306 231.563 228.922 1 93.34 ? 219 E 1
+4858 O O . ILE C 3 219 ? 195.52 231.204 228.042 1 93.34 ? 219 E 1
+4859 C CB . ILE C 3 219 ? 196.602 233.954 229.681 1 93.34 ? 219 E 1
+4860 C CG1 . ILE C 3 219 ? 196.038 235.045 230.591 1 93.34 ? 219 E 1
+4861 C CG2 . ILE C 3 219 ? 196.47 234.349 228.221 1 93.34 ? 219 E 1
+4862 C CD1 . ILE C 3 219 ? 194.564 235.312 230.377 1 93.34 ? 219 E 1
+4863 N N . CYS C 3 220 ? 197.533 231.055 229.022 1 87.94 ? 220 E 1
+4864 C CA . CYS C 3 220 ? 198.091 230.152 228.017 1 87.94 ? 220 E 1
+4865 C C . CYS C 3 220 ? 198.651 228.904 228.689 1 87.94 ? 220 E 1
+4866 O O . CYS C 3 220 ? 199.848 228.85 229.015 1 87.94 ? 220 E 1
+4867 C CB . CYS C 3 220 ? 199.166 230.857 227.194 1 87.94 ? 220 E 1
+4868 S SG . CYS C 3 220 ? 199.883 229.857 225.875 1 87.94 ? 220 E 1
+4869 N N . PRO C 3 221 ? 197.823 227.889 228.917 1 78.37 ? 221 E 1
+4870 C CA . PRO C 3 221 ? 198.311 226.629 229.482 1 78.37 ? 221 E 1
+4871 C C . PRO C 3 221 ? 198.89 225.712 228.414 1 78.37 ? 221 E 1
+4872 O O . PRO C 3 221 ? 198.571 225.807 227.228 1 78.37 ? 221 E 1
+4873 C CB . PRO C 3 221 ? 197.044 226.001 230.087 1 78.37 ? 221 E 1
+4874 C CG . PRO C 3 221 ? 195.999 227.075 230.032 1 78.37 ? 221 E 1
+4875 C CD . PRO C 3 221 ? 196.357 227.916 228.865 1 78.37 ? 221 E 1
+4876 N N . HIS C 3 222 ? 199.749 224.802 228.868 1 79.39 ? 222 E 1
+4877 C CA . HIS C 3 222 ? 200.292 223.755 228.005 1 79.39 ? 222 E 1
+4878 C C . HIS C 3 222 ? 199.512 222.478 228.284 1 79.39 ? 222 E 1
+4879 O O . HIS C 3 222 ? 199.832 221.711 229.192 1 79.39 ? 222 E 1
+4880 C CB . HIS C 3 222 ? 201.784 223.568 228.239 1 79.39 ? 222 E 1
+4881 C CG . HIS C 3 222 ? 202.32 222.279 227.701 1 79.39 ? 222 E 1
+4882 N ND1 . HIS C 3 222 ? 203.087 221.418 228.455 1 79.39 ? 222 E 1
+4883 C CD2 . HIS C 3 222 ? 202.19 221.698 226.484 1 79.39 ? 222 E 1
+4884 C CE1 . HIS C 3 222 ? 203.411 220.366 227.725 1 79.39 ? 222 E 1
+4885 N NE2 . HIS C 3 222 ? 202.879 220.511 226.525 1 79.39 ? 222 E 1
+4886 N N . MET C 3 223 ? 198.464 222.253 227.498 1 84.82 ? 223 E 1
+4887 C CA . MET C 3 223 ? 197.601 221.088 227.649 1 84.82 ? 223 E 1
+4888 C C . MET C 3 223 ? 197.977 220.065 226.584 1 84.82 ? 223 E 1
+4889 O O . MET C 3 223 ? 197.655 220.239 225.404 1 84.82 ? 223 E 1
+4890 C CB . MET C 3 223 ? 196.131 221.489 227.544 1 84.82 ? 223 E 1
+4891 C CG . MET C 3 223 ? 195.162 220.325 227.484 1 84.82 ? 223 E 1
+4892 S SD . MET C 3 223 ? 194.46 220.096 225.842 1 84.82 ? 223 E 1
+4893 C CE . MET C 3 223 ? 193.614 221.658 225.619 1 84.82 ? 223 E 1
+4894 N N . THR C 3 224 ? 198.665 219.004 227 1 89.74 ? 224 E 1
+4895 C CA . THR C 3 224 ? 199.095 217.931 226.104 1 89.74 ? 224 E 1
+4896 C C . THR C 3 224 ? 198.771 216.6 226.776 1 89.74 ? 224 E 1
+4897 O O . THR C 3 224 ? 199.585 216.075 227.542 1 89.74 ? 224 E 1
+4898 C CB . THR C 3 224 ? 200.582 218.042 225.782 1 89.74 ? 224 E 1
+4899 N N . GLU C 3 225 ? 197.565 216.089 226.512 1 92.27 ? 225 E 1
+4900 C CA . GLU C 3 225 ? 197.082 214.799 227.003 1 92.27 ? 225 E 1
+4901 C C . GLU C 3 225 ? 196.798 214.865 228.503 1 92.27 ? 225 E 1
+4902 O O . GLU C 3 225 ? 196.226 213.934 229.079 1 92.27 ? 225 E 1
+4903 C CB . GLU C 3 225 ? 198.082 213.683 226.667 1 92.27 ? 225 E 1
+4904 C CG . GLU C 3 225 ? 197.615 212.272 226.994 1 92.27 ? 225 E 1
+4905 C CD . GLU C 3 225 ? 196.339 211.893 226.264 1 92.27 ? 225 E 1
+4906 O OE1 . GLU C 3 225 ? 196.122 212.392 225.14 1 92.27 ? 225 E 1
+4907 O OE2 . GLU C 3 225 ? 195.552 211.097 226.817 1 92.27 ? 225 E 1
+4908 N N . ASP C 3 226 ? 197.16 215.977 229.134 1 91.67 ? 226 E 1
+4909 C CA . ASP C 3 226 ? 196.806 216.217 230.524 1 91.67 ? 226 E 1
+4910 C C . ASP C 3 226 ? 195.969 217.485 230.63 1 91.67 ? 226 E 1
+4911 O O . ASP C 3 226 ? 196.161 218.445 229.877 1 91.67 ? 226 E 1
+4912 C CB . ASP C 3 226 ? 198.06 216.322 231.394 1 91.67 ? 226 E 1
+4913 C CG . ASP C 3 226 ? 198.761 214.991 231.576 1 91.67 ? 226 E 1
+4914 O OD1 . ASP C 3 226 ? 198.14 213.95 231.277 1 91.67 ? 226 E 1
+4915 O OD2 . ASP C 3 226 ? 199.934 214.983 232.002 1 91.67 ? 226 E 1
+4916 N N . ASN C 3 227 ? 195.024 217.476 231.57 1 93.58 ? 227 E 1
+4917 C CA . ASN C 3 227 ? 193.952 218.463 231.658 1 93.58 ? 227 E 1
+4918 C C . ASN C 3 227 ? 193.145 218.525 230.37 1 93.58 ? 227 E 1
+4919 O O . ASN C 3 227 ? 192.648 219.599 230.007 1 93.58 ? 227 E 1
+4920 C CB . ASN C 3 227 ? 194.48 219.862 232.001 1 93.58 ? 227 E 1
+4921 C CG . ASN C 3 227 ? 195.051 219.943 233.401 1 93.58 ? 227 E 1
+4922 O OD1 . ASN C 3 227 ? 194.754 219.108 234.254 1 93.58 ? 227 E 1
+4923 N ND2 . ASN C 3 227 ? 195.877 220.954 233.645 1 93.58 ? 227 E 1
+4924 N N . LYS C 3 228 ? 193.006 217.397 229.669 1 92.5 ? 228 E 1
+4925 C CA . LYS C 3 228 ? 192.423 217.395 228.331 1 92.5 ? 228 E 1
+4926 C C . LYS C 3 228 ? 190.977 217.874 228.351 1 92.5 ? 228 E 1
+4927 O O . LYS C 3 228 ? 190.57 218.696 227.524 1 92.5 ? 228 E 1
+4928 C CB . LYS C 3 228 ? 192.524 215.989 227.737 1 92.5 ? 228 E 1
+4929 C CG . LYS C 3 228 ? 192.109 215.877 226.282 1 92.5 ? 228 E 1
+4930 C CD . LYS C 3 228 ? 192.518 214.525 225.715 1 92.5 ? 228 E 1
+4931 C CE . LYS C 3 228 ? 192.102 214.377 224.262 1 92.5 ? 228 E 1
+4932 N NZ . LYS C 3 228 ? 192.624 213.115 223.667 1 92.5 ? 228 E 1
+4933 N N . ASP C 3 229 ? 190.186 217.371 229.295 1 95.14 ? 229 E 1
+4934 C CA . ASP C 3 229 ? 188.791 217.769 229.423 1 95.14 ? 229 E 1
+4935 C C . ASP C 3 229 ? 188.634 219.121 230.107 1 95.14 ? 229 E 1
+4936 O O . ASP C 3 229 ? 187.698 219.862 229.79 1 95.14 ? 229 E 1
+4937 C CB . ASP C 3 229 ? 188.018 216.698 230.208 1 95.14 ? 229 E 1
+4938 C CG . ASP C 3 229 ? 187.812 215.404 229.426 1 95.14 ? 229 E 1
+4939 O OD1 . ASP C 3 229 ? 187.998 215.38 228.193 1 95.14 ? 229 E 1
+4940 O OD2 . ASP C 3 229 ? 187.458 214.39 230.064 1 95.14 ? 229 E 1
+4941 N N . LEU C 3 230 ? 189.554 219.476 231.007 1 94.33 ? 230 E 1
+4942 C CA . LEU C 3 230 ? 189.39 220.68 231.814 1 94.33 ? 230 E 1
+4943 C C . LEU C 3 230 ? 189.428 221.957 230.984 1 94.33 ? 230 E 1
+4944 O O . LEU C 3 230 ? 188.929 222.991 231.44 1 94.33 ? 230 E 1
+4945 C CB . LEU C 3 230 ? 190.466 220.733 232.9 1 94.33 ? 230 E 1
+4946 C CG . LEU C 3 230 ? 190.154 220.037 234.229 1 94.33 ? 230 E 1
+4947 C CD1 . LEU C 3 230 ? 188.918 220.648 234.873 1 94.33 ? 230 E 1
+4948 C CD2 . LEU C 3 230 ? 189.988 218.533 234.056 1 94.33 ? 230 E 1
+4949 N N . ILE C 3 231 ? 190.002 221.917 229.787 1 87.99 ? 231 E 1
+4950 C CA . ILE C 3 231 ? 190.05 223.08 228.906 1 87.99 ? 231 E 1
+4951 C C . ILE C 3 231 ? 189.057 222.955 227.759 1 87.99 ? 231 E 1
+4952 O O . ILE C 3 231 ? 188.293 223.881 227.489 1 87.99 ? 231 E 1
+4953 C CB . ILE C 3 231 ? 191.487 223.3 228.383 1 87.99 ? 231 E 1
+4954 C CG1 . ILE C 3 231 ? 192.414 223.676 229.538 1 87.99 ? 231 E 1
+4955 C CG2 . ILE C 3 231 ? 191.506 224.378 227.311 1 87.99 ? 231 E 1
+4956 C CD1 . ILE C 3 231 ? 193.87 223.73 229.159 1 87.99 ? 231 E 1
+4957 N N . GLN C 3 232 ? 189.057 221.817 227.07 1 88.96 ? 232 E 1
+4958 C CA . GLN C 3 232 ? 188.115 221.614 225.979 1 88.96 ? 232 E 1
+4959 C C . GLN C 3 232 ? 186.688 221.556 226.512 1 88.96 ? 232 E 1
+4960 O O . GLN C 3 232 ? 186.399 220.861 227.489 1 88.96 ? 232 E 1
+4961 C CB . GLN C 3 232 ? 188.452 220.332 225.217 1 88.96 ? 232 E 1
+4962 C CG . GLN C 3 232 ? 189.77 220.393 224.461 1 88.96 ? 232 E 1
+4963 C CD . GLN C 3 232 ? 190.113 219.085 223.775 1 88.96 ? 232 E 1
+4964 O OE1 . GLN C 3 232 ? 189.664 218.017 224.189 1 88.96 ? 232 E 1
+4965 N NE2 . GLN C 3 232 ? 190.914 219.163 222.718 1 88.96 ? 232 E 1
+4966 N N . GLY C 3 233 ? 185.794 222.293 225.859 1 80.63 ? 233 E 1
+4967 C CA . GLY C 3 233 ? 184.413 222.362 226.293 1 80.63 ? 233 E 1
+4968 C C . GLY C 3 233 ? 183.874 223.777 226.331 1 80.63 ? 233 E 1
+4969 O O . GLY C 3 233 ? 182.661 223.986 226.432 1 80.63 ? 233 E 1
+4970 N N . LYS C 3 234 ? 184.767 224.757 226.254 1 79.09 ? 234 E 1
+4971 C CA . LYS C 3 234 ? 184.412 226.167 226.25 1 79.09 ? 234 E 1
+4972 C C . LYS C 3 234 ? 184.883 226.81 224.948 1 79.09 ? 234 E 1
+4973 O O . LYS C 3 234 ? 185.476 226.16 224.083 1 79.09 ? 234 E 1
+4974 C CB . LYS C 3 234 ? 185.015 226.873 227.467 1 79.09 ? 234 E 1
+4975 C CG . LYS C 3 234 ? 184.746 226.166 228.787 1 79.09 ? 234 E 1
+4976 C CD . LYS C 3 234 ? 185.735 226.595 229.861 1 79.09 ? 234 E 1
+4977 C CE . LYS C 3 234 ? 185.411 227.981 230.395 1 79.09 ? 234 E 1
+4978 N NZ . LYS C 3 234 ? 184.231 227.97 231.3 1 79.09 ? 234 E 1
+4979 N N . ASP C 3 235 ? 184.613 228.106 224.812 1 75.11 ? 235 E 1
+4980 C CA . ASP C 3 235 ? 185.049 228.867 223.643 1 75.11 ? 235 E 1
+4981 C C . ASP C 3 235 ? 186.556 229.056 223.75 1 75.11 ? 235 E 1
+4982 O O . ASP C 3 235 ? 187.047 229.976 224.407 1 75.11 ? 235 E 1
+4983 C CB . ASP C 3 235 ? 184.317 230.201 223.56 1 75.11 ? 235 E 1
+4984 N N . LEU C 3 236 ? 187.3 228.174 223.095 1 70.02 ? 236 E 1
+4985 C CA . LEU C 3 236 ? 188.743 228.095 223.258 1 70.02 ? 236 E 1
+4986 C C . LEU C 3 236 ? 189.468 228.546 221.996 1 70.02 ? 236 E 1
+4987 O O . LEU C 3 236 ? 188.862 228.995 221.021 1 70.02 ? 236 E 1
+4988 C CB . LEU C 3 236 ? 189.157 226.671 223.648 1 70.02 ? 236 E 1
+4989 C CG . LEU C 3 236 ? 188.749 225.525 222.718 1 70.02 ? 236 E 1
+4990 C CD1 . LEU C 3 236 ? 189.709 225.33 221.558 1 70.02 ? 236 E 1
+4991 C CD2 . LEU C 3 236 ? 188.611 224.238 223.512 1 70.02 ? 236 E 1
+4992 N N . LEU C 3 237 ? 190.794 228.421 222.039 1 63.87 ? 237 E 1
+4993 C CA . LEU C 3 237 ? 191.671 228.786 220.926 1 63.87 ? 237 E 1
+4994 C C . LEU C 3 237 ? 192.958 227.986 221.098 1 63.87 ? 237 E 1
+4995 O O . LEU C 3 237 ? 193.761 228.29 221.983 1 63.87 ? 237 E 1
+4996 C CB . LEU C 3 237 ? 191.951 230.285 220.909 1 63.87 ? 237 E 1
+4997 C CG . LEU C 3 237 ? 192.71 230.865 219.713 1 63.87 ? 237 E 1
+4998 C CD1 . LEU C 3 237 ? 192.248 232.282 219.435 1 63.87 ? 237 E 1
+4999 C CD2 . LEU C 3 237 ? 194.212 230.834 219.934 1 63.87 ? 237 E 1
+5000 N N . ILE C 3 238 ? 193.164 226.986 220.25 1 67.35 ? 238 E 1
+5001 C CA . ILE C 3 238 ? 194.322 226.11 220.38 1 67.35 ? 238 E 1
+5002 C C . ILE C 3 238 ? 195.34 226.439 219.298 1 67.35 ? 238 E 1
+5003 O O . ILE C 3 238 ? 194.999 226.545 218.112 1 67.35 ? 238 E 1
+5004 C CB . ILE C 3 238 ? 193.913 224.63 220.312 1 67.35 ? 238 E 1
+5005 C CG1 . ILE C 3 238 ? 193.02 224.266 221.494 1 67.35 ? 238 E 1
+5006 C CG2 . ILE C 3 238 ? 195.144 223.749 220.34 1 67.35 ? 238 E 1
+5007 C CD1 . ILE C 3 238 ? 192.43 222.878 221.399 1 67.35 ? 238 E 1
+5008 N N . ALA C 3 239 ? 196.593 226.599 219.71 1 74.63 ? 239 E 1
+5009 C CA . ALA C 3 239 ? 197.719 226.718 218.795 1 74.63 ? 239 E 1
+5010 C C . ALA C 3 239 ? 198.515 225.419 218.833 1 74.63 ? 239 E 1
+5011 O O . ALA C 3 239 ? 199.149 225.104 219.844 1 74.63 ? 239 E 1
+5012 C CB . ALA C 3 239 ? 198.603 227.908 219.167 1 74.63 ? 239 E 1
+5013 N N . TYR C 3 240 ? 198.47 224.665 217.739 1 84.88 ? 240 E 1
+5014 C CA . TYR C 3 240 ? 199.206 223.416 217.609 1 84.88 ? 240 E 1
+5015 C C . TYR C 3 240 ? 200.569 223.691 216.99 1 84.88 ? 240 E 1
+5016 O O . TYR C 3 240 ? 200.666 224.402 215.982 1 84.88 ? 240 E 1
+5017 C CB . TYR C 3 240 ? 198.45 222.411 216.737 1 84.88 ? 240 E 1
+5018 C CG . TYR C 3 240 ? 197.035 222.112 217.17 1 84.88 ? 240 E 1
+5019 C CD1 . TYR C 3 240 ? 196.759 221.049 218.017 1 84.88 ? 240 E 1
+5020 C CD2 . TYR C 3 240 ? 195.972 222.873 216.707 1 84.88 ? 240 E 1
+5021 C CE1 . TYR C 3 240 ? 195.466 220.763 218.406 1 84.88 ? 240 E 1
+5022 C CE2 . TYR C 3 240 ? 194.675 222.594 217.089 1 84.88 ? 240 E 1
+5023 C CZ . TYR C 3 240 ? 194.428 221.538 217.938 1 84.88 ? 240 E 1
+5024 O OH . TYR C 3 240 ? 193.139 221.258 218.325 1 84.88 ? 240 E 1
+5025 N N . TYR C 3 241 ? 201.618 223.134 217.602 1 92.22 ? 241 E 1
+5026 C CA . TYR C 3 241 ? 202.996 223.3 217.067 1 92.22 ? 241 E 1
+5027 C C . TYR C 3 241 ? 203.928 222.337 217.809 1 92.22 ? 241 E 1
+5028 O O . TYR C 3 241 ? 203.533 221.829 218.877 1 92.22 ? 241 E 1
+5029 C CB . TYR C 3 241 ? 203.46 224.754 217.184 1 92.22 ? 241 E 1
+5030 C CG . TYR C 3 241 ? 203.629 225.266 218.593 1 92.22 ? 241 E 1
+5031 C CD1 . TYR C 3 241 ? 202.542 225.7 219.332 1 92.22 ? 241 E 1
+5032 C CD2 . TYR C 3 241 ? 204.88 225.33 219.183 1 92.22 ? 241 E 1
+5033 C CE1 . TYR C 3 241 ? 202.69 226.177 220.624 1 92.22 ? 241 E 1
+5034 C CE2 . TYR C 3 241 ? 205.047 225.804 220.473 1 92.22 ? 241 E 1
+5035 C CZ . TYR C 3 241 ? 203.948 226.229 221.197 1 92.22 ? 241 E 1
+5036 O OH . TYR C 3 241 ? 204.105 226.698 222.47 1 92.22 ? 241 E 1
+5037 N N . ASP C 3 242 ? 205.122 222.091 217.263 1 98.03 ? 242 E 1
+5038 C CA . ASP C 3 242 ? 206.104 221.205 217.943 1 98.03 ? 242 E 1
+5039 C C . ASP C 3 242 ? 206.258 221.657 219.399 1 98.03 ? 242 E 1
+5040 O O . ASP C 3 242 ? 206.793 222.762 219.618 1 98.03 ? 242 E 1
+5041 C CB . ASP C 3 242 ? 207.445 221.19 217.206 1 98.03 ? 242 E 1
+5042 N N . VAL C 3 243 ? 205.783 220.85 220.356 1 99.74 ? 243 E 1
+5043 C CA . VAL C 3 243 ? 205.833 221.263 221.793 1 99.74 ? 243 E 1
+5044 C C . VAL C 3 243 ? 206.526 220.178 222.627 1 99.74 ? 243 E 1
+5045 O O . VAL C 3 243 ? 205.814 219.423 223.319 1 99.74 ? 243 E 1
+5046 C CB . VAL C 3 243 ? 204.435 221.603 222.35 1 99.74 ? 243 E 1
+5047 C CG1 . VAL C 3 243 ? 204.484 221.928 223.836 1 99.74 ? 243 E 1
+5048 C CG2 . VAL C 3 243 ? 203.79 222.751 221.589 1 99.74 ? 243 E 1
+5049 N N . ASP C 3 244 ? 207.859 220.102 222.539 1 113.98 ? 244 E 1
+5050 C CA . ASP C 3 244 ? 208.644 219.143 223.363 1 113.98 ? 244 E 1
+5051 C C . ASP C 3 244 ? 209.61 219.968 224.216 1 113.98 ? 244 E 1
+5052 O O . ASP C 3 244 ? 210.691 220.318 223.705 1 113.98 ? 244 E 1
+5053 C CB . ASP C 3 244 ? 209.376 218.118 222.494 1 113.98 ? 244 E 1
+5054 C CG . ASP C 3 244 ? 210.263 217.172 223.287 1 113.98 ? 244 E 1
+5055 O OD1 . ASP C 3 244 ? 210.189 217.201 224.532 1 113.98 ? 244 E 1
+5056 O OD2 . ASP C 3 244 ? 211.023 216.415 222.652 1 113.98 ? 244 E 1
+5057 N N . TYR C 3 245 ? 209.235 220.266 225.462 1 106.63 ? 245 E 1
+5058 C CA . TYR C 3 245 ? 210.068 221.161 226.31 1 106.63 ? 245 E 1
+5059 C C . TYR C 3 245 ? 211.46 220.572 226.561 1 106.63 ? 245 E 1
+5060 O O . TYR C 3 245 ? 212.445 221.307 226.356 1 106.63 ? 245 E 1
+5061 C CB . TYR C 3 245 ? 209.346 221.471 227.625 1 106.63 ? 245 E 1
+5062 C CG . TYR C 3 245 ? 208.241 222.489 227.5 1 106.63 ? 245 E 1
+5063 C CD1 . TYR C 3 245 ? 208.494 223.842 227.66 1 106.63 ? 245 E 1
+5064 C CD2 . TYR C 3 245 ? 206.943 222.103 227.213 1 106.63 ? 245 E 1
+5065 C CE1 . TYR C 3 245 ? 207.486 224.784 227.543 1 106.63 ? 245 E 1
+5066 C CE2 . TYR C 3 245 ? 205.923 223.032 227.092 1 106.63 ? 245 E 1
+5067 C CZ . TYR C 3 245 ? 206.195 224.378 227.259 1 106.63 ? 245 E 1
+5068 O OH . TYR C 3 245 ? 205.193 225.297 227.141 1 106.63 ? 245 E 1
+5069 N N . GLU C 3 246 ? 211.555 219.304 226.976 1 112.19 ? 246 E 1
+5070 C CA . GLU C 3 246 ? 212.871 218.789 227.339 1 112.19 ? 246 E 1
+5071 C C . GLU C 3 246 ? 213.871 218.902 226.195 1 112.19 ? 246 E 1
+5072 O O . GLU C 3 246 ? 215.081 218.781 226.415 1 112.19 ? 246 E 1
+5073 C CB . GLU C 3 246 ? 212.754 217.333 227.795 1 112.19 ? 246 E 1
+5074 N N . LYS C 3 247 ? 213.393 219.131 224.969 1 115.88 ? 247 E 1
+5075 C CA . LYS C 3 247 ? 214.276 219.301 223.826 1 115.88 ? 247 E 1
+5076 C C . LYS C 3 247 ? 214.259 220.707 223.242 1 115.88 ? 247 E 1
+5077 O O . LYS C 3 247 ? 215.326 221.222 222.89 1 115.88 ? 247 E 1
+5078 C CB . LYS C 3 247 ? 213.924 218.294 222.72 1 115.88 ? 247 E 1
+5079 N N . ASN C 3 248 ? 213.095 221.345 223.128 1 112.54 ? 248 E 1
+5080 C CA . ASN C 3 248 ? 213.025 222.682 222.552 1 112.54 ? 248 E 1
+5081 C C . ASN C 3 248 ? 212.167 223.614 223.401 1 112.54 ? 248 E 1
+5082 O O . ASN C 3 248 ? 211.289 224.307 222.877 1 112.54 ? 248 E 1
+5083 C CB . ASN C 3 248 ? 212.515 222.618 221.105 1 112.54 ? 248 E 1
+5084 C CG . ASN C 3 248 ? 212.689 223.929 220.348 1 112.54 ? 248 E 1
+5085 O OD1 . ASN C 3 248 ? 213.478 224.79 220.729 1 112.54 ? 248 E 1
+5086 N ND2 . ASN C 3 248 ? 211.94 224.079 219.262 1 112.54 ? 248 E 1
+5087 N N . ALA C 3 249 ? 212.418 223.633 224.714 1 103.36 ? 249 E 1
+5088 C CA . ALA C 3 249 ? 211.629 224.471 225.613 1 103.36 ? 249 E 1
+5089 C C . ALA C 3 249 ? 211.652 225.934 225.188 1 103.36 ? 249 E 1
+5090 O O . ALA C 3 249 ? 210.671 226.659 225.387 1 103.36 ? 249 E 1
+5091 C CB . ALA C 3 249 ? 212.141 224.323 227.045 1 103.36 ? 249 E 1
+5092 N N . LYS C 3 250 ? 212.762 226.387 224.601 1 102.6 ? 250 E 1
+5093 C CA . LYS C 3 250 ? 212.873 227.787 224.203 1 102.6 ? 250 E 1
+5094 C C . LYS C 3 250 ? 211.838 228.147 223.142 1 102.6 ? 250 E 1
+5095 O O . LYS C 3 250 ? 211.168 229.182 223.239 1 102.6 ? 250 E 1
+5096 C CB . LYS C 3 250 ? 214.287 228.075 223.697 1 102.6 ? 250 E 1
+5097 N N . GLY C 3 251 ? 211.687 227.299 222.123 1 100.84 ? 251 E 1
+5098 C CA . GLY C 3 251 ? 210.716 227.584 221.076 1 100.84 ? 251 E 1
+5099 C C . GLY C 3 251 ? 209.284 227.531 221.574 1 100.84 ? 251 E 1
+5100 O O . GLY C 3 251 ? 208.448 228.355 221.185 1 100.84 ? 251 E 1
+5101 N N . SER C 3 252 ? 208.979 226.554 222.431 1 102.47 ? 252 E 1
+5102 C CA . SER C 3 252 ? 207.645 226.47 223.013 1 102.47 ? 252 E 1
+5103 C C . SER C 3 252 ? 207.334 227.713 223.836 1 102.47 ? 252 E 1
+5104 O O . SER C 3 252 ? 206.238 228.276 223.741 1 102.47 ? 252 E 1
+5105 C CB . SER C 3 252 ? 207.525 225.208 223.868 1 102.47 ? 252 E 1
+5106 N N . ASN C 3 253 ? 208.299 228.161 224.647 1 100.56 ? 253 E 1
+5107 C CA . ASN C 3 253 ? 208.113 229.386 225.416 1 100.56 ? 253 E 1
+5108 C C . ASN C 3 253 ? 207.916 230.588 224.507 1 100.56 ? 253 E 1
+5109 O O . ASN C 3 253 ? 207.053 231.428 224.772 1 100.56 ? 253 E 1
+5110 C CB . ASN C 3 253 ? 209.309 229.611 226.341 1 100.56 ? 253 E 1
+5111 C CG . ASN C 3 253 ? 209.407 228.564 227.431 1 100.56 ? 253 E 1
+5112 O OD1 . ASN C 3 253 ? 208.41 227.951 227.808 1 100.56 ? 253 E 1
+5113 N ND2 . ASN C 3 253 ? 210.615 228.349 227.939 1 100.56 ? 253 E 1
+5114 N N . TYR C 3 254 ? 208.695 230.677 223.429 1 98.98 ? 254 E 1
+5115 C CA . TYR C 3 254 ? 208.556 231.769 222.47 1 98.98 ? 254 E 1
+5116 C C . TYR C 3 254 ? 207.146 231.826 221.889 1 98.98 ? 254 E 1
+5117 O O . TYR C 3 254 ? 206.489 232.878 221.897 1 98.98 ? 254 E 1
+5118 C CB . TYR C 3 254 ? 209.595 231.584 221.364 1 98.98 ? 254 E 1
+5119 C CG . TYR C 3 254 ? 209.519 232.584 220.241 1 98.98 ? 254 E 1
+5120 C CD1 . TYR C 3 254 ? 210.004 233.874 220.394 1 98.98 ? 254 E 1
+5121 C CD2 . TYR C 3 254 ? 208.959 232.234 219.019 1 98.98 ? 254 E 1
+5122 C CE1 . TYR C 3 254 ? 209.935 234.784 219.361 1 98.98 ? 254 E 1
+5123 C CE2 . TYR C 3 254 ? 208.884 233.138 217.984 1 98.98 ? 254 E 1
+5124 C CZ . TYR C 3 254 ? 209.374 234.413 218.158 1 98.98 ? 254 E 1
+5125 O OH . TYR C 3 254 ? 209.3 235.317 217.124 1 98.98 ? 254 E 1
+5126 N N . TRP C 3 255 ? 206.662 230.694 221.379 1 97.53 ? 255 E 1
+5127 C CA . TRP C 3 255 ? 205.363 230.697 220.717 1 97.53 ? 255 E 1
+5128 C C . TRP C 3 255 ? 204.221 230.901 221.706 1 97.53 ? 255 E 1
+5129 O O . TRP C 3 255 ? 203.272 231.647 221.411 1 97.53 ? 255 E 1
+5130 C CB . TRP C 3 255 ? 205.171 229.399 219.933 1 97.53 ? 255 E 1
+5131 C CG . TRP C 3 255 ? 205.942 229.358 218.638 1 97.53 ? 255 E 1
+5132 C CD1 . TRP C 3 255 ? 206.745 228.345 218.199 1 97.53 ? 255 E 1
+5133 C CD2 . TRP C 3 255 ? 206 230.378 217.627 1 97.53 ? 255 E 1
+5134 N NE1 . TRP C 3 255 ? 207.287 228.662 216.978 1 97.53 ? 255 E 1
+5135 C CE2 . TRP C 3 255 ? 206.845 229.903 216.604 1 97.53 ? 255 E 1
+5136 C CE3 . TRP C 3 255 ? 205.409 231.637 217.482 1 97.53 ? 255 E 1
+5137 C CZ2 . TRP C 3 255 ? 207.12 230.645 215.458 1 97.53 ? 255 E 1
+5138 C CZ3 . TRP C 3 255 ? 205.685 232.371 216.344 1 97.53 ? 255 E 1
+5139 C CH2 . TRP C 3 255 ? 206.531 231.873 215.347 1 97.53 ? 255 E 1
+5140 N N . ARG C 3 256 ? 204.292 230.265 222.879 1 98.82 ? 256 E 1
+5141 C CA . ARG C 3 256 ? 203.271 230.499 223.891 1 98.82 ? 256 E 1
+5142 C C . ARG C 3 256 ? 203.316 231.933 224.399 1 98.82 ? 256 E 1
+5143 O O . ARG C 3 256 ? 202.284 232.465 224.802 1 98.82 ? 256 E 1
+5144 C CB . ARG C 3 256 ? 203.418 229.505 225.046 1 98.82 ? 256 E 1
+5145 C CG . ARG C 3 256 ? 204.578 229.779 225.984 1 98.82 ? 256 E 1
+5146 C CD . ARG C 3 256 ? 204.37 229.129 227.343 1 98.82 ? 256 E 1
+5147 N NE . ARG C 3 256 ? 203.1 229.5 227.955 1 98.82 ? 256 E 1
+5148 C CZ . ARG C 3 256 ? 202.882 230.64 228.596 1 98.82 ? 256 E 1
+5149 N NH1 . ARG C 3 256 ? 203.826 231.561 228.709 1 98.82 ? 256 E 1
+5150 N NH2 . ARG C 3 256 ? 201.691 230.86 229.145 1 98.82 ? 256 E 1
+5151 N N . ASN C 3 257 ? 204.48 232.588 224.352 1 99.82 ? 257 E 1
+5152 C CA . ASN C 3 257 ? 204.551 233.991 224.745 1 99.82 ? 257 E 1
+5153 C C . ASN C 3 257 ? 203.897 234.888 223.702 1 99.82 ? 257 E 1
+5154 O O . ASN C 3 257 ? 203.226 235.867 224.049 1 99.82 ? 257 E 1
+5155 C CB . ASN C 3 257 ? 206.006 234.397 224.972 1 99.82 ? 257 E 1
+5156 C CG . ASN C 3 257 ? 206.462 234.154 226.397 1 99.82 ? 257 E 1
+5157 O OD1 . ASN C 3 257 ? 205.764 234.494 227.352 1 99.82 ? 257 E 1
+5158 N ND2 . ASN C 3 257 ? 207.639 233.557 226.549 1 99.82 ? 257 E 1
+5159 N N . ARG C 3 258 ? 204.091 234.578 222.419 1 97.46 ? 258 E 1
+5160 C CA . ARG C 3 258 ? 203.35 235.272 221.366 1 97.46 ? 258 E 1
+5161 C C . ARG C 3 258 ? 201.843 235.162 221.592 1 97.46 ? 258 E 1
+5162 O O . ARG C 3 258 ? 201.115 236.173 221.635 1 97.46 ? 258 E 1
+5163 C CB . ARG C 3 258 ? 203.727 234.687 220.002 1 97.46 ? 258 E 1
+5164 C CG . ARG C 3 258 ? 205.165 234.914 219.564 1 97.46 ? 258 E 1
+5165 C CD . ARG C 3 258 ? 205.28 236.272 218.895 1 97.46 ? 258 E 1
+5166 N NE . ARG C 3 258 ? 206.649 236.668 218.585 1 97.46 ? 258 E 1
+5167 C CZ . ARG C 3 258 ? 207.38 237.477 219.337 1 97.46 ? 258 E 1
+5168 N NH1 . ARG C 3 258 ? 206.906 237.995 220.457 1 97.46 ? 258 E 1
+5169 N NH2 . ARG C 3 258 ? 208.614 237.787 218.949 1 97.46 ? 258 E 1
+5170 N N . VAL C 3 259 ? 201.362 233.926 221.751 1 90.51 ? 259 E 1
+5171 C CA . VAL C 3 259 ? 199.932 233.706 221.949 1 90.51 ? 259 E 1
+5172 C C . VAL C 3 259 ? 199.468 234.391 223.226 1 90.51 ? 259 E 1
+5173 O O . VAL C 3 259 ? 198.377 234.971 223.281 1 90.51 ? 259 E 1
+5174 C CB . VAL C 3 259 ? 199.619 232.198 221.961 1 90.51 ? 259 E 1
+5175 C CG1 . VAL C 3 259 ? 198.181 231.953 222.381 1 90.51 ? 259 E 1
+5176 C CG2 . VAL C 3 259 ? 199.881 231.594 220.59 1 90.51 ? 259 E 1
+5177 N N . MET C 3 260 ? 200.304 234.362 224.264 1 97.35 ? 260 E 1
+5178 C CA . MET C 3 260 ? 199.963 234.977 225.538 1 97.35 ? 260 E 1
+5179 C C . MET C 3 260 ? 199.806 236.481 225.401 1 97.35 ? 260 E 1
+5180 O O . MET C 3 260 ? 198.874 237.066 225.955 1 97.35 ? 260 E 1
+5181 C CB . MET C 3 260 ? 201.036 234.645 226.576 1 97.35 ? 260 E 1
+5182 C CG . MET C 3 260 ? 200.664 235.002 228.007 1 97.35 ? 260 E 1
+5183 S SD . MET C 3 260 ? 201.021 236.727 228.401 1 97.35 ? 260 E 1
+5184 C CE . MET C 3 260 ? 202.533 236.561 229.336 1 97.35 ? 260 E 1
+5185 N N . MET C 3 261 ? 200.724 237.136 224.686 1 97.8 ? 261 E 1
+5186 C CA . MET C 3 261 ? 200.641 238.59 224.613 1 97.8 ? 261 E 1
+5187 C C . MET C 3 261 ? 199.427 239.016 223.803 1 97.8 ? 261 E 1
+5188 O O . MET C 3 261 ? 198.732 239.969 224.175 1 97.8 ? 261 E 1
+5189 C CB . MET C 3 261 ? 201.915 239.209 224.03 1 97.8 ? 261 E 1
+5190 C CG . MET C 3 261 ? 202.212 238.892 222.581 1 97.8 ? 261 E 1
+5191 S SD . MET C 3 261 ? 203.757 239.647 222.045 1 97.8 ? 261 E 1
+5192 C CE . MET C 3 261 ? 203.821 239.094 220.348 1 97.8 ? 261 E 1
+5193 N N . VAL C 3 262 ? 199.127 238.307 222.709 1 92.87 ? 262 E 1
+5194 C CA . VAL C 3 262 ? 197.946 238.688 221.933 1 92.87 ? 262 E 1
+5195 C C . VAL C 3 262 ? 196.669 238.414 222.733 1 92.87 ? 262 E 1
+5196 O O . VAL C 3 262 ? 195.736 239.235 222.756 1 92.87 ? 262 E 1
+5197 C CB . VAL C 3 262 ? 197.944 237.995 220.556 1 92.87 ? 262 E 1
+5198 C CG1 . VAL C 3 262 ? 196.65 238.306 219.816 1 92.87 ? 262 E 1
+5199 C CG2 . VAL C 3 262 ? 199.138 238.399 219.711 1 92.87 ? 262 E 1
+5200 N N . ALA C 3 263 ? 196.628 237.281 223.443 1 86.41 ? 263 E 1
+5201 C CA . ALA C 3 263 ? 195.463 236.949 224.252 1 86.41 ? 263 E 1
+5202 C C . ALA C 3 263 ? 195.278 237.941 225.389 1 86.41 ? 263 E 1
+5203 O O . ALA C 3 263 ? 194.149 238.321 225.708 1 86.41 ? 263 E 1
+5204 C CB . ALA C 3 263 ? 195.597 235.53 224.8 1 86.41 ? 263 E 1
+5205 N N . LYS C 3 264 ? 196.374 238.366 226.018 1 93.23 ? 264 E 1
+5206 C CA . LYS C 3 264 ? 196.284 239.326 227.11 1 93.23 ? 264 E 1
+5207 C C . LYS C 3 264 ? 195.873 240.698 226.6 1 93.23 ? 264 E 1
+5208 O O . LYS C 3 264 ? 195.143 241.426 227.281 1 93.23 ? 264 E 1
+5209 C CB . LYS C 3 264 ? 197.618 239.406 227.852 1 93.23 ? 264 E 1
+5210 N N . LYS C 3 265 ? 196.332 241.073 225.403 1 93.87 ? 265 E 1
+5211 C CA . LYS C 3 265 ? 195.882 242.327 224.81 1 93.87 ? 265 E 1
+5212 C C . LYS C 3 265 ? 194.372 242.316 224.609 1 93.87 ? 265 E 1
+5213 O O . LYS C 3 265 ? 193.675 243.266 224.983 1 93.87 ? 265 E 1
+5214 C CB . LYS C 3 265 ? 196.604 242.572 223.486 1 93.87 ? 265 E 1
+5215 C CG . LYS C 3 265 ? 196.422 243.979 222.94 1 93.87 ? 265 E 1
+5216 C CD . LYS C 3 265 ? 196.963 244.099 221.527 1 93.87 ? 265 E 1
+5217 C CE . LYS C 3 265 ? 196.149 243.261 220.556 1 93.87 ? 265 E 1
+5218 N NZ . LYS C 3 265 ? 194.717 243.665 220.552 1 93.87 ? 265 E 1
+5219 N N . PHE C 3 266 ? 193.84 241.227 224.047 1 91.93 ? 266 E 1
+5220 C CA . PHE C 3 266 ? 192.392 241.186 223.846 1 91.93 ? 266 E 1
+5221 C C . PHE C 3 266 ? 191.63 241.004 225.158 1 91.93 ? 266 E 1
+5222 O O . PHE C 3 266 ? 190.488 241.463 225.277 1 91.93 ? 266 E 1
+5223 C CB . PHE C 3 266 ? 192.026 240.101 222.838 1 91.93 ? 266 E 1
+5224 C CG . PHE C 3 266 ? 192.163 240.549 221.415 1 91.93 ? 266 E 1
+5225 C CD1 . PHE C 3 266 ? 191.096 241.134 220.757 1 91.93 ? 266 E 1
+5226 C CD2 . PHE C 3 266 ? 193.367 240.421 220.748 1 91.93 ? 266 E 1
+5227 C CE1 . PHE C 3 266 ? 191.22 241.561 219.452 1 91.93 ? 266 E 1
+5228 C CE2 . PHE C 3 266 ? 193.498 240.848 219.444 1 91.93 ? 266 E 1
+5229 C CZ . PHE C 3 266 ? 192.424 241.418 218.794 1 91.93 ? 266 E 1
+5230 N N . LEU C 3 267 ? 192.237 240.356 226.153 1 91.67 ? 267 E 1
+5231 C CA . LEU C 3 267 ? 191.602 240.253 227.462 1 91.67 ? 267 E 1
+5232 C C . LEU C 3 267 ? 191.499 241.618 228.13 1 91.67 ? 267 E 1
+5233 O O . LEU C 3 267 ? 190.476 241.941 228.743 1 91.67 ? 267 E 1
+5234 C CB . LEU C 3 267 ? 192.378 239.277 228.346 1 91.67 ? 267 E 1
+5235 N N . ASP C 3 268 ? 192.556 242.428 228.028 1 91.32 ? 268 E 1
+5236 C CA . ASP C 3 268 ? 192.484 243.806 228.5 1 91.32 ? 268 E 1
+5237 C C . ASP C 3 268 ? 191.457 244.595 227.701 1 91.32 ? 268 E 1
+5238 O O . ASP C 3 268 ? 190.771 245.468 228.246 1 91.32 ? 268 E 1
+5239 C CB . ASP C 3 268 ? 193.86 244.464 228.415 1 91.32 ? 268 E 1
+5240 N N . ALA C 3 269 ? 191.341 244.304 226.403 1 93.99 ? 269 E 1
+5241 C CA . ALA C 3 269 ? 190.253 244.868 225.612 1 93.99 ? 269 E 1
+5242 C C . ALA C 3 269 ? 188.888 244.424 226.122 1 93.99 ? 269 E 1
+5243 O O . ALA C 3 269 ? 187.894 245.118 225.883 1 93.99 ? 269 E 1
+5244 C CB . ALA C 3 269 ? 190.415 244.486 224.14 1 93.99 ? 269 E 1
+5245 N N . GLY C 3 270 ? 188.819 243.289 226.816 1 93.48 ? 270 E 1
+5246 C CA . GLY C 3 270 ? 187.612 242.899 227.519 1 93.48 ? 270 E 1
+5247 C C . GLY C 3 270 ? 186.67 241.967 226.786 1 93.48 ? 270 E 1
+5248 O O . GLY C 3 270 ? 185.475 242.253 226.671 1 93.48 ? 270 E 1
+5249 N N . HIS C 3 271 ? 187.188 240.842 226.298 1 91.82 ? 271 E 1
+5250 C CA . HIS C 3 271 ? 186.362 239.805 225.699 1 91.82 ? 271 E 1
+5251 C C . HIS C 3 271 ? 186.762 238.455 226.277 1 91.82 ? 271 E 1
+5252 O O . HIS C 3 271 ? 187.9 238.262 226.714 1 91.82 ? 271 E 1
+5253 C CB . HIS C 3 271 ? 186.485 239.786 224.17 1 91.82 ? 271 E 1
+5254 C CG . HIS C 3 271 ? 185.498 240.67 223.472 1 91.82 ? 271 E 1
+5255 N ND1 . HIS C 3 271 ? 184.815 240.275 222.342 1 91.82 ? 271 E 1
+5256 C CD2 . HIS C 3 271 ? 185.085 241.932 223.739 1 91.82 ? 271 E 1
+5257 C CE1 . HIS C 3 271 ? 184.02 241.253 221.946 1 91.82 ? 271 E 1
+5258 N NE2 . HIS C 3 271 ? 184.166 242.27 222.776 1 91.82 ? 271 E 1
+5259 N N . LYS C 3 272 ? 185.814 237.521 226.274 1 92.16 ? 272 E 1
+5260 C CA . LYS C 3 272 ? 185.989 236.211 226.899 1 92.16 ? 272 E 1
+5261 C C . LYS C 3 272 ? 186.412 235.207 225.832 1 92.16 ? 272 E 1
+5262 O O . LYS C 3 272 ? 185.646 234.893 224.918 1 92.16 ? 272 E 1
+5263 C CB . LYS C 3 272 ? 184.707 235.773 227.598 1 92.16 ? 272 E 1
+5264 N N . LEU C 3 273 ? 187.64 234.698 225.957 1 78.59 ? 273 E 1
+5265 C CA . LEU C 3 273 ? 188.15 233.675 225.045 1 78.59 ? 273 E 1
+5266 C C . LEU C 3 273 ? 189.332 232.995 225.731 1 78.59 ? 273 E 1
+5267 O O . LEU C 3 273 ? 190.341 233.646 226.017 1 78.59 ? 273 E 1
+5268 C CB . LEU C 3 273 ? 188.553 234.28 223.708 1 78.59 ? 273 E 1
+5269 C CG . LEU C 3 273 ? 189.184 233.309 222.71 1 78.59 ? 273 E 1
+5270 C CD1 . LEU C 3 273 ? 188.201 232.211 222.338 1 78.59 ? 273 E 1
+5271 C CD2 . LEU C 3 273 ? 189.664 234.05 221.472 1 78.59 ? 273 E 1
+5272 N N . ASN C 3 274 ? 189.2 231.697 225.992 1 77.05 ? 274 E 1
+5273 C CA . ASN C 3 274 ? 190.294 230.943 226.586 1 77.05 ? 274 E 1
+5274 C C . ASN C 3 274 ? 191.289 230.508 225.513 1 77.05 ? 274 E 1
+5275 O O . ASN C 3 274 ? 190.946 230.328 224.341 1 77.05 ? 274 E 1
+5276 C CB . ASN C 3 274 ? 189.761 229.727 227.339 1 77.05 ? 274 E 1
+5277 C CG . ASN C 3 274 ? 188.963 230.111 228.565 1 77.05 ? 274 E 1
+5278 O OD1 . ASN C 3 274 ? 189.105 231.214 229.092 1 77.05 ? 274 E 1
+5279 N ND2 . ASN C 3 274 ? 188.118 229.2 229.03 1 77.05 ? 274 E 1
+5280 N N . PHE C 3 275 ? 192.539 230.332 225.932 1 69.79 ? 275 E 1
+5281 C CA . PHE C 3 275 ? 193.624 230.042 225.007 1 69.79 ? 275 E 1
+5282 C C . PHE C 3 275 ? 194.349 228.788 225.47 1 69.79 ? 275 E 1
+5283 O O . PHE C 3 275 ? 194.246 228.392 226.633 1 69.79 ? 275 E 1
+5284 C CB . PHE C 3 275 ? 194.599 231.221 224.911 1 69.79 ? 275 E 1
+5285 C CG . PHE C 3 275 ? 194.103 232.346 224.05 1 69.79 ? 275 E 1
+5286 C CD1 . PHE C 3 275 ? 193.026 233.118 224.449 1 69.79 ? 275 E 1
+5287 C CD2 . PHE C 3 275 ? 194.721 232.642 222.85 1 69.79 ? 275 E 1
+5288 C CE1 . PHE C 3 275 ? 192.567 234.153 223.662 1 69.79 ? 275 E 1
+5289 C CE2 . PHE C 3 275 ? 194.267 233.678 222.059 1 69.79 ? 275 E 1
+5290 C CZ . PHE C 3 275 ? 193.189 234.434 222.466 1 69.79 ? 275 E 1
+5291 N N . ALA C 3 276 ? 195.07 228.159 224.544 1 70.7 ? 276 E 1
+5292 C CA . ALA C 3 276 ? 195.835 226.96 224.857 1 70.7 ? 276 E 1
+5293 C C . ALA C 3 276 ? 196.847 226.705 223.751 1 70.7 ? 276 E 1
+5294 O O . ALA C 3 276 ? 196.63 227.058 222.588 1 70.7 ? 276 E 1
+5295 C CB . ALA C 3 276 ? 194.924 225.741 225.036 1 70.7 ? 276 E 1
+5296 N N . VAL C 3 277 ? 197.955 226.076 224.13 1 74.74 ? 277 E 1
+5297 C CA . VAL C 3 277 ? 198.974 225.625 223.192 1 74.74 ? 277 E 1
+5298 C C . VAL C 3 277 ? 199.109 224.116 223.33 1 74.74 ? 277 E 1
+5299 O O . VAL C 3 277 ? 199.027 223.575 224.438 1 74.74 ? 277 E 1
+5300 C CB . VAL C 3 277 ? 200.329 226.326 223.422 1 74.74 ? 277 E 1
+5301 C CG1 . VAL C 3 277 ? 200.238 227.786 223.025 1 74.74 ? 277 E 1
+5302 C CG2 . VAL C 3 277 ? 200.763 226.196 224.87 1 74.74 ? 277 E 1
+5303 N N . ALA C 3 278 ? 199.295 223.437 222.202 1 84.29 ? 278 E 1
+5304 C CA . ALA C 3 278 ? 199.351 221.985 222.18 1 84.29 ? 278 E 1
+5305 C C . ALA C 3 278 ? 200.452 221.507 221.246 1 84.29 ? 278 E 1
+5306 O O . ALA C 3 278 ? 200.832 222.195 220.289 1 84.29 ? 278 E 1
+5307 C CB . ALA C 3 278 ? 198.009 221.38 221.748 1 84.29 ? 278 E 1
+5308 N N . SER C 3 279 ? 200.966 220.318 221.547 1 93 ? 279 E 1
+5309 C CA . SER C 3 279 ? 201.933 219.664 220.683 1 93 ? 279 E 1
+5310 C C . SER C 3 279 ? 201.221 219.009 219.508 1 93 ? 279 E 1
+5311 O O . SER C 3 279 ? 200.206 218.328 219.679 1 93 ? 279 E 1
+5312 C CB . SER C 3 279 ? 202.737 218.625 221.464 1 93 ? 279 E 1
+5313 O OG . SER C 3 279 ? 201.89 217.637 222.015 1 93 ? 279 E 1
+5314 N N . ARG C 3 280 ? 201.76 219.229 218.306 1 94.44 ? 280 E 1
+5315 C CA . ARG C 3 280 ? 201.114 218.726 217.099 1 94.44 ? 280 E 1
+5316 C C . ARG C 3 280 ? 201.031 217.205 217.089 1 94.44 ? 280 E 1
+5317 O O . ARG C 3 280 ? 200.001 216.644 216.701 1 94.44 ? 280 E 1
+5318 C CB . ARG C 3 280 ? 201.861 219.226 215.861 1 94.44 ? 280 E 1
+5319 C CG . ARG C 3 280 ? 201.3 218.711 214.546 1 94.44 ? 280 E 1
+5320 C CD . ARG C 3 280 ? 201.983 219.365 213.355 1 94.44 ? 280 E 1
+5321 N NE . ARG C 3 280 ? 201.625 220.772 213.217 1 94.44 ? 280 E 1
+5322 C CZ . ARG C 3 280 ? 202.455 221.782 213.438 1 94.44 ? 280 E 1
+5323 N NH1 . ARG C 3 280 ? 203.706 221.578 213.816 1 94.44 ? 280 E 1
+5324 N NH2 . ARG C 3 280 ? 202.019 223.028 213.275 1 94.44 ? 280 E 1
+5325 N N . LYS C 3 281 ? 202.097 216.524 217.513 1 91.68 ? 281 E 1
+5326 C CA . LYS C 3 281 ? 202.128 215.066 217.454 1 91.68 ? 281 E 1
+5327 C C . LYS C 3 281 ? 201.1 214.437 218.389 1 91.68 ? 281 E 1
+5328 O O . LYS C 3 281 ? 200.408 213.486 218.01 1 91.68 ? 281 E 1
+5329 C CB . LYS C 3 281 ? 203.533 214.559 217.786 1 91.68 ? 281 E 1
+5330 N N . THR C 3 282 ? 200.992 214.949 219.618 1 93.39 ? 282 E 1
+5331 C CA . THR C 3 282 ? 200.088 214.347 220.595 1 93.39 ? 282 E 1
+5332 C C . THR C 3 282 ? 198.633 214.495 220.168 1 93.39 ? 282 E 1
+5333 O O . THR C 3 282 ? 197.834 213.562 220.31 1 93.39 ? 282 E 1
+5334 C CB . THR C 3 282 ? 200.306 214.973 221.972 1 93.39 ? 282 E 1
+5335 O OG1 . THR C 3 282 ? 201.7 214.933 222.303 1 93.39 ? 282 E 1
+5336 C CG2 . THR C 3 282 ? 199.518 214.219 223.033 1 93.39 ? 282 E 1
+5337 N N . PHE C 3 283 ? 198.27 215.663 219.644 1 93.4 ? 283 E 1
+5338 C CA . PHE C 3 283 ? 196.898 215.947 219.23 1 93.4 ? 283 E 1
+5339 C C . PHE C 3 283 ? 196.718 215.825 217.724 1 93.4 ? 283 E 1
+5340 O O . PHE C 3 283 ? 195.778 216.391 217.161 1 93.4 ? 283 E 1
+5341 C CB . PHE C 3 283 ? 196.478 217.334 219.707 1 93.4 ? 283 E 1
+5342 C CG . PHE C 3 283 ? 195.855 217.341 221.072 1 93.4 ? 283 E 1
+5343 C CD1 . PHE C 3 283 ? 195.199 218.466 221.541 1 93.4 ? 283 E 1
+5344 C CD2 . PHE C 3 283 ? 195.921 216.223 221.885 1 93.4 ? 283 E 1
+5345 C CE1 . PHE C 3 283 ? 194.62 218.477 222.794 1 93.4 ? 283 E 1
+5346 C CE2 . PHE C 3 283 ? 195.345 216.228 223.141 1 93.4 ? 283 E 1
+5347 C CZ . PHE C 3 283 ? 194.694 217.357 223.596 1 93.4 ? 283 E 1
+5348 N N . SER C 3 284 ? 197.597 215.074 217.053 1 93.27 ? 284 E 1
+5349 C CA . SER C 3 284 ? 197.518 214.943 215.6 1 93.27 ? 284 E 1
+5350 C C . SER C 3 284 ? 196.178 214.365 215.163 1 93.27 ? 284 E 1
+5351 O O . SER C 3 284 ? 195.72 214.624 214.044 1 93.27 ? 284 E 1
+5352 C CB . SER C 3 284 ? 198.668 214.077 215.09 1 93.27 ? 284 E 1
+5353 O OG . SER C 3 284 ? 198.563 212.752 215.581 1 93.27 ? 284 E 1
+5354 N N . HIS C 3 285 ? 195.538 213.576 216.028 1 96.98 ? 285 E 1
+5355 C CA . HIS C 3 285 ? 194.192 213.1 215.736 1 96.98 ? 285 E 1
+5356 C C . HIS C 3 285 ? 193.198 214.251 215.656 1 96.98 ? 285 E 1
+5357 O O . HIS C 3 285 ? 192.276 214.22 214.834 1 96.98 ? 285 E 1
+5358 C CB . HIS C 3 285 ? 193.752 212.094 216.799 1 96.98 ? 285 E 1
+5359 C CG . HIS C 3 285 ? 193.811 212.629 218.196 1 96.98 ? 285 E 1
+5360 N ND1 . HIS C 3 285 ? 194.993 212.766 218.892 1 96.98 ? 285 E 1
+5361 C CD2 . HIS C 3 285 ? 192.834 213.067 219.025 1 96.98 ? 285 E 1
+5362 C CE1 . HIS C 3 285 ? 194.742 213.262 220.09 1 96.98 ? 285 E 1
+5363 N NE2 . HIS C 3 285 ? 193.439 213.454 220.196 1 96.98 ? 285 E 1
+5364 N N . GLU C 3 286 ? 193.369 215.272 216.499 1 95.5 ? 286 E 1
+5365 C CA . GLU C 3 286 ? 192.442 216.398 216.511 1 95.5 ? 286 E 1
+5366 C C . GLU C 3 286 ? 192.668 217.343 215.337 1 95.5 ? 286 E 1
+5367 O O . GLU C 3 286 ? 191.764 218.108 214.983 1 95.5 ? 286 E 1
+5368 C CB . GLU C 3 286 ? 192.565 217.16 217.831 1 95.5 ? 286 E 1
+5369 C CG . GLU C 3 286 ? 191.398 218.084 218.129 1 95.5 ? 286 E 1
+5370 C CD . GLU C 3 286 ? 190.168 217.331 218.595 1 95.5 ? 286 E 1
+5371 O OE1 . GLU C 3 286 ? 189.057 217.896 218.518 1 95.5 ? 286 E 1
+5372 O OE2 . GLU C 3 286 ? 190.312 216.173 219.04 1 95.5 ? 286 E 1
+5373 N N . LEU C 3 287 ? 193.854 217.307 214.723 1 94.42 ? 287 E 1
+5374 C CA . LEU C 3 287 ? 194.127 218.186 213.589 1 94.42 ? 287 E 1
+5375 C C . LEU C 3 287 ? 193.223 217.862 212.406 1 94.42 ? 287 E 1
+5376 O O . LEU C 3 287 ? 192.904 218.742 211.598 1 94.42 ? 287 E 1
+5377 C CB . LEU C 3 287 ? 195.598 218.082 213.179 1 94.42 ? 287 E 1
+5378 C CG . LEU C 3 287 ? 196.636 218.975 213.869 1 94.42 ? 287 E 1
+5379 C CD1 . LEU C 3 287 ? 196.36 220.443 213.599 1 94.42 ? 287 E 1
+5380 C CD2 . LEU C 3 287 ? 196.712 218.72 215.36 1 94.42 ? 287 E 1
+5381 N N . SER C 3 288 ? 192.807 216.6 212.284 1 94.45 ? 288 E 1
+5382 C CA . SER C 3 288 ? 191.923 216.209 211.19 1 94.45 ? 288 E 1
+5383 C C . SER C 3 288 ? 190.559 216.877 211.31 1 94.45 ? 288 E 1
+5384 O O . SER C 3 288 ? 189.955 217.259 210.301 1 94.45 ? 288 E 1
+5385 C CB . SER C 3 288 ? 191.771 214.688 211.158 1 94.45 ? 288 E 1
+5386 O OG . SER C 3 288 ? 191.137 214.217 212.335 1 94.45 ? 288 E 1
+5387 N N . ASP C 3 289 ? 190.054 217.017 212.539 1 88.25 ? 289 E 1
+5388 C CA . ASP C 3 289 ? 188.745 217.629 212.744 1 88.25 ? 289 E 1
+5389 C C . ASP C 3 289 ? 188.713 219.061 212.224 1 88.25 ? 289 E 1
+5390 O O . ASP C 3 289 ? 187.684 219.524 211.719 1 88.25 ? 289 E 1
+5391 C CB . ASP C 3 289 ? 188.374 217.586 214.226 1 88.25 ? 289 E 1
+5392 C CG . ASP C 3 289 ? 186.912 217.891 214.47 1 88.25 ? 289 E 1
+5393 O OD1 . ASP C 3 289 ? 186.127 217.862 213.499 1 88.25 ? 289 E 1
+5394 O OD2 . ASP C 3 289 ? 186.546 218.161 215.633 1 88.25 ? 289 E 1
+5395 N N . PHE C 3 290 ? 189.829 219.777 212.338 1 85.12 ? 290 E 1
+5396 C CA . PHE C 3 290 ? 189.949 221.129 211.811 1 85.12 ? 290 E 1
+5397 C C . PHE C 3 290 ? 190.471 221.16 210.381 1 85.12 ? 290 E 1
+5398 O O . PHE C 3 290 ? 190.752 222.245 209.862 1 85.12 ? 290 E 1
+5399 C CB . PHE C 3 290 ? 190.856 221.971 212.712 1 85.12 ? 290 E 1
+5400 C CG . PHE C 3 290 ? 190.34 222.129 214.109 1 85.12 ? 290 E 1
+5401 C CD1 . PHE C 3 290 ? 191.212 222.188 215.181 1 85.12 ? 290 E 1
+5402 C CD2 . PHE C 3 290 ? 188.982 222.227 214.35 1 85.12 ? 290 E 1
+5403 C CE1 . PHE C 3 290 ? 190.738 222.338 216.468 1 85.12 ? 290 E 1
+5404 C CE2 . PHE C 3 290 ? 188.502 222.376 215.635 1 85.12 ? 290 E 1
+5405 C CZ . PHE C 3 290 ? 189.382 222.432 216.695 1 85.12 ? 290 E 1
+5406 N N . GLY C 3 291 ? 190.618 220 209.743 1 95.13 ? 291 E 1
+5407 C CA . GLY C 3 291 ? 191.074 219.933 208.369 1 95.13 ? 291 E 1
+5408 C C . GLY C 3 291 ? 192.443 220.546 208.173 1 95.13 ? 291 E 1
+5409 O O . GLY C 3 291 ? 192.706 221.194 207.156 1 95.13 ? 291 E 1
+5410 N N . LEU C 3 292 ? 193.325 220.347 209.15 1 97.24 ? 292 E 1
+5411 C CA . LEU C 3 292 ? 194.655 220.933 209.125 1 97.24 ? 292 E 1
+5412 C C . LEU C 3 292 ? 195.745 219.946 208.734 1 97.24 ? 292 E 1
+5413 O O . LEU C 3 292 ? 196.913 220.344 208.659 1 97.24 ? 292 E 1
+5414 C CB . LEU C 3 292 ? 194.982 221.541 210.496 1 97.24 ? 292 E 1
+5415 C CG . LEU C 3 292 ? 194.097 222.731 210.867 1 97.24 ? 292 E 1
+5416 C CD1 . LEU C 3 292 ? 194.326 223.165 212.303 1 97.24 ? 292 E 1
+5417 C CD2 . LEU C 3 292 ? 194.36 223.879 209.912 1 97.24 ? 292 E 1
+5418 N N . GLU C 3 293 ? 195.394 218.683 208.481 1 107.01 ? 293 E 1
+5419 C CA . GLU C 3 293 ? 196.343 217.66 208.056 1 107.01 ? 293 E 1
+5420 C C . GLU C 3 293 ? 197.521 217.558 209.017 1 107.01 ? 293 E 1
+5421 O O . GLU C 3 293 ? 197.343 217.256 210.201 1 107.01 ? 293 E 1
+5422 C CB . GLU C 3 293 ? 196.838 217.945 206.636 1 107.01 ? 293 E 1
+5423 N N . SER C 3 294 ? 198.729 217.809 208.511 1 109.22 ? 294 E 1
+5424 C CA . SER C 3 294 ? 199.957 217.772 209.306 1 109.22 ? 294 E 1
+5425 C C . SER C 3 294 ? 200.889 218.848 208.758 1 109.22 ? 294 E 1
+5426 O O . SER C 3 294 ? 201.544 218.646 207.732 1 109.22 ? 294 E 1
+5427 C CB . SER C 3 294 ? 200.599 216.388 209.265 1 109.22 ? 294 E 1
+5428 N N . THR C 3 295 ? 200.937 219.994 209.441 1 102.88 ? 295 E 1
+5429 C CA . THR C 3 295 ? 201.81 221.078 209.002 1 102.88 ? 295 E 1
+5430 C C . THR C 3 295 ? 203.275 220.662 209.053 1 102.88 ? 295 E 1
+5431 O O . THR C 3 295 ? 204.034 220.926 208.113 1 102.88 ? 295 E 1
+5432 C CB . THR C 3 295 ? 201.578 222.322 209.861 1 102.88 ? 295 E 1
+5433 N N . ALA C 3 296 ? 203.684 220.004 210.139 1 97.31 ? 296 E 1
+5434 C CA . ALA C 3 296 ? 205.053 219.519 210.317 1 97.31 ? 296 E 1
+5435 C C . ALA C 3 296 ? 206.069 220.643 210.122 1 97.31 ? 296 E 1
+5436 O O . ALA C 3 296 ? 207.109 220.476 209.483 1 97.31 ? 296 E 1
+5437 C CB . ALA C 3 296 ? 205.345 218.346 209.379 1 97.31 ? 296 E 1
+5438 N N . GLY C 3 297 ? 205.756 221.801 210.685 1 93.42 ? 297 E 1
+5439 C CA . GLY C 3 297 ? 206.609 222.965 210.542 1 93.42 ? 297 E 1
+5440 C C . GLY C 3 297 ? 206.694 223.738 211.839 1 93.42 ? 297 E 1
+5441 O O . GLY C 3 297 ? 205.837 223.619 212.717 1 93.42 ? 297 E 1
+5442 N N . GLU C 3 298 ? 207.756 224.541 211.95 1 94.77 ? 298 E 1
+5443 C CA . GLU C 3 298 ? 207.951 225.355 213.145 1 94.77 ? 298 E 1
+5444 C C . GLU C 3 298 ? 206.843 226.384 213.312 1 94.77 ? 298 E 1
+5445 O O . GLU C 3 298 ? 206.607 226.869 214.425 1 94.77 ? 298 E 1
+5446 C CB . GLU C 3 298 ? 209.314 226.047 213.091 1 94.77 ? 298 E 1
+5447 N N . ILE C 3 299 ? 206.16 226.734 212.227 1 96.11 ? 299 E 1
+5448 C CA . ILE C 3 299 ? 205.054 227.686 212.28 1 96.11 ? 299 E 1
+5449 C C . ILE C 3 299 ? 203.894 227.061 213.05 1 96.11 ? 299 E 1
+5450 O O . ILE C 3 299 ? 203.477 225.933 212.747 1 96.11 ? 299 E 1
+5451 C CB . ILE C 3 299 ? 204.635 228.134 210.868 1 96.11 ? 299 E 1
+5452 C CG1 . ILE C 3 299 ? 205.755 228.939 210.204 1 96.11 ? 299 E 1
+5453 C CG2 . ILE C 3 299 ? 203.312 228.9 210.888 1 96.11 ? 299 E 1
+5454 C CD1 . ILE C 3 299 ? 205.529 229.188 208.731 1 96.11 ? 299 E 1
+5455 N N . PRO C 3 300 ? 203.372 227.734 214.074 1 92.96 ? 300 E 1
+5456 C CA . PRO C 3 300 ? 202.232 227.18 214.814 1 92.96 ? 300 E 1
+5457 C C . PRO C 3 300 ? 200.927 227.443 214.078 1 92.96 ? 300 E 1
+5458 O O . PRO C 3 300 ? 200.633 228.577 213.694 1 92.96 ? 300 E 1
+5459 C CB . PRO C 3 300 ? 202.278 227.927 216.153 1 92.96 ? 300 E 1
+5460 C CG . PRO C 3 300 ? 203.646 228.533 216.21 1 92.96 ? 300 E 1
+5461 C CD . PRO C 3 300 ? 203.979 228.862 214.793 1 92.96 ? 300 E 1
+5462 N N . VAL C 3 301 ? 200.146 226.389 213.888 1 82.12 ? 301 E 1
+5463 C CA . VAL C 3 301 ? 198.817 226.535 213.309 1 82.12 ? 301 E 1
+5464 C C . VAL C 3 301 ? 197.848 226.894 214.424 1 82.12 ? 301 E 1
+5465 O O . VAL C 3 301 ? 197.973 226.406 215.55 1 82.12 ? 301 E 1
+5466 C CB . VAL C 3 301 ? 198.397 225.244 212.586 1 82.12 ? 301 E 1
+5467 C CG1 . VAL C 3 301 ? 197.057 225.435 211.901 1 82.12 ? 301 E 1
+5468 C CG2 . VAL C 3 301 ? 199.462 224.828 211.586 1 82.12 ? 301 E 1
+5469 N N . VAL C 3 302 ? 196.891 227.769 214.135 1 72.97 ? 302 E 1
+5470 C CA . VAL C 3 302 ? 195.961 228.263 215.144 1 72.97 ? 302 E 1
+5471 C C . VAL C 3 302 ? 194.538 227.953 214.698 1 72.97 ? 302 E 1
+5472 O O . VAL C 3 302 ? 194.197 228.125 213.522 1 72.97 ? 302 E 1
+5473 C CB . VAL C 3 302 ? 196.164 229.767 215.413 1 72.97 ? 302 E 1
+5474 C CG1 . VAL C 3 302 ? 195.839 230.591 214.189 1 72.97 ? 302 E 1
+5475 C CG2 . VAL C 3 302 ? 195.314 230.209 216.587 1 72.97 ? 302 E 1
+5476 N N . ALA C 3 303 ? 193.724 227.458 215.631 1 65.83 ? 303 E 1
+5477 C CA . ALA C 3 303 ? 192.34 227.107 215.354 1 65.83 ? 303 E 1
+5478 C C . ALA C 3 303 ? 191.473 227.462 216.552 1 65.83 ? 303 E 1
+5479 O O . ALA C 3 303 ? 191.967 227.607 217.674 1 65.83 ? 303 E 1
+5480 C CB . ALA C 3 303 ? 192.191 225.618 215.026 1 65.83 ? 303 E 1
+5481 N N . ILE C 3 304 ? 190.175 227.61 216.303 1 62.57 ? 304 E 1
+5482 C CA . ILE C 3 304 ? 189.202 227.939 217.338 1 62.57 ? 304 E 1
+5483 C C . ILE C 3 304 ? 188.041 226.962 217.261 1 62.57 ? 304 E 1
+5484 O O . ILE C 3 304 ? 187.53 226.68 216.172 1 62.57 ? 304 E 1
+5485 C CB . ILE C 3 304 ? 188.68 229.385 217.204 1 62.57 ? 304 E 1
+5486 C CG1 . ILE C 3 304 ? 189.798 230.401 217.424 1 62.57 ? 304 E 1
+5487 C CG2 . ILE C 3 304 ? 187.525 229.637 218.163 1 62.57 ? 304 E 1
+5488 C CD1 . ILE C 3 304 ? 189.291 231.826 217.486 1 62.57 ? 304 E 1
+5489 N N . ARG C 3 305 ? 187.623 226.448 218.415 1 72.82 ? 305 E 1
+5490 C CA . ARG C 3 305 ? 186.3 225.845 218.55 1 72.82 ? 305 E 1
+5491 C C . ARG C 3 305 ? 185.57 226.615 219.642 1 72.82 ? 305 E 1
+5492 O O . ARG C 3 305 ? 186.165 226.967 220.668 1 72.82 ? 305 E 1
+5493 C CB . ARG C 3 305 ? 186.359 224.346 218.865 1 72.82 ? 305 E 1
+5494 C CG . ARG C 3 305 ? 186.545 223.994 220.33 1 72.82 ? 305 E 1
+5495 C CD . ARG C 3 305 ? 186.339 222.51 220.587 1 72.82 ? 305 E 1
+5496 N NE . ARG C 3 305 ? 187.447 221.696 220.107 1 72.82 ? 305 E 1
+5497 C CZ . ARG C 3 305 ? 187.376 220.874 219.069 1 72.82 ? 305 E 1
+5498 N NH1 . ARG C 3 305 ? 186.262 220.743 218.367 1 72.82 ? 305 E 1
+5499 N NH2 . ARG C 3 305 ? 188.447 220.164 218.729 1 72.82 ? 305 E 1
+5500 N N . THR C 3 306 ? 184.301 226.92 219.399 1 78.59 ? 306 E 1
+5501 C CA . THR C 3 306 ? 183.494 227.592 220.402 1 78.59 ? 306 E 1
+5502 C C . THR C 3 306 ? 182.688 226.571 221.199 1 78.59 ? 306 E 1
+5503 O O . THR C 3 306 ? 182.667 225.376 220.89 1 78.59 ? 306 E 1
+5504 C CB . THR C 3 306 ? 182.563 228.614 219.751 1 78.59 ? 306 E 1
+5505 O OG1 . THR C 3 306 ? 182.019 229.477 220.757 1 78.59 ? 306 E 1
+5506 C CG2 . THR C 3 306 ? 181.43 227.913 219.028 1 78.59 ? 306 E 1
+5507 N N . ALA C 3 307 ? 182.021 227.06 222.247 1 80.47 ? 307 E 1
+5508 C CA . ALA C 3 307 ? 181.216 226.177 223.085 1 80.47 ? 307 E 1
+5509 C C . ALA C 3 307 ? 180.066 225.553 222.306 1 80.47 ? 307 E 1
+5510 O O . ALA C 3 307 ? 179.61 224.455 222.645 1 80.47 ? 307 E 1
+5511 C CB . ALA C 3 307 ? 180.685 226.944 224.296 1 80.47 ? 307 E 1
+5512 N N . LYS C 3 308 ? 179.588 226.229 221.263 1 86.41 ? 308 E 1
+5513 C CA . LYS C 3 308 ? 178.488 225.72 220.453 1 86.41 ? 308 E 1
+5514 C C . LYS C 3 308 ? 178.932 224.697 219.415 1 86.41 ? 308 E 1
+5515 O O . LYS C 3 308 ? 178.074 224.064 218.791 1 86.41 ? 308 E 1
+5516 C CB . LYS C 3 308 ? 177.773 226.879 219.756 1 86.41 ? 308 E 1
+5517 C CG . LYS C 3 308 ? 177.038 227.815 220.703 1 86.41 ? 308 E 1
+5518 C CD . LYS C 3 308 ? 176.373 228.954 219.949 1 86.41 ? 308 E 1
+5519 C CE . LYS C 3 308 ? 175.618 229.875 220.892 1 86.41 ? 308 E 1
+5520 N NZ . LYS C 3 308 ? 174.981 231.01 220.168 1 86.41 ? 308 E 1
+5521 N N . GLY C 3 309 ? 180.236 224.516 219.215 1 82.1 ? 309 E 1
+5522 C CA . GLY C 3 309 ? 180.743 223.55 218.264 1 82.1 ? 309 E 1
+5523 C C . GLY C 3 309 ? 181.218 224.117 216.944 1 82.1 ? 309 E 1
+5524 O O . GLY C 3 309 ? 181.636 223.343 216.075 1 82.1 ? 309 E 1
+5525 N N . GLU C 3 310 ? 181.18 225.446 216.813 1 79.52 ? 310 E 1
+5526 C CA . GLU C 3 310 ? 181.666 226.105 215.575 1 79.52 ? 310 E 1
+5527 C C . GLU C 3 310 ? 183.18 225.926 215.47 1 79.52 ? 310 E 1
+5528 O O . GLU C 3 310 ? 183.836 225.84 216.525 1 79.52 ? 310 E 1
+5529 C CB . GLU C 3 310 ? 181.316 227.592 215.584 1 79.52 ? 310 E 1
+5530 C CG . GLU C 3 310 ? 179.828 227.857 215.71 1 79.52 ? 310 E 1
+5531 C CD . GLU C 3 310 ? 179.462 229.328 215.803 1 79.52 ? 310 E 1
+5532 O OE1 . GLU C 3 310 ? 180.387 230.163 215.842 1 79.52 ? 310 E 1
+5533 O OE2 . GLU C 3 310 ? 178.254 229.635 215.837 1 79.52 ? 310 E 1
+5534 N N . LYS C 3 311 ? 183.705 225.87 214.247 1 69.96 ? 311 E 1
+5535 C CA . LYS C 3 311 ? 185.138 225.736 214.02 1 69.96 ? 311 E 1
+5536 C C . LYS C 3 311 ? 185.632 226.875 213.137 1 69.96 ? 311 E 1
+5537 O O . LYS C 3 311 ? 184.965 227.248 212.167 1 69.96 ? 311 E 1
+5538 C CB . LYS C 3 311 ? 185.459 224.385 213.379 1 69.96 ? 311 E 1
+5539 C CG . LYS C 3 311 ? 185.143 223.194 214.269 1 69.96 ? 311 E 1
+5540 C CD . LYS C 3 311 ? 185.507 221.883 213.593 1 69.96 ? 311 E 1
+5541 C CE . LYS C 3 311 ? 184.63 221.624 212.38 1 69.96 ? 311 E 1
+5542 N NZ . LYS C 3 311 ? 183.202 221.445 212.761 1 69.96 ? 311 E 1
+5543 N N . PHE C 3 312 ? 186.798 227.422 213.477 1 59.43 ? 312 E 1
+5544 C CA . PHE C 3 312 ? 187.384 228.555 212.765 1 59.43 ? 312 E 1
+5545 C C . PHE C 3 312 ? 188.863 228.272 212.539 1 59.43 ? 312 E 1
+5546 O O . PHE C 3 312 ? 189.56 227.828 213.458 1 59.43 ? 312 E 1
+5547 C CB . PHE C 3 312 ? 187.193 229.852 213.549 1 59.43 ? 312 E 1
+5548 C CG . PHE C 3 312 ? 185.763 230.283 213.666 1 59.43 ? 312 E 1
+5549 C CD1 . PHE C 3 312 ? 185.205 231.138 212.734 1 59.43 ? 312 E 1
+5550 C CD2 . PHE C 3 312 ? 184.973 229.824 214.704 1 59.43 ? 312 E 1
+5551 C CE1 . PHE C 3 312 ? 183.888 231.535 212.842 1 59.43 ? 312 E 1
+5552 C CE2 . PHE C 3 312 ? 183.656 230.215 214.816 1 59.43 ? 312 E 1
+5553 C CZ . PHE C 3 312 ? 183.112 231.072 213.884 1 59.43 ? 312 E 1
+5554 N N . VAL C 3 313 ? 189.341 228.538 211.324 1 69.22 ? 313 E 1
+5555 C CA . VAL C 3 313 ? 190.714 228.249 210.924 1 69.22 ? 313 E 1
+5556 C C . VAL C 3 313 ? 191.306 229.472 210.236 1 69.22 ? 313 E 1
+5557 O O . VAL C 3 313 ? 190.636 230.122 209.423 1 69.22 ? 313 E 1
+5558 C CB . VAL C 3 313 ? 190.775 227.023 209.996 1 69.22 ? 313 E 1
+5559 C CG1 . VAL C 3 313 ? 192.211 226.71 209.627 1 69.22 ? 313 E 1
+5560 C CG2 . VAL C 3 313 ? 190.124 225.818 210.655 1 69.22 ? 313 E 1
+5561 N N . MET C 3 314 ? 192.559 229.787 210.56 1 86.64 ? 314 E 1
+5562 C CA . MET C 3 314 ? 193.336 230.783 209.824 1 86.64 ? 314 E 1
+5563 C C . MET C 3 314 ? 193.954 230.162 208.58 1 86.64 ? 314 E 1
+5564 O O . MET C 3 314 ? 194.701 229.182 208.667 1 86.64 ? 314 E 1
+5565 C CB . MET C 3 314 ? 194.43 231.395 210.692 1 86.64 ? 314 E 1
+5566 C CG . MET C 3 314 ? 193.959 232.291 211.796 1 86.64 ? 314 E 1
+5567 S SD . MET C 3 314 ? 195.196 233.595 211.943 1 86.64 ? 314 E 1
+5568 C CE . MET C 3 314 ? 194.589 234.78 210.743 1 86.64 ? 314 E 1
+5569 N N . GLN C 3 315 ? 193.642 230.742 207.422 1 92.82 ? 315 E 1
+5570 C CA . GLN C 3 315 ? 194.427 230.47 206.224 1 92.82 ? 315 E 1
+5571 C C . GLN C 3 315 ? 195.755 231.218 206.267 1 92.82 ? 315 E 1
+5572 O O . GLN C 3 315 ? 196.748 230.768 205.683 1 92.82 ? 315 E 1
+5573 C CB . GLN C 3 315 ? 193.626 230.853 204.979 1 92.82 ? 315 E 1
+5574 C CG . GLN C 3 315 ? 192.38 230.003 204.739 1 92.82 ? 315 E 1
+5575 C CD . GLN C 3 315 ? 192.687 228.524 204.559 1 92.82 ? 315 E 1
+5576 O OE1 . GLN C 3 315 ? 193.667 228.152 203.914 1 92.82 ? 315 E 1
+5577 N NE2 . GLN C 3 315 ? 191.848 227.674 205.139 1 92.82 ? 315 E 1
+5578 N N . GLU C 3 316 ? 195.79 232.356 206.958 1 95.54 ? 316 E 1
+5579 C CA . GLU C 3 316 ? 196.984 233.188 206.997 1 95.54 ? 316 E 1
+5580 C C . GLU C 3 316 ? 198.046 232.575 207.904 1 95.54 ? 316 E 1
+5581 O O . GLU C 3 316 ? 197.743 231.964 208.932 1 95.54 ? 316 E 1
+5582 C CB . GLU C 3 316 ? 196.63 234.598 207.477 1 95.54 ? 316 E 1
+5583 C CG . GLU C 3 316 ? 197.79 235.584 207.462 1 95.54 ? 316 E 1
+5584 C CD . GLU C 3 316 ? 197.356 237.001 207.783 1 95.54 ? 316 E 1
+5585 O OE1 . GLU C 3 316 ? 196.149 237.215 208.024 1 95.54 ? 316 E 1
+5586 O OE2 . GLU C 3 316 ? 198.221 237.903 207.795 1 95.54 ? 316 E 1
+5587 N N . GLU C 3 317 ? 199.304 232.743 207.506 1 102.04 ? 317 E 1
+5588 C CA . GLU C 3 317 ? 200.422 232.255 208.301 1 102.04 ? 317 E 1
+5589 C C . GLU C 3 317 ? 200.509 233.005 209.624 1 102.04 ? 317 E 1
+5590 O O . GLU C 3 317 ? 200.203 234.199 209.703 1 102.04 ? 317 E 1
+5591 C CB . GLU C 3 317 ? 201.729 232.406 207.525 1 102.04 ? 317 E 1
+5592 N N . PHE C 3 318 ? 200.931 232.297 210.668 1 97.66 ? 318 E 1
+5593 C CA . PHE C 3 318 ? 201.048 232.879 212.001 1 97.66 ? 318 E 1
+5594 C C . PHE C 3 318 ? 202.326 233.707 212.06 1 97.66 ? 318 E 1
+5595 O O . PHE C 3 318 ? 203.425 233.161 212.205 1 97.66 ? 318 E 1
+5596 C CB . PHE C 3 318 ? 201.044 231.781 213.06 1 97.66 ? 318 E 1
+5597 C CG . PHE C 3 318 ? 200.901 232.291 214.463 1 97.66 ? 318 E 1
+5598 C CD1 . PHE C 3 318 ? 199.67 232.71 214.937 1 97.66 ? 318 E 1
+5599 C CD2 . PHE C 3 318 ? 201.993 232.347 215.31 1 97.66 ? 318 E 1
+5600 C CE1 . PHE C 3 318 ? 199.533 233.178 216.227 1 97.66 ? 318 E 1
+5601 C CE2 . PHE C 3 318 ? 201.861 232.815 216.603 1 97.66 ? 318 E 1
+5602 C CZ . PHE C 3 318 ? 200.629 233.231 217.062 1 97.66 ? 318 E 1
+5603 N N . SER C 3 319 ? 202.185 235.024 211.945 1 99.12 ? 319 E 1
+5604 C CA . SER C 3 319 ? 203.331 235.917 211.883 1 99.12 ? 319 E 1
+5605 C C . SER C 3 319 ? 204.068 235.964 213.216 1 99.12 ? 319 E 1
+5606 O O . SER C 3 319 ? 203.466 235.875 214.289 1 99.12 ? 319 E 1
+5607 C CB . SER C 3 319 ? 202.89 237.327 211.49 1 99.12 ? 319 E 1
+5608 O OG . SER C 3 319 ? 202.156 237.941 212.535 1 99.12 ? 319 E 1
+5609 N N . ARG C 3 320 ? 205.393 236.105 213.133 1 99.56 ? 320 E 1
+5610 C CA . ARG C 3 320 ? 206.202 236.265 214.335 1 99.56 ? 320 E 1
+5611 C C . ARG C 3 320 ? 205.921 237.583 215.042 1 99.56 ? 320 E 1
+5612 O O . ARG C 3 320 ? 206.172 237.695 216.246 1 99.56 ? 320 E 1
+5613 C CB . ARG C 3 320 ? 207.688 236.167 213.987 1 99.56 ? 320 E 1
+5614 C CG . ARG C 3 320 ? 208.138 234.776 213.57 1 99.56 ? 320 E 1
+5615 C CD . ARG C 3 320 ? 209.632 234.742 213.289 1 99.56 ? 320 E 1
+5616 N NE . ARG C 3 320 ? 210.073 233.431 212.83 1 99.56 ? 320 E 1
+5617 C CZ . ARG C 3 320 ? 210.474 232.451 213.629 1 99.56 ? 320 E 1
+5618 N NH1 . ARG C 3 320 ? 210.511 232.602 214.942 1 99.56 ? 320 E 1
+5619 N NH2 . ARG C 3 320 ? 210.851 231.293 213.096 1 99.56 ? 320 E 1
+5620 N N . ASP C 3 321 ? 205.421 238.587 214.32 1 103.36 ? 321 E 1
+5621 C CA . ASP C 3 321 ? 205.057 239.85 214.95 1 103.36 ? 321 E 1
+5622 C C . ASP C 3 321 ? 203.765 239.728 215.748 1 103.36 ? 321 E 1
+5623 O O . ASP C 3 321 ? 203.569 240.462 216.723 1 103.36 ? 321 E 1
+5624 C CB . ASP C 3 321 ? 204.922 240.943 213.887 1 103.36 ? 321 E 1
+5625 C CG . ASP C 3 321 ? 206.258 241.36 213.297 1 103.36 ? 321 E 1
+5626 O OD1 . ASP C 3 321 ? 207.309 241.029 213.882 1 103.36 ? 321 E 1
+5627 O OD2 . ASP C 3 321 ? 206.255 242.023 212.238 1 103.36 ? 321 E 1
+5628 N N . GLY C 3 322 ? 202.884 238.806 215.363 1 102.15 ? 322 E 1
+5629 C CA . GLY C 3 322 ? 201.606 238.631 216.016 1 102.15 ? 322 E 1
+5630 C C . GLY C 3 322 ? 200.46 239.389 215.381 1 102.15 ? 322 E 1
+5631 O O . GLY C 3 322 ? 199.354 239.381 215.934 1 102.15 ? 322 E 1
+5632 N N . LYS C 3 323 ? 200.693 240.046 214.241 1 96.87 ? 323 E 1
+5633 C CA . LYS C 3 323 ? 199.619 240.772 213.572 1 96.87 ? 323 E 1
+5634 C C . LYS C 3 323 ? 198.517 239.827 213.11 1 96.87 ? 323 E 1
+5635 O O . LYS C 3 323 ? 197.329 240.158 213.197 1 96.87 ? 323 E 1
+5636 C CB . LYS C 3 323 ? 200.179 241.564 212.39 1 96.87 ? 323 E 1
+5637 N N . ALA C 3 324 ? 198.892 238.648 212.611 1 95.72 ? 324 E 1
+5638 C CA . ALA C 3 324 ? 197.896 237.683 212.158 1 95.72 ? 324 E 1
+5639 C C . ALA C 3 324 ? 197.019 237.215 213.313 1 95.72 ? 324 E 1
+5640 O O . ALA C 3 324 ? 195.803 237.051 213.158 1 95.72 ? 324 E 1
+5641 C CB . ALA C 3 324 ? 198.586 236.496 211.487 1 95.72 ? 324 E 1
+5642 N N . LEU C 3 325 ? 197.622 236.996 214.485 1 99.96 ? 325 E 1
+5643 C CA . LEU C 3 325 ? 196.858 236.523 215.636 1 99.96 ? 325 E 1
+5644 C C . LEU C 3 325 ? 195.813 237.544 216.069 1 99.96 ? 325 E 1
+5645 O O . LEU C 3 325 ? 194.64 237.2 216.261 1 99.96 ? 325 E 1
+5646 C CB . LEU C 3 325 ? 197.802 236.201 216.794 1 99.96 ? 325 E 1
+5647 N N . GLU C 3 326 ? 196.218 238.806 216.23 1 99.67 ? 326 E 1
+5648 C CA . GLU C 3 326 ? 195.269 239.834 216.646 1 99.67 ? 326 E 1
+5649 C C . GLU C 3 326 ? 194.236 240.092 215.557 1 99.67 ? 326 E 1
+5650 O O . GLU C 3 326 ? 193.064 240.366 215.847 1 99.67 ? 326 E 1
+5651 C CB . GLU C 3 326 ? 196.012 241.119 217.02 1 99.67 ? 326 E 1
+5652 C CG . GLU C 3 326 ? 196.781 241.773 215.886 1 99.67 ? 326 E 1
+5653 C CD . GLU C 3 326 ? 197.591 242.969 216.343 1 99.67 ? 326 E 1
+5654 O OE1 . GLU C 3 326 ? 197.306 243.5 217.436 1 99.67 ? 326 E 1
+5655 O OE2 . GLU C 3 326 ? 198.516 243.376 215.61 1 99.67 ? 326 E 1
+5656 N N . ARG C 3 327 ? 194.65 239.991 214.291 1 95.66 ? 327 E 1
+5657 C CA . ARG C 3 327 ? 193.71 240.137 213.186 1 95.66 ? 327 E 1
+5658 C C . ARG C 3 327 ? 192.631 239.065 213.247 1 95.66 ? 327 E 1
+5659 O O . ARG C 3 327 ? 191.438 239.357 213.106 1 95.66 ? 327 E 1
+5660 C CB . ARG C 3 327 ? 194.46 240.073 211.855 1 95.66 ? 327 E 1
+5661 C CG . ARG C 3 327 ? 193.66 240.554 210.658 1 95.66 ? 327 E 1
+5662 C CD . ARG C 3 327 ? 194.55 240.712 209.436 1 95.66 ? 327 E 1
+5663 N NE . ARG C 3 327 ? 195.781 241.429 209.746 1 95.66 ? 327 E 1
+5664 C CZ . ARG C 3 327 ? 195.9 242.75 209.746 1 95.66 ? 327 E 1
+5665 N NH1 . ARG C 3 327 ? 194.876 243.536 209.455 1 95.66 ? 327 E 1
+5666 N NH2 . ARG C 3 327 ? 197.075 243.295 210.046 1 95.66 ? 327 E 1
+5667 N N . PHE C 3 328 ? 193.032 237.814 213.476 1 91.24 ? 328 E 1
+5668 C CA . PHE C 3 328 ? 192.056 236.735 213.569 1 91.24 ? 328 E 1
+5669 C C . PHE C 3 328 ? 191.174 236.897 214.797 1 91.24 ? 328 E 1
+5670 O O . PHE C 3 328 ? 189.976 236.601 214.75 1 91.24 ? 328 E 1
+5671 C CB . PHE C 3 328 ? 192.765 235.385 213.601 1 91.24 ? 328 E 1
+5672 C CG . PHE C 3 328 ? 191.837 234.215 213.737 1 91.24 ? 328 E 1
+5673 C CD1 . PHE C 3 328 ? 190.69 234.132 212.967 1 91.24 ? 328 E 1
+5674 C CD2 . PHE C 3 328 ? 192.123 233.187 214.615 1 91.24 ? 328 E 1
+5675 C CE1 . PHE C 3 328 ? 189.838 233.055 213.084 1 91.24 ? 328 E 1
+5676 C CE2 . PHE C 3 328 ? 191.28 232.107 214.731 1 91.24 ? 328 E 1
+5677 C CZ . PHE C 3 328 ? 190.134 232.041 213.968 1 91.24 ? 328 E 1
+5678 N N . LEU C 3 329 ? 191.752 237.355 215.909 1 94.1 ? 329 E 1
+5679 C CA . LEU C 3 329 ? 190.955 237.569 217.111 1 94.1 ? 329 E 1
+5680 C C . LEU C 3 329 ? 189.875 238.618 216.876 1 94.1 ? 329 E 1
+5681 O O . LEU C 3 329 ? 188.711 238.416 217.242 1 94.1 ? 329 E 1
+5682 C CB . LEU C 3 329 ? 191.86 237.973 218.274 1 94.1 ? 329 E 1
+5683 N N . GLN C 3 330 ? 190.233 239.739 216.241 1 94.78 ? 330 E 1
+5684 C CA . GLN C 3 330 ? 189.238 240.781 216.006 1 94.78 ? 330 E 1
+5685 C C . GLN C 3 330 ? 188.238 240.36 214.934 1 94.78 ? 330 E 1
+5686 O O . GLN C 3 330 ? 187.068 240.756 214.982 1 94.78 ? 330 E 1
+5687 C CB . GLN C 3 330 ? 189.914 242.107 215.645 1 94.78 ? 330 E 1
+5688 C CG . GLN C 3 330 ? 188.998 243.307 215.514 1 94.78 ? 330 E 1
+5689 C CD . GLN C 3 330 ? 189.753 244.605 215.324 1 94.78 ? 330 E 1
+5690 O OE1 . GLN C 3 330 ? 190.982 244.637 215.378 1 94.78 ? 330 E 1
+5691 N NE2 . GLN C 3 330 ? 189.019 245.685 215.089 1 94.78 ? 330 E 1
+5692 N N . ASP C 3 331 ? 188.671 239.547 213.965 1 92.62 ? 331 E 1
+5693 C CA . ASP C 3 331 ? 187.731 238.998 212.992 1 92.62 ? 331 E 1
+5694 C C . ASP C 3 331 ? 186.704 238.1 213.67 1 92.62 ? 331 E 1
+5695 O O . ASP C 3 331 ? 185.499 238.207 213.412 1 92.62 ? 331 E 1
+5696 C CB . ASP C 3 331 ? 188.482 238.223 211.906 1 92.62 ? 331 E 1
+5697 C CG . ASP C 3 331 ? 189.343 239.116 211.037 1 92.62 ? 331 E 1
+5698 O OD1 . ASP C 3 331 ? 189.094 240.339 211.007 1 92.62 ? 331 E 1
+5699 O OD2 . ASP C 3 331 ? 190.272 238.595 210.385 1 92.62 ? 331 E 1
+5700 N N . TYR C 3 332 ? 187.167 237.203 214.543 1 86.39 ? 332 E 1
+5701 C CA . TYR C 3 332 ? 186.258 236.309 215.251 1 86.39 ? 332 E 1
+5702 C C . TYR C 3 332 ? 185.316 237.089 216.156 1 86.39 ? 332 E 1
+5703 O O . TYR C 3 332 ? 184.123 236.776 216.251 1 86.39 ? 332 E 1
+5704 C CB . TYR C 3 332 ? 187.056 235.287 216.062 1 86.39 ? 332 E 1
+5705 C CG . TYR C 3 332 ? 186.245 234.592 217.132 1 86.39 ? 332 E 1
+5706 C CD1 . TYR C 3 332 ? 185.34 233.592 216.806 1 86.39 ? 332 E 1
+5707 C CD2 . TYR C 3 332 ? 186.384 234.938 218.468 1 86.39 ? 332 E 1
+5708 C CE1 . TYR C 3 332 ? 184.6 232.957 217.779 1 86.39 ? 332 E 1
+5709 C CE2 . TYR C 3 332 ? 185.648 234.309 219.447 1 86.39 ? 332 E 1
+5710 C CZ . TYR C 3 332 ? 184.757 233.32 219.097 1 86.39 ? 332 E 1
+5711 O OH . TYR C 3 332 ? 184.021 232.69 220.073 1 86.39 ? 332 E 1
+5712 N N . PHE C 3 333 ? 185.839 238.107 216.842 1 95 ? 333 E 1
+5713 C CA . PHE C 3 333 ? 184.989 238.916 217.709 1 95 ? 333 E 1
+5714 C C . PHE C 3 333 ? 183.946 239.672 216.897 1 95 ? 333 E 1
+5715 O O . PHE C 3 333 ? 182.792 239.804 217.322 1 95 ? 333 E 1
+5716 C CB . PHE C 3 333 ? 185.849 239.87 218.535 1 95 ? 333 E 1
+5717 C CG . PHE C 3 333 ? 186.6 239.189 219.642 1 95 ? 333 E 1
+5718 C CD1 . PHE C 3 333 ? 186.037 238.118 220.317 1 95 ? 333 E 1
+5719 C CD2 . PHE C 3 333 ? 187.871 239.606 220.001 1 95 ? 333 E 1
+5720 C CE1 . PHE C 3 333 ? 186.722 237.481 221.332 1 95 ? 333 E 1
+5721 C CE2 . PHE C 3 333 ? 188.562 238.971 221.016 1 95 ? 333 E 1
+5722 C CZ . PHE C 3 333 ? 187.987 237.907 221.681 1 95 ? 333 E 1
+5723 N N . ASP C 3 334 ? 184.332 240.175 215.722 1 91.3 ? 334 E 1
+5724 C CA . ASP C 3 334 ? 183.349 240.735 214.802 1 91.3 ? 334 E 1
+5725 C C . ASP C 3 334 ? 182.415 239.652 214.275 1 91.3 ? 334 E 1
+5726 O O . ASP C 3 334 ? 181.204 239.87 214.153 1 91.3 ? 334 E 1
+5727 C CB . ASP C 3 334 ? 184.055 241.445 213.647 1 91.3 ? 334 E 1
+5728 N N . GLY C 3 335 ? 182.959 238.478 213.959 1 85.19 ? 335 E 1
+5729 C CA . GLY C 3 335 ? 182.154 237.374 213.474 1 85.19 ? 335 E 1
+5730 C C . GLY C 3 335 ? 181.919 237.403 211.979 1 85.19 ? 335 E 1
+5731 O O . GLY C 3 335 ? 180.77 237.427 211.527 1 85.19 ? 335 E 1
+5732 N N . ASN C 3 336 ? 182.996 237.403 211.196 1 82.47 ? 336 E 1
+5733 C CA . ASN C 3 336 ? 182.896 237.469 209.743 1 82.47 ? 336 E 1
+5734 C C . ASN C 3 336 ? 183.238 236.154 209.061 1 82.47 ? 336 E 1
+5735 O O . ASN C 3 336 ? 182.542 235.752 208.122 1 82.47 ? 336 E 1
+5736 C CB . ASN C 3 336 ? 183.795 238.597 209.202 1 82.47 ? 336 E 1
+5737 C CG . ASN C 3 336 ? 183.267 239.986 209.526 1 82.47 ? 336 E 1
+5738 O OD1 . ASN C 3 336 ? 182.075 240.174 209.768 1 82.47 ? 336 E 1
+5739 N ND2 . ASN C 3 336 ? 184.162 240.966 209.537 1 82.47 ? 336 E 1
+5740 N N . LEU C 3 337 ? 184.293 235.472 209.502 1 69.77 ? 337 E 1
+5741 C CA . LEU C 3 337 ? 184.734 234.263 208.821 1 69.77 ? 337 E 1
+5742 C C . LEU C 3 337 ? 183.702 233.153 208.999 1 69.77 ? 337 E 1
+5743 O O . LEU C 3 337 ? 183.129 232.971 210.076 1 69.77 ? 337 E 1
+5744 C CB . LEU C 3 337 ? 186.097 233.822 209.363 1 69.77 ? 337 E 1
+5745 C CG . LEU C 3 337 ? 186.723 232.478 208.967 1 69.77 ? 337 E 1
+5746 C CD1 . LEU C 3 337 ? 186.585 232.185 207.475 1 69.77 ? 337 E 1
+5747 C CD2 . LEU C 3 337 ? 188.185 232.435 209.385 1 69.77 ? 337 E 1
+5748 N N . LYS C 3 338 ? 183.47 232.407 207.923 1 56.18 ? 338 E 1
+5749 C CA . LYS C 3 338 ? 182.477 231.344 207.912 1 56.18 ? 338 E 1
+5750 C C . LYS C 3 338 ? 183.028 230.096 208.587 1 56.18 ? 338 E 1
+5751 O O . LYS C 3 338 ? 184.226 229.81 208.507 1 56.18 ? 338 E 1
+5752 C CB . LYS C 3 338 ? 182.055 231.022 206.477 1 56.18 ? 338 E 1
+5753 C CG . LYS C 3 338 ? 181.291 232.138 205.784 1 56.18 ? 338 E 1
+5754 C CD . LYS C 3 338 ? 180.927 231.76 204.361 1 56.18 ? 338 E 1
+5755 C CE . LYS C 3 338 ? 180.142 232.87 203.682 1 56.18 ? 338 E 1
+5756 N NZ . LYS C 3 338 ? 179.796 232.527 202.276 1 56.18 ? 338 E 1
+5757 N N . ARG C 3 339 ? 182.128 229.387 209.273 1 59.28 ? 339 E 1
+5758 C CA . ARG C 3 339 ? 182.525 228.133 209.951 1 59.28 ? 339 E 1
+5759 C C . ARG C 3 339 ? 183.2 227.226 208.93 1 59.28 ? 339 E 1
+5760 O O . ARG C 3 339 ? 182.657 227.074 207.822 1 59.28 ? 339 E 1
+5761 C CB . ARG C 3 339 ? 181.298 227.427 210.53 1 59.28 ? 339 E 1
+5762 C CG . ARG C 3 339 ? 180.51 228.248 211.537 1 59.28 ? 339 E 1
+5763 C CD . ARG C 3 339 ? 179.426 227.377 212.14 1 59.28 ? 339 E 1
+5764 N NE . ARG C 3 339 ? 179.989 226.122 212.617 1 59.28 ? 339 E 1
+5765 C CZ . ARG C 3 339 ? 179.3 225.174 213.242 1 59.28 ? 339 E 1
+5766 N NH1 . ARG C 3 339 ? 178.009 225.338 213.474 1 59.28 ? 339 E 1
+5767 N NH2 . ARG C 3 339 ? 179.906 224.069 213.638 1 59.28 ? 339 E 1
+5768 N N . TYR C 3 340 ? 184.336 226.65 209.299 1 56.99 ? 340 E 1
+5769 C CA . TYR C 3 340 ? 185.047 225.733 208.417 1 56.99 ? 340 E 1
+5770 C C . TYR C 3 340 ? 184.419 224.35 208.506 1 56.99 ? 340 E 1
+5771 O O . TYR C 3 340 ? 184.572 223.652 209.513 1 56.99 ? 340 E 1
+5772 C CB . TYR C 3 340 ? 186.526 225.672 208.776 1 56.99 ? 340 E 1
+5773 C CG . TYR C 3 340 ? 187.249 224.543 208.079 1 56.99 ? 340 E 1
+5774 C CD1 . TYR C 3 340 ? 187.55 224.621 206.727 1 56.99 ? 340 E 1
+5775 C CD2 . TYR C 3 340 ? 187.612 223.393 208.765 1 56.99 ? 340 E 1
+5776 C CE1 . TYR C 3 340 ? 188.204 223.593 206.08 1 56.99 ? 340 E 1
+5777 C CE2 . TYR C 3 340 ? 188.263 222.358 208.125 1 56.99 ? 340 E 1
+5778 C CZ . TYR C 3 340 ? 188.559 222.464 206.784 1 56.99 ? 340 E 1
+5779 O OH . TYR C 3 340 ? 189.21 221.436 206.142 1 56.99 ? 340 E 1
+5780 N N . LEU C 3 341 ? 183.711 223.952 207.455 1 57.02 ? 341 E 1
+5781 C CA . LEU C 3 341 ? 183.193 222.601 207.312 1 57.02 ? 341 E 1
+5782 C C . LEU C 3 341 ? 183.933 221.92 206.172 1 57.02 ? 341 E 1
+5783 O O . LEU C 3 341 ? 184.26 222.561 205.168 1 57.02 ? 341 E 1
+5784 C CB . LEU C 3 341 ? 181.685 222.606 207.044 1 57.02 ? 341 E 1
+5785 C CG . LEU C 3 341 ? 180.817 223.238 208.133 1 57.02 ? 341 E 1
+5786 C CD1 . LEU C 3 341 ? 179.398 223.447 207.636 1 57.02 ? 341 E 1
+5787 C CD2 . LEU C 3 341 ? 180.825 222.38 209.387 1 57.02 ? 341 E 1
+5788 N N . LYS C 3 342 ? 184.216 220.63 206.34 1 46.3 ? 342 E 1
+5789 C CA . LYS C 3 342 ? 184.957 219.884 205.33 1 46.3 ? 342 E 1
+5790 C C . LYS C 3 342 ? 184.269 219.997 203.981 1 46.3 ? 342 E 1
+5791 O O . LYS C 3 342 ? 183.153 219.504 203.799 1 46.3 ? 342 E 1
+5792 C CB . LYS C 3 342 ? 185.076 218.416 205.744 1 46.3 ? 342 E 1
+5793 C CG . LYS C 3 342 ? 185.981 217.594 204.841 1 46.3 ? 342 E 1
+5794 C CD . LYS C 3 342 ? 185.639 216.115 204.913 1 46.3 ? 342 E 1
+5795 C CE . LYS C 3 342 ? 185.612 215.62 206.35 1 46.3 ? 342 E 1
+5796 N NZ . LYS C 3 342 ? 185.388 214.151 206.427 1 46.3 ? 342 E 1
+5797 N N . SER C 3 343 ? 184.934 220.659 203.038 1 49.21 ? 343 E 1
+5798 C CA . SER C 3 343 ? 184.337 220.935 201.737 1 49.21 ? 343 E 1
+5799 C C . SER C 3 343 ? 185.407 220.824 200.665 1 49.21 ? 343 E 1
+5800 O O . SER C 3 343 ? 186.491 221.395 200.811 1 49.21 ? 343 E 1
+5801 C CB . SER C 3 343 ? 183.697 222.323 201.709 1 49.21 ? 343 E 1
+5802 O OG . SER C 3 343 ? 184.658 223.329 201.972 1 49.21 ? 343 E 1
+5803 N N . GLU C 3 344 ? 185.103 220.094 199.601 1 49.84 ? 344 E 1
+5804 C CA . GLU C 3 344 ? 186 220.038 198.46 1 49.84 ? 344 E 1
+5805 C C . GLU C 3 344 ? 186.069 221.415 197.806 1 49.84 ? 344 E 1
+5806 O O . GLU C 3 344 ? 185.089 222.17 197.863 1 49.84 ? 344 E 1
+5807 C CB . GLU C 3 344 ? 185.52 218.995 197.451 1 49.84 ? 344 E 1
+5808 C CG . GLU C 3 344 ? 184.1 219.222 196.955 1 49.84 ? 344 E 1
+5809 C CD . GLU C 3 344 ? 183.834 218.566 195.614 1 49.84 ? 344 E 1
+5810 O OE1 . GLU C 3 344 ? 184.763 217.942 195.06 1 49.84 ? 344 E 1
+5811 O OE2 . GLU C 3 344 ? 182.695 218.675 195.114 1 49.84 ? 344 E 1
+5812 N N . PRO C 3 345 ? 187.204 221.791 197.206 1 55.07 ? 345 E 1
+5813 C CA . PRO C 3 345 ? 187.279 223.087 196.518 1 55.07 ? 345 E 1
+5814 C C . PRO C 3 345 ? 186.232 223.21 195.424 1 55.07 ? 345 E 1
+5815 O O . PRO C 3 345 ? 186.275 222.481 194.428 1 55.07 ? 345 E 1
+5816 C CB . PRO C 3 345 ? 188.701 223.098 195.945 1 55.07 ? 345 E 1
+5817 C CG . PRO C 3 345 ? 189.466 222.167 196.828 1 55.07 ? 345 E 1
+5818 C CD . PRO C 3 345 ? 188.495 221.082 197.189 1 55.07 ? 345 E 1
+5819 N N . ILE C 3 346 ? 185.287 224.127 195.606 1 60.82 ? 346 E 1
+5820 C CA . ILE C 3 346 ? 184.179 224.246 194.653 1 60.82 ? 346 E 1
+5821 C C . ILE C 3 346 ? 184.711 224.743 193.314 1 60.82 ? 346 E 1
+5822 O O . ILE C 3 346 ? 185.569 225.648 193.281 1 60.82 ? 346 E 1
+5823 C CB . ILE C 3 346 ? 183.086 225.182 195.206 1 60.82 ? 346 E 1
+5824 C CG1 . ILE C 3 346 ? 181.838 225.137 194.319 1 60.82 ? 346 E 1
+5825 C CG2 . ILE C 3 346 ? 183.609 226.603 195.378 1 60.82 ? 346 E 1
+5826 C CD1 . ILE C 3 346 ? 180.607 225.746 194.952 1 60.82 ? 346 E 1
+5827 N N . PRO C 3 347 ? 184.284 224.17 192.191 1 70.28 ? 347 E 1
+5828 C CA . PRO C 3 347 ? 184.699 224.709 190.893 1 70.28 ? 347 E 1
+5829 C C . PRO C 3 347 ? 183.933 225.979 190.559 1 70.28 ? 347 E 1
+5830 O O . PRO C 3 347 ? 182.74 226.1 190.845 1 70.28 ? 347 E 1
+5831 C CB . PRO C 3 347 ? 184.362 223.579 189.916 1 70.28 ? 347 E 1
+5832 C CG . PRO C 3 347 ? 183.238 222.85 190.573 1 70.28 ? 347 E 1
+5833 C CD . PRO C 3 347 ? 183.497 222.932 192.053 1 70.28 ? 347 E 1
+5834 N N . GLU C 3 348 ? 184.638 226.935 189.951 1 76.1 ? 348 E 1
+5835 C CA . GLU C 3 348 ? 183.975 228.147 189.485 1 76.1 ? 348 E 1
+5836 C C . GLU C 3 348 ? 183.025 227.853 188.332 1 76.1 ? 348 E 1
+5837 O O . GLU C 3 348 ? 182.114 228.644 188.061 1 76.1 ? 348 E 1
+5838 C CB . GLU C 3 348 ? 185.013 229.188 189.068 1 76.1 ? 348 E 1
+5839 N N . SER C 3 349 ? 183.221 226.727 187.643 1 73.53 ? 349 E 1
+5840 C CA . SER C 3 349 ? 182.364 226.327 186.528 1 73.53 ? 349 E 1
+5841 C C . SER C 3 349 ? 181.178 225.522 187.061 1 73.53 ? 349 E 1
+5842 O O . SER C 3 349 ? 181.07 224.306 186.889 1 73.53 ? 349 E 1
+5843 C CB . SER C 3 349 ? 183.161 225.533 185.504 1 73.53 ? 349 E 1
+5844 O OG . SER C 3 349 ? 183.77 224.402 186.104 1 73.53 ? 349 E 1
+5845 N N . ASN C 3 350 ? 180.269 226.235 187.727 1 65.26 ? 350 E 1
+5846 C CA . ASN C 3 350 ? 179.045 225.644 188.249 1 65.26 ? 350 E 1
+5847 C C . ASN C 3 350 ? 177.927 225.609 187.215 1 65.26 ? 350 E 1
+5848 O O . ASN C 3 350 ? 176.754 225.49 187.586 1 65.26 ? 350 E 1
+5849 C CB . ASN C 3 350 ? 178.582 226.396 189.498 1 65.26 ? 350 E 1
+5850 C CG . ASN C 3 350 ? 179.272 225.913 190.758 1 65.26 ? 350 E 1
+5851 O OD1 . ASN C 3 350 ? 179.88 224.843 190.775 1 65.26 ? 350 E 1
+5852 N ND2 . ASN C 3 350 ? 179.176 226.698 191.825 1 65.26 ? 350 E 1
+5853 N N . ASP C 3 351 ? 178.263 225.713 185.933 1 70.1 ? 351 E 1
+5854 C CA . ASP C 3 351 ? 177.256 225.66 184.885 1 70.1 ? 351 E 1
+5855 C C . ASP C 3 351 ? 176.713 224.245 184.718 1 70.1 ? 351 E 1
+5856 O O . ASP C 3 351 ? 177.315 223.264 185.164 1 70.1 ? 351 E 1
+5857 C CB . ASP C 3 351 ? 177.834 226.174 183.563 1 70.1 ? 351 E 1
+5858 C CG . ASP C 3 351 ? 178.989 225.325 183.046 1 70.1 ? 351 E 1
+5859 O OD1 . ASP C 3 351 ? 179.39 224.352 183.719 1 70.1 ? 351 E 1
+5860 O OD2 . ASP C 3 351 ? 179.5 225.636 181.95 1 70.1 ? 351 E 1
+5861 N N . GLY C 3 352 ? 175.552 224.149 184.079 1 60.24 ? 352 E 1
+5862 C CA . GLY C 3 352 ? 174.928 222.874 183.826 1 60.24 ? 352 E 1
+5863 C C . GLY C 3 352 ? 173.472 222.855 184.239 1 60.24 ? 352 E 1
+5864 O O . GLY C 3 352 ? 172.992 223.742 184.952 1 60.24 ? 352 E 1
+5865 N N . PRO C 3 353 ? 172.734 221.842 183.779 1 47.93 ? 353 E 1
+5866 C CA . PRO C 3 353 ? 171.327 221.723 184.199 1 47.93 ? 353 E 1
+5867 C C . PRO C 3 353 ? 171.164 221.595 185.703 1 47.93 ? 353 E 1
+5868 O O . PRO C 3 353 ? 170.203 222.131 186.272 1 47.93 ? 353 E 1
+5869 C CB . PRO C 3 353 ? 170.854 220.466 183.455 1 47.93 ? 353 E 1
+5870 C CG . PRO C 3 353 ? 171.792 220.331 182.3 1 47.93 ? 353 E 1
+5871 C CD . PRO C 3 353 ? 173.115 220.796 182.817 1 47.93 ? 353 E 1
+5872 N N . VAL C 3 354 ? 172.082 220.897 186.367 1 43.11 ? 354 E 1
+5873 C CA . VAL C 3 354 ? 172.062 220.733 187.815 1 43.11 ? 354 E 1
+5874 C C . VAL C 3 354 ? 173.225 221.517 188.408 1 43.11 ? 354 E 1
+5875 O O . VAL C 3 354 ? 174.359 221.43 187.92 1 43.11 ? 354 E 1
+5876 C CB . VAL C 3 354 ? 172.12 219.246 188.212 1 43.11 ? 354 E 1
+5877 C CG1 . VAL C 3 354 ? 170.888 218.524 187.701 1 43.11 ? 354 E 1
+5878 C CG2 . VAL C 3 354 ? 173.37 218.581 187.655 1 43.11 ? 354 E 1
+5879 N N . LYS C 3 355 ? 172.94 222.309 189.436 1 35.5 ? 355 E 1
+5880 C CA . LYS C 3 355 ? 173.972 223.143 190.033 1 35.5 ? 355 E 1
+5881 C C . LYS C 3 355 ? 174.784 222.335 191.035 1 35.5 ? 355 E 1
+5882 O O . LYS C 3 355 ? 174.225 221.636 191.885 1 35.5 ? 355 E 1
+5883 C CB . LYS C 3 355 ? 173.345 224.362 190.705 1 35.5 ? 355 E 1
+5884 C CG . LYS C 3 355 ? 173.395 225.614 189.846 1 35.5 ? 355 E 1
+5885 C CD . LYS C 3 355 ? 173.009 226.854 190.63 1 35.5 ? 355 E 1
+5886 C CE . LYS C 3 355 ? 173.138 228.101 189.772 1 35.5 ? 355 E 1
+5887 N NZ . LYS C 3 355 ? 172.745 229.33 190.512 1 35.5 ? 355 E 1
+5888 N N . VAL C 3 356 ? 176.107 222.431 190.932 1 35.64 ? 356 E 1
+5889 C CA . VAL C 3 356 ? 177.008 221.675 191.794 1 35.64 ? 356 E 1
+5890 C C . VAL C 3 356 ? 177.179 222.451 193.095 1 35.64 ? 356 E 1
+5891 O O . VAL C 3 356 ? 177.885 223.46 193.141 1 35.64 ? 356 E 1
+5892 C CB . VAL C 3 356 ? 178.359 221.426 191.115 1 35.64 ? 356 E 1
+5893 C CG1 . VAL C 3 356 ? 179.272 220.628 192.031 1 35.64 ? 356 E 1
+5894 C CG2 . VAL C 3 356 ? 178.162 220.705 189.792 1 35.64 ? 356 E 1
+5895 N N . VAL C 3 357 ? 176.535 221.979 194.155 1 31.25 ? 357 E 1
+5896 C CA . VAL C 3 357 ? 176.579 222.624 195.462 1 31.25 ? 357 E 1
+5897 C C . VAL C 3 357 ? 177.626 221.931 196.318 1 31.25 ? 357 E 1
+5898 O O . VAL C 3 357 ? 177.774 220.703 196.274 1 31.25 ? 357 E 1
+5899 C CB . VAL C 3 357 ? 175.194 222.6 196.136 1 31.25 ? 357 E 1
+5900 C CG1 . VAL C 3 357 ? 175.298 222.952 197.609 1 31.25 ? 357 E 1
+5901 C CG2 . VAL C 3 357 ? 174.27 223.571 195.441 1 31.25 ? 357 E 1
+5902 N N . VAL C 3 358 ? 178.373 222.724 197.084 1 42.16 ? 358 E 1
+5903 C CA . VAL C 3 358 ? 179.365 222.231 198.026 1 42.16 ? 358 E 1
+5904 C C . VAL C 3 358 ? 179.058 222.872 199.374 1 42.16 ? 358 E 1
+5905 O O . VAL C 3 358 ? 178.386 223.903 199.456 1 42.16 ? 358 E 1
+5906 C CB . VAL C 3 358 ? 180.806 222.551 197.559 1 42.16 ? 358 E 1
+5907 C CG1 . VAL C 3 358 ? 181.85 221.938 198.482 1 42.16 ? 358 E 1
+5908 C CG2 . VAL C 3 358 ? 181.018 222.072 196.134 1 42.16 ? 358 E 1
+5909 N N . ALA C 3 359 ? 179.542 222.236 200.444 1 49.87 ? 359 E 1
+5910 C CA . ALA C 3 359 ? 179.339 222.781 201.784 1 49.87 ? 359 E 1
+5911 C C . ALA C 3 359 ? 179.95 224.17 201.917 1 49.87 ? 359 E 1
+5912 O O . ALA C 3 359 ? 179.567 224.943 202.802 1 49.87 ? 359 E 1
+5913 C CB . ALA C 3 359 ? 179.929 221.836 202.83 1 49.87 ? 359 E 1
+5914 N N . GLU C 3 360 ? 180.911 224.498 201.052 1 58.73 ? 360 E 1
+5915 C CA . GLU C 3 360 ? 181.52 225.824 201.059 1 58.73 ? 360 E 1
+5916 C C . GLU C 3 360 ? 180.5 226.908 200.72 1 58.73 ? 360 E 1
+5917 O O . GLU C 3 360 ? 180.409 227.933 201.403 1 58.73 ? 360 E 1
+5918 C CB . GLU C 3 360 ? 182.689 225.856 200.073 1 58.73 ? 360 E 1
+5919 C CG . GLU C 3 360 ? 183.577 227.081 200.192 1 58.73 ? 360 E 1
+5920 C CD . GLU C 3 360 ? 184.876 226.928 199.428 1 58.73 ? 360 E 1
+5921 O OE1 . GLU C 3 360 ? 185.153 225.811 198.944 1 58.73 ? 360 E 1
+5922 O OE2 . GLU C 3 360 ? 185.619 227.925 199.31 1 58.73 ? 360 E 1
+5923 N N . ASN C 3 361 ? 179.72 226.694 199.658 1 52.09 ? 361 E 1
+5924 C CA . ASN C 3 361 ? 178.766 227.683 199.171 1 52.09 ? 361 E 1
+5925 C C . ASN C 3 361 ? 177.321 227.224 199.324 1 52.09 ? 361 E 1
+5926 O O . ASN C 3 361 ? 176.445 227.665 198.57 1 52.09 ? 361 E 1
+5927 C CB . ASN C 3 361 ? 179.067 228.029 197.714 1 52.09 ? 361 E 1
+5928 C CG . ASN C 3 361 ? 180.337 228.841 197.565 1 52.09 ? 361 E 1
+5929 O OD1 . ASN C 3 361 ? 180.956 228.856 196.505 1 52.09 ? 361 E 1
+5930 N ND2 . ASN C 3 361 ? 180.735 229.518 198.636 1 52.09 ? 361 E 1
+5931 N N . PHE C 3 362 ? 177.057 226.345 200.293 1 42.55 ? 362 E 1
+5932 C CA . PHE C 3 362 ? 175.692 225.897 200.541 1 42.55 ? 362 E 1
+5933 C C . PHE C 3 362 ? 174.8 227.063 200.948 1 42.55 ? 362 E 1
+5934 O O . PHE C 3 362 ? 173.649 227.157 200.507 1 42.55 ? 362 E 1
+5935 C CB . PHE C 3 362 ? 175.7 224.812 201.617 1 42.55 ? 362 E 1
+5936 C CG . PHE C 3 362 ? 174.382 224.115 201.799 1 42.55 ? 362 E 1
+5937 C CD1 . PHE C 3 362 ? 173.36 224.702 202.523 1 42.55 ? 362 E 1
+5938 C CD2 . PHE C 3 362 ? 174.173 222.862 201.255 1 42.55 ? 362 E 1
+5939 C CE1 . PHE C 3 362 ? 172.158 224.055 202.695 1 42.55 ? 362 E 1
+5940 C CE2 . PHE C 3 362 ? 172.971 222.21 201.422 1 42.55 ? 362 E 1
+5941 C CZ . PHE C 3 362 ? 171.963 222.807 202.142 1 42.55 ? 362 E 1
+5942 N N . ASP C 3 363 ? 175.311 227.958 201.798 1 58.26 ? 363 E 1
+5943 C CA . ASP C 3 363 ? 174.535 229.132 202.184 1 58.26 ? 363 E 1
+5944 C C . ASP C 3 363 ? 174.304 230.062 201.002 1 58.26 ? 363 E 1
+5945 O O . ASP C 3 363 ? 173.215 230.63 200.863 1 58.26 ? 363 E 1
+5946 C CB . ASP C 3 363 ? 175.239 229.884 203.313 1 58.26 ? 363 E 1
+5947 C CG . ASP C 3 363 ? 174.465 231.102 203.773 1 58.26 ? 363 E 1
+5948 O OD1 . ASP C 3 363 ? 173.352 230.931 204.311 1 58.26 ? 363 E 1
+5949 O OD2 . ASP C 3 363 ? 174.97 232.231 203.597 1 58.26 ? 363 E 1
+5950 N N . GLU C 3 364 ? 175.314 230.238 200.15 1 57.04 ? 364 E 1
+5951 C CA . GLU C 3 364 ? 175.171 231.111 198.991 1 57.04 ? 364 E 1
+5952 C C . GLU C 3 364 ? 174.123 230.578 198.022 1 57.04 ? 364 E 1
+5953 O O . GLU C 3 364 ? 173.32 231.347 197.482 1 57.04 ? 364 E 1
+5954 C CB . GLU C 3 364 ? 176.519 231.279 198.287 1 57.04 ? 364 E 1
+5955 C CG . GLU C 3 364 ? 176.43 231.946 196.924 1 57.04 ? 364 E 1
+5956 C CD . GLU C 3 364 ? 177.741 231.898 196.163 1 57.04 ? 364 E 1
+5957 O OE1 . GLU C 3 364 ? 178.806 231.861 196.814 1 57.04 ? 364 E 1
+5958 O OE2 . GLU C 3 364 ? 177.708 231.896 194.914 1 57.04 ? 364 E 1
+5959 N N . ILE C 3 365 ? 174.108 229.266 197.793 1 52.52 ? 365 E 1
+5960 C CA . ILE C 3 365 ? 173.198 228.699 196.805 1 52.52 ? 365 E 1
+5961 C C . ILE C 3 365 ? 171.888 228.258 197.448 1 52.52 ? 365 E 1
+5962 O O . ILE C 3 365 ? 170.818 228.776 197.112 1 52.52 ? 365 E 1
+5963 C CB . ILE C 3 365 ? 173.858 227.525 196.061 1 52.52 ? 365 E 1
+5964 C CG1 . ILE C 3 365 ? 175.076 228.016 195.28 1 52.52 ? 365 E 1
+5965 C CG2 . ILE C 3 365 ? 172.86 226.872 195.125 1 52.52 ? 365 E 1
+5966 C CD1 . ILE C 3 365 ? 175.938 226.905 194.728 1 52.52 ? 365 E 1
+5967 N N . VAL C 3 366 ? 171.96 227.295 198.369 1 56.47 ? 366 E 1
+5968 C CA . VAL C 3 366 ? 170.742 226.662 198.871 1 56.47 ? 366 E 1
+5969 C C . VAL C 3 366 ? 169.969 227.61 199.78 1 56.47 ? 366 E 1
+5970 O O . VAL C 3 366 ? 168.746 227.748 199.657 1 56.47 ? 366 E 1
+5971 C CB . VAL C 3 366 ? 171.079 225.344 199.589 1 56.47 ? 366 E 1
+5972 C CG1 . VAL C 3 366 ? 169.821 224.739 200.196 1 56.47 ? 366 E 1
+5973 C CG2 . VAL C 3 366 ? 171.755 224.374 198.632 1 56.47 ? 366 E 1
+5974 N N . ASN C 3 367 ? 170.666 228.286 200.695 1 65 ? 367 E 1
+5975 C CA . ASN C 3 367 ? 170.023 229.165 201.666 1 65 ? 367 E 1
+5976 C C . ASN C 3 367 ? 169.548 230.475 201.052 1 65 ? 367 E 1
+5977 O O . ASN C 3 367 ? 169.178 231.398 201.789 1 65 ? 367 E 1
+5978 C CB . ASN C 3 367 ? 170.974 229.453 202.831 1 65 ? 367 E 1
+5979 C CG . ASN C 3 367 ? 171.113 228.279 203.78 1 65 ? 367 E 1
+5980 O OD1 . ASN C 3 367 ? 170.237 227.418 203.86 1 65 ? 367 E 1
+5981 N ND2 . ASN C 3 367 ? 172.225 228.237 204.504 1 65 ? 367 E 1
+5982 N N . ASN C 3 368 ? 169.54 230.567 199.724 1 68.38 ? 368 E 1
+5983 C CA . ASN C 3 368 ? 169.124 231.773 199.02 1 68.38 ? 368 E 1
+5984 C C . ASN C 3 368 ? 167.67 232.129 199.329 1 68.38 ? 368 E 1
+5985 O O . ASN C 3 368 ? 166.802 231.251 199.389 1 68.38 ? 368 E 1
+5986 C CB . ASN C 3 368 ? 169.343 231.592 197.517 1 68.38 ? 368 E 1
+5987 C CG . ASN C 3 368 ? 169.078 232.858 196.73 1 68.38 ? 368 E 1
+5988 O OD1 . ASN C 3 368 ? 168.242 232.876 195.83 1 68.38 ? 368 E 1
+5989 N ND2 . ASN C 3 368 ? 169.8 233.922 197.06 1 68.38 ? 368 E 1
+5990 N N . GLU C 3 369 ? 167.402 233.422 199.533 1 72.33 ? 369 E 1
+5991 C CA . GLU C 3 369 ? 166.119 233.882 200.053 1 72.33 ? 369 E 1
+5992 C C . GLU C 3 369 ? 165.043 234.042 198.984 1 72.33 ? 369 E 1
+5993 O O . GLU C 3 369 ? 163.858 233.889 199.302 1 72.33 ? 369 E 1
+5994 C CB . GLU C 3 369 ? 166.32 235.213 200.784 1 72.33 ? 369 E 1
+5995 C CG . GLU C 3 369 ? 167.146 235.142 202.066 1 72.33 ? 369 E 1
+5996 C CD . GLU C 3 369 ? 167.372 236.498 202.707 1 72.33 ? 369 E 1
+5997 O OE1 . GLU C 3 369 ? 167.054 237.519 202.064 1 72.33 ? 369 E 1
+5998 O OE2 . GLU C 3 369 ? 167.874 236.543 203.851 1 72.33 ? 369 E 1
+5999 N N . ASN C 3 370 ? 165.406 234.334 197.737 1 65.98 ? 370 E 1
+6000 C CA . ASN C 3 370 ? 164.417 234.656 196.719 1 65.98 ? 370 E 1
+6001 C C . ASN C 3 370 ? 164.224 233.544 195.695 1 65.98 ? 370 E 1
+6002 O O . ASN C 3 370 ? 163.842 233.827 194.555 1 65.98 ? 370 E 1
+6003 C CB . ASN C 3 370 ? 164.775 235.979 196.027 1 65.98 ? 370 E 1
+6004 C CG . ASN C 3 370 ? 164.576 237.195 196.914 1 65.98 ? 370 E 1
+6005 O OD1 . ASN C 3 370 ? 163.81 237.169 197.868 1 65.98 ? 370 E 1
+6006 N ND2 . ASN C 3 370 ? 165.281 238.275 196.594 1 65.98 ? 370 E 1
+6007 N N . LYS C 3 371 ? 164.479 232.291 196.067 1 59.06 ? 371 E 1
+6008 C CA . LYS C 3 371 ? 164.246 231.183 195.151 1 59.06 ? 371 E 1
+6009 C C . LYS C 3 371 ? 163.921 229.928 195.95 1 59.06 ? 371 E 1
+6010 O O . LYS C 3 371 ? 164.324 229.782 197.107 1 59.06 ? 371 E 1
+6011 C CB . LYS C 3 371 ? 165.456 230.946 194.239 1 59.06 ? 371 E 1
+6012 C CG . LYS C 3 371 ? 166.601 230.202 194.901 1 59.06 ? 371 E 1
+6013 C CD . LYS C 3 371 ? 167.72 229.903 193.918 1 59.06 ? 371 E 1
+6014 C CE . LYS C 3 371 ? 168.026 231.102 193.039 1 59.06 ? 371 E 1
+6015 N NZ . LYS C 3 371 ? 169.181 230.849 192.133 1 59.06 ? 371 E 1
+6016 N N . ASP C 3 372 ? 163.179 229.024 195.312 1 51.81 ? 372 E 1
+6017 C CA . ASP C 3 372 ? 162.872 227.715 195.88 1 51.81 ? 372 E 1
+6018 C C . ASP C 3 372 ? 163.847 226.708 195.286 1 51.81 ? 372 E 1
+6019 O O . ASP C 3 372 ? 163.971 226.604 194.062 1 51.81 ? 372 E 1
+6020 C CB . ASP C 3 372 ? 161.429 227.313 195.589 1 51.81 ? 372 E 1
+6021 C CG . ASP C 3 372 ? 160.428 228.321 196.1 1 51.81 ? 372 E 1
+6022 O OD1 . ASP C 3 372 ? 160.853 229.317 196.717 1 51.81 ? 372 E 1
+6023 O OD2 . ASP C 3 372 ? 159.214 228.115 195.89 1 51.81 ? 372 E 1
+6024 N N . VAL C 3 373 ? 164.534 225.964 196.144 1 40.97 ? 373 E 1
+6025 C CA . VAL C 3 373 ? 165.628 225.101 195.715 1 40.97 ? 373 E 1
+6026 C C . VAL C 3 373 ? 165.297 223.657 196.066 1 40.97 ? 373 E 1
+6027 O O . VAL C 3 373 ? 164.727 223.377 197.127 1 40.97 ? 373 E 1
+6028 C CB . VAL C 3 373 ? 166.959 225.541 196.35 1 40.97 ? 373 E 1
+6029 C CG1 . VAL C 3 373 ? 166.875 225.499 197.868 1 40.97 ? 373 E 1
+6030 C CG2 . VAL C 3 373 ? 168.111 224.698 195.829 1 40.97 ? 373 E 1
+6031 N N . LEU C 3 374 ? 165.63 222.74 195.161 1 36.69 ? 374 E 1
+6032 C CA . LEU C 3 374 ? 165.476 221.307 195.385 1 36.69 ? 374 E 1
+6033 C C . LEU C 3 374 ? 166.857 220.668 195.293 1 36.69 ? 374 E 1
+6034 O O . LEU C 3 374 ? 167.445 220.597 194.21 1 36.69 ? 374 E 1
+6035 C CB . LEU C 3 374 ? 164.513 220.693 194.371 1 36.69 ? 374 E 1
+6036 C CG . LEU C 3 374 ? 164.213 219.206 194.545 1 36.69 ? 374 E 1
+6037 C CD1 . LEU C 3 374 ? 163.176 219.009 195.63 1 36.69 ? 374 E 1
+6038 C CD2 . LEU C 3 374 ? 163.743 218.596 193.239 1 36.69 ? 374 E 1
+6039 N N . ILE C 3 375 ? 167.368 220.203 196.423 1 35.34 ? 375 E 1
+6040 C CA . ILE C 3 375 ? 168.715 219.653 196.513 1 35.34 ? 375 E 1
+6041 C C . ILE C 3 375 ? 168.633 218.145 196.684 1 35.34 ? 375 E 1
+6042 O O . ILE C 3 375 ? 167.633 217.616 197.184 1 35.34 ? 375 E 1
+6043 C CB . ILE C 3 375 ? 169.499 220.315 197.66 1 35.34 ? 375 E 1
+6044 C CG1 . ILE C 3 375 ? 168.908 219.927 199.012 1 35.34 ? 375 E 1
+6045 C CG2 . ILE C 3 375 ? 169.499 221.819 197.5 1 35.34 ? 375 E 1
+6046 C CD1 . ILE C 3 375 ? 169.822 220.224 200.159 1 35.34 ? 375 E 1
+6047 N N . GLU C 3 376 ? 169.683 217.449 196.255 1 27.4 ? 376 E 1
+6048 C CA . GLU C 3 376 ? 169.715 215.99 196.212 1 27.4 ? 376 E 1
+6049 C C . GLU C 3 376 ? 171.067 215.509 196.72 1 27.4 ? 376 E 1
+6050 O O . GLU C 3 376 ? 172.058 215.547 195.984 1 27.4 ? 376 E 1
+6051 C CB . GLU C 3 376 ? 169.45 215.492 194.791 1 27.4 ? 376 E 1
+6052 C CG . GLU C 3 376 ? 169.377 213.983 194.638 1 27.4 ? 376 E 1
+6053 C CD . GLU C 3 376 ? 170.641 213.397 194.043 1 27.4 ? 376 E 1
+6054 O OE1 . GLU C 3 376 ? 171.355 214.127 193.326 1 27.4 ? 376 E 1
+6055 O OE2 . GLU C 3 376 ? 170.916 212.204 194.281 1 27.4 ? 376 E 1
+6056 N N . PHE C 3 377 ? 171.11 215.058 197.972 1 23.76 ? 377 E 1
+6057 C CA . PHE C 3 377 ? 172.346 214.538 198.545 1 23.76 ? 377 E 1
+6058 C C . PHE C 3 377 ? 172.679 213.205 197.892 1 23.76 ? 377 E 1
+6059 O O . PHE C 3 377 ? 171.852 212.289 197.889 1 23.76 ? 377 E 1
+6060 C CB . PHE C 3 377 ? 172.21 214.371 200.055 1 23.76 ? 377 E 1
+6061 C CG . PHE C 3 377 ? 171.876 215.639 200.78 1 23.76 ? 377 E 1
+6062 C CD1 . PHE C 3 377 ? 172.847 216.59 201.016 1 23.76 ? 377 E 1
+6063 C CD2 . PHE C 3 377 ? 170.594 215.875 201.235 1 23.76 ? 377 E 1
+6064 C CE1 . PHE C 3 377 ? 172.543 217.75 201.688 1 23.76 ? 377 E 1
+6065 C CE2 . PHE C 3 377 ? 170.287 217.034 201.908 1 23.76 ? 377 E 1
+6066 C CZ . PHE C 3 377 ? 171.265 217.97 202.138 1 23.76 ? 377 E 1
+6067 N N . TYR C 3 378 ? 173.884 213.092 197.34 1 16.36 ? 378 E 1
+6068 C CA . TYR C 3 378 ? 174.295 211.886 196.642 1 16.36 ? 378 E 1
+6069 C C . TYR C 3 378 ? 175.722 211.526 197.022 1 16.36 ? 378 E 1
+6070 O O . TYR C 3 378 ? 176.533 212.396 197.345 1 16.36 ? 378 E 1
+6071 C CB . TYR C 3 378 ? 174.193 212.058 195.125 1 16.36 ? 378 E 1
+6072 C CG . TYR C 3 378 ? 175.435 212.628 194.487 1 16.36 ? 378 E 1
+6073 C CD1 . TYR C 3 378 ? 175.774 213.96 194.647 1 16.36 ? 378 E 1
+6074 C CD2 . TYR C 3 378 ? 176.267 211.83 193.716 1 16.36 ? 378 E 1
+6075 C CE1 . TYR C 3 378 ? 176.909 214.48 194.063 1 16.36 ? 378 E 1
+6076 C CE2 . TYR C 3 378 ? 177.402 212.34 193.129 1 16.36 ? 378 E 1
+6077 C CZ . TYR C 3 378 ? 177.719 213.665 193.305 1 16.36 ? 378 E 1
+6078 O OH . TYR C 3 378 ? 178.852 214.177 192.719 1 16.36 ? 378 E 1
+6079 N N . ALA C 3 379 ? 176.021 210.229 196.978 1 10.21 ? 379 E 1
+6080 C CA . ALA C 3 379 ? 177.362 209.72 197.229 1 10.21 ? 379 E 1
+6081 C C . ALA C 3 379 ? 177.927 209.064 195.975 1 10.21 ? 379 E 1
+6082 O O . ALA C 3 379 ? 177.166 208.555 195.147 1 10.21 ? 379 E 1
+6083 C CB . ALA C 3 379 ? 177.352 208.706 198.372 1 10.21 ? 379 E 1
+6084 N N . PRO C 3 380 ? 179.249 209.074 195.794 1 10.33 ? 380 E 1
+6085 C CA . PRO C 3 380 ? 179.815 208.469 194.574 1 10.33 ? 380 E 1
+6086 C C . PRO C 3 380 ? 179.552 206.977 194.454 1 10.33 ? 380 E 1
+6087 O O . PRO C 3 380 ? 179.001 206.527 193.442 1 10.33 ? 380 E 1
+6088 C CB . PRO C 3 380 ? 181.311 208.784 194.7 1 10.33 ? 380 E 1
+6089 C CG . PRO C 3 380 ? 181.366 209.997 195.558 1 10.33 ? 380 E 1
+6090 C CD . PRO C 3 380 ? 180.259 209.825 196.555 1 10.33 ? 380 E 1
+6091 N N . TRP C 3 381 ? 179.929 206.191 195.467 1 7.49 ? 381 E 1
+6092 C CA . TRP C 3 381 ? 179.729 204.747 195.407 1 7.49 ? 381 E 1
+6093 C C . TRP C 3 381 ? 178.255 204.366 195.422 1 7.49 ? 381 E 1
+6094 O O . TRP C 3 381 ? 177.92 203.214 195.13 1 7.49 ? 381 E 1
+6095 C CB . TRP C 3 381 ? 180.452 204.066 196.57 1 7.49 ? 381 E 1
+6096 C CG . TRP C 3 381 ? 180.269 204.767 197.877 1 7.49 ? 381 E 1
+6097 C CD1 . TRP C 3 381 ? 181.16 205.594 198.492 1 7.49 ? 381 E 1
+6098 C CD2 . TRP C 3 381 ? 179.124 204.701 198.734 1 7.49 ? 381 E 1
+6099 N NE1 . TRP C 3 381 ? 180.64 206.051 199.678 1 7.49 ? 381 E 1
+6100 C CE2 . TRP C 3 381 ? 179.391 205.516 199.849 1 7.49 ? 381 E 1
+6101 C CE3 . TRP C 3 381 ? 177.901 204.031 198.667 1 7.49 ? 381 E 1
+6102 C CZ2 . TRP C 3 381 ? 178.48 205.681 200.885 1 7.49 ? 381 E 1
+6103 C CZ3 . TRP C 3 381 ? 176.998 204.197 199.695 1 7.49 ? 381 E 1
+6104 C CH2 . TRP C 3 381 ? 177.292 205.014 200.79 1 7.49 ? 381 E 1
+6105 N N . CYS C 3 382 ? 177.374 205.3 195.769 1 11.09 ? 382 E 1
+6106 C CA . CYS C 3 382 ? 175.937 205.066 195.788 1 11.09 ? 382 E 1
+6107 C C . CYS C 3 382 ? 175.414 204.637 194.425 1 11.09 ? 382 E 1
+6108 O O . CYS C 3 382 ? 175.433 205.42 193.471 1 11.09 ? 382 E 1
+6109 C CB . CYS C 3 382 ? 175.228 206.335 196.257 1 11.09 ? 382 E 1
+6110 S SG . CYS C 3 382 ? 173.435 206.332 196.194 1 11.09 ? 382 E 1
+6111 N N . GLY C 3 383 ? 174.951 203.39 194.323 1 13.64 ? 383 E 1
+6112 C CA . GLY C 3 383 ? 174.352 202.931 193.082 1 13.64 ? 383 E 1
+6113 C C . GLY C 3 383 ? 172.985 203.53 192.83 1 13.64 ? 383 E 1
+6114 O O . GLY C 3 383 ? 172.625 203.8 191.68 1 13.64 ? 383 E 1
+6115 N N . HIS C 3 384 ? 172.206 203.742 193.893 1 15.92 ? 384 E 1
+6116 C CA . HIS C 3 384 ? 170.93 204.433 193.755 1 15.92 ? 384 E 1
+6117 C C . HIS C 3 384 ? 171.123 205.829 193.184 1 15.92 ? 384 E 1
+6118 O O . HIS C 3 384 ? 170.369 206.256 192.3 1 15.92 ? 384 E 1
+6119 C CB . HIS C 3 384 ? 170.24 204.521 195.114 1 15.92 ? 384 E 1
+6120 C CG . HIS C 3 384 ? 169.486 203.289 195.496 1 15.92 ? 384 E 1
+6121 N ND1 . HIS C 3 384 ? 169.08 203.038 196.789 1 15.92 ? 384 E 1
+6122 C CD2 . HIS C 3 384 ? 169.057 202.239 194.757 1 15.92 ? 384 E 1
+6123 C CE1 . HIS C 3 384 ? 168.437 201.886 196.83 1 15.92 ? 384 E 1
+6124 N NE2 . HIS C 3 384 ? 168.409 201.38 195.611 1 15.92 ? 384 E 1
+6125 N N . CYS C 3 385 ? 172.136 206.547 193.668 1 14.35 ? 385 E 1
+6126 C CA . CYS C 3 385 ? 172.388 207.902 193.197 1 14.35 ? 385 E 1
+6127 C C . CYS C 3 385 ? 172.881 207.905 191.755 1 14.35 ? 385 E 1
+6128 O O . CYS C 3 385 ? 172.504 208.781 190.969 1 14.35 ? 385 E 1
+6129 C CB . CYS C 3 385 ? 173.389 208.579 194.126 1 14.35 ? 385 E 1
+6130 S SG . CYS C 3 385 ? 173.012 208.295 195.878 1 14.35 ? 385 E 1
+6131 N N . LYS C 3 386 ? 173.714 206.93 191.382 1 16.36 ? 386 E 1
+6132 C CA . LYS C 3 386 ? 174.134 206.824 189.988 1 16.36 ? 386 E 1
+6133 C C . LYS C 3 386 ? 172.958 206.508 189.076 1 16.36 ? 386 E 1
+6134 O O . LYS C 3 386 ? 172.894 207.009 187.948 1 16.36 ? 386 E 1
+6135 C CB . LYS C 3 386 ? 175.22 205.761 189.832 1 16.36 ? 386 E 1
+6136 C CG . LYS C 3 386 ? 175.728 205.618 188.404 1 16.36 ? 386 E 1
+6137 C CD . LYS C 3 386 ? 176.858 204.611 188.309 1 16.36 ? 386 E 1
+6138 C CE . LYS C 3 386 ? 177.32 204.426 186.875 1 16.36 ? 386 E 1
+6139 N NZ . LYS C 3 386 ? 178.428 203.437 186.777 1 16.36 ? 386 E 1
+6140 N N . ASN C 3 387 ? 172.022 205.681 189.541 1 18.82 ? 387 E 1
+6141 C CA . ASN C 3 387 ? 170.828 205.389 188.762 1 18.82 ? 387 E 1
+6142 C C . ASN C 3 387 ? 169.892 206.584 188.656 1 18.82 ? 387 E 1
+6143 O O . ASN C 3 387 ? 169.215 206.735 187.635 1 18.82 ? 387 E 1
+6144 C CB . ASN C 3 387 ? 170.081 204.204 189.376 1 18.82 ? 387 E 1
+6145 C CG . ASN C 3 387 ? 168.95 203.715 188.502 1 18.82 ? 387 E 1
+6146 O OD1 . ASN C 3 387 ? 168.963 203.903 187.286 1 18.82 ? 387 E 1
+6147 N ND2 . ASN C 3 387 ? 167.961 203.077 189.117 1 18.82 ? 387 E 1
+6148 N N . LEU C 3 388 ? 169.837 207.428 189.685 1 21.01 ? 388 E 1
+6149 C CA . LEU C 3 388 ? 168.974 208.601 189.667 1 21.01 ? 388 E 1
+6150 C C . LEU C 3 388 ? 169.604 209.8 188.968 1 21.01 ? 388 E 1
+6151 O O . LEU C 3 388 ? 168.885 210.742 188.617 1 21.01 ? 388 E 1
+6152 C CB . LEU C 3 388 ? 168.591 208.977 191.104 1 21.01 ? 388 E 1
+6153 C CG . LEU C 3 388 ? 167.565 210.081 191.36 1 21.01 ? 388 E 1
+6154 C CD1 . LEU C 3 388 ? 166.591 209.655 192.439 1 21.01 ? 388 E 1
+6155 C CD2 . LEU C 3 388 ? 168.265 211.364 191.764 1 21.01 ? 388 E 1
+6156 N N . GLU C 3 389 ? 170.917 209.782 188.747 1 25.92 ? 389 E 1
+6157 C CA . GLU C 3 389 ? 171.601 210.925 188.142 1 25.92 ? 389 E 1
+6158 C C . GLU C 3 389 ? 171.089 211.308 186.756 1 25.92 ? 389 E 1
+6159 O O . GLU C 3 389 ? 170.85 212.505 186.53 1 25.92 ? 389 E 1
+6160 C CB . GLU C 3 389 ? 173.11 210.641 188.11 1 25.92 ? 389 E 1
+6161 C CG . GLU C 3 389 ? 173.952 211.784 187.579 1 25.92 ? 389 E 1
+6162 C CD . GLU C 3 389 ? 175.43 211.451 187.554 1 25.92 ? 389 E 1
+6163 O OE1 . GLU C 3 389 ? 175.785 210.296 187.871 1 25.92 ? 389 E 1
+6164 O OE2 . GLU C 3 389 ? 176.237 212.342 187.219 1 25.92 ? 389 E 1
+6165 N N . PRO C 3 390 ? 170.925 210.392 185.791 1 36.08 ? 390 E 1
+6166 C CA . PRO C 3 390 ? 170.459 210.837 184.461 1 36.08 ? 390 E 1
+6167 C C . PRO C 3 390 ? 169.075 211.466 184.477 1 36.08 ? 390 E 1
+6168 O O . PRO C 3 390 ? 168.841 212.476 183.796 1 36.08 ? 390 E 1
+6169 C CB . PRO C 3 390 ? 170.496 209.543 183.634 1 36.08 ? 390 E 1
+6170 C CG . PRO C 3 390 ? 171.484 208.679 184.333 1 36.08 ? 390 E 1
+6171 C CD . PRO C 3 390 ? 171.262 208.958 185.784 1 36.08 ? 390 E 1
+6172 N N . LYS C 3 391 ? 168.143 210.896 185.243 1 36.77 ? 391 E 1
+6173 C CA . LYS C 3 391 ? 166.814 211.486 185.339 1 36.77 ? 391 E 1
+6174 C C . LYS C 3 391 ? 166.86 212.857 185.997 1 36.77 ? 391 E 1
+6175 O O . LYS C 3 391 ? 166.138 213.769 185.58 1 36.77 ? 391 E 1
+6176 C CB . LYS C 3 391 ? 165.876 210.554 186.104 1 36.77 ? 391 E 1
+6177 C CG . LYS C 3 391 ? 165.504 209.296 185.338 1 36.77 ? 391 E 1
+6178 C CD . LYS C 3 391 ? 164.425 208.508 186.058 1 36.77 ? 391 E 1
+6179 C CE . LYS C 3 391 ? 164.969 207.83 187.303 1 36.77 ? 391 E 1
+6180 N NZ . LYS C 3 391 ? 165.965 206.776 186.968 1 36.77 ? 391 E 1
+6181 N N . TYR C 3 392 ? 167.702 213.025 187.016 1 31.93 ? 392 E 1
+6182 C CA . TYR C 3 392 ? 167.835 214.328 187.656 1 31.93 ? 392 E 1
+6183 C C . TYR C 3 392 ? 168.427 215.35 186.693 1 31.93 ? 392 E 1
+6184 O O . TYR C 3 392 ? 168.012 216.515 186.677 1 31.93 ? 392 E 1
+6185 C CB . TYR C 3 392 ? 168.696 214.195 188.91 1 31.93 ? 392 E 1
+6186 C CG . TYR C 3 392 ? 168.498 215.286 189.934 1 31.93 ? 392 E 1
+6187 C CD1 . TYR C 3 392 ? 167.368 215.304 190.738 1 31.93 ? 392 E 1
+6188 C CD2 . TYR C 3 392 ? 169.447 216.278 190.116 1 31.93 ? 392 E 1
+6189 C CE1 . TYR C 3 392 ? 167.179 216.286 191.683 1 31.93 ? 392 E 1
+6190 C CE2 . TYR C 3 392 ? 169.267 217.265 191.062 1 31.93 ? 392 E 1
+6191 C CZ . TYR C 3 392 ? 168.13 217.263 191.842 1 31.93 ? 392 E 1
+6192 O OH . TYR C 3 392 ? 167.942 218.244 192.787 1 31.93 ? 392 E 1
+6193 N N . LYS C 3 393 ? 169.398 214.929 185.877 1 35.47 ? 393 E 1
+6194 C CA . LYS C 3 393 ? 169.973 215.819 184.871 1 35.47 ? 393 E 1
+6195 C C . LYS C 3 393 ? 168.933 216.237 183.838 1 35.47 ? 393 E 1
+6196 O O . LYS C 3 393 ? 168.886 217.405 183.429 1 35.47 ? 393 E 1
+6197 C CB . LYS C 3 393 ? 171.16 215.134 184.195 1 35.47 ? 393 E 1
+6198 C CG . LYS C 3 393 ? 171.605 215.781 182.898 1 35.47 ? 393 E 1
+6199 C CD . LYS C 3 393 ? 173.007 215.335 182.519 1 35.47 ? 393 E 1
+6200 C CE . LYS C 3 393 ? 173.752 216.421 181.762 1 35.47 ? 393 E 1
+6201 N NZ . LYS C 3 393 ? 175.219 216.17 181.746 1 35.47 ? 393 E 1
+6202 N N . GLU C 3 394 ? 168.099 215.294 183.393 1 45.25 ? 394 E 1
+6203 C CA . GLU C 3 394 ? 167.033 215.639 182.456 1 45.25 ? 394 E 1
+6204 C C . GLU C 3 394 ? 166.023 216.582 183.102 1 45.25 ? 394 E 1
+6205 O O . GLU C 3 394 ? 165.513 217.503 182.454 1 45.25 ? 394 E 1
+6206 C CB . GLU C 3 394 ? 166.35 214.373 181.94 1 45.25 ? 394 E 1
+6207 C CG . GLU C 3 394 ? 167.232 213.518 181.048 1 45.25 ? 394 E 1
+6208 C CD . GLU C 3 394 ? 166.539 212.253 180.587 1 45.25 ? 394 E 1
+6209 O OE1 . GLU C 3 394 ? 165.438 211.959 181.097 1 45.25 ? 394 E 1
+6210 O OE2 . GLU C 3 394 ? 167.095 211.553 179.715 1 45.25 ? 394 E 1
+6211 N N . LEU C 3 395 ? 165.728 216.368 184.386 1 38.47 ? 395 E 1
+6212 C CA . LEU C 3 395 ? 164.87 217.291 185.122 1 38.47 ? 395 E 1
+6213 C C . LEU C 3 395 ? 165.461 218.694 185.125 1 38.47 ? 395 E 1
+6214 O O . LEU C 3 395 ? 164.754 219.686 184.909 1 38.47 ? 395 E 1
+6215 C CB . LEU C 3 395 ? 164.683 216.789 186.554 1 38.47 ? 395 E 1
+6216 C CG . LEU C 3 395 ? 163.865 217.663 187.504 1 38.47 ? 395 E 1
+6217 C CD1 . LEU C 3 395 ? 162.43 217.764 187.038 1 38.47 ? 395 E 1
+6218 C CD2 . LEU C 3 395 ? 163.936 217.132 188.925 1 38.47 ? 395 E 1
+6219 N N . GLY C 3 396 ? 166.768 218.787 185.368 1 40.23 ? 396 E 1
+6220 C CA . GLY C 3 396 ? 167.419 220.085 185.383 1 40.23 ? 396 E 1
+6221 C C . GLY C 3 396 ? 167.39 220.776 184.035 1 40.23 ? 396 E 1
+6222 O O . GLY C 3 396 ? 167.133 221.979 183.949 1 40.23 ? 396 E 1
+6223 N N . GLU C 3 397 ? 167.654 220.028 182.961 1 43.9 ? 397 E 1
+6224 C CA . GLU C 3 397 ? 167.663 220.652 181.641 1 43.9 ? 397 E 1
+6225 C C . GLU C 3 397 ? 166.254 221.048 181.21 1 43.9 ? 397 E 1
+6226 O O . GLU C 3 397 ? 166.075 222.034 180.485 1 43.9 ? 397 E 1
+6227 C CB . GLU C 3 397 ? 168.319 219.734 180.607 1 43.9 ? 397 E 1
+6228 C CG . GLU C 3 397 ? 168.45 220.304 179.211 1 43.9 ? 397 E 1
+6229 C CD . GLU C 3 397 ? 169.151 219.358 178.258 1 43.9 ? 397 E 1
+6230 O OE1 . GLU C 3 397 ? 169.501 218.237 178.683 1 43.9 ? 397 E 1
+6231 O OE2 . GLU C 3 397 ? 169.35 219.734 177.085 1 43.9 ? 397 E 1
+6232 N N . LYS C 3 398 ? 165.239 220.293 181.643 1 48.42 ? 398 E 1
+6233 C CA . LYS C 3 398 ? 163.865 220.682 181.341 1 48.42 ? 398 E 1
+6234 C C . LYS C 3 398 ? 163.456 221.933 182.107 1 48.42 ? 398 E 1
+6235 O O . LYS C 3 398 ? 162.851 222.846 181.533 1 48.42 ? 398 E 1
+6236 C CB . LYS C 3 398 ? 162.903 219.535 181.647 1 48.42 ? 398 E 1
+6237 C CG . LYS C 3 398 ? 162.877 218.449 180.591 1 48.42 ? 398 E 1
+6238 C CD . LYS C 3 398 ? 161.899 217.35 180.957 1 48.42 ? 398 E 1
+6239 C CE . LYS C 3 398 ? 161.761 216.346 179.828 1 48.42 ? 398 E 1
+6240 N NZ . LYS C 3 398 ? 161.233 216.983 178.59 1 48.42 ? 398 E 1
+6241 N N . LEU C 3 399 ? 163.774 222.001 183.402 1 44.96 ? 399 E 1
+6242 C CA . LEU C 3 399 ? 163.35 223.124 184.231 1 44.96 ? 399 E 1
+6243 C C . LEU C 3 399 ? 164.414 224.206 184.352 1 44.96 ? 399 E 1
+6244 O O . LEU C 3 399 ? 164.359 225.022 185.282 1 44.96 ? 399 E 1
+6245 C CB . LEU C 3 399 ? 162.919 222.635 185.614 1 44.96 ? 399 E 1
+6246 C CG . LEU C 3 399 ? 161.52 222.018 185.695 1 44.96 ? 399 E 1
+6247 C CD1 . LEU C 3 399 ? 161.45 220.643 185.041 1 44.96 ? 399 E 1
+6248 C CD2 . LEU C 3 399 ? 161.05 221.956 187.135 1 44.96 ? 399 E 1
+6249 N N . SER C 3 400 ? 165.384 224.234 183.439 1 51.27 ? 400 E 1
+6250 C CA . SER C 3 400 ? 166.305 225.36 183.368 1 51.27 ? 400 E 1
+6251 C C . SER C 3 400 ? 165.607 226.658 182.983 1 51.27 ? 400 E 1
+6252 O O . SER C 3 400 ? 166.137 227.738 183.266 1 51.27 ? 400 E 1
+6253 C CB . SER C 3 400 ? 167.426 225.062 182.371 1 51.27 ? 400 E 1
+6254 O OG . SER C 3 400 ? 166.918 224.92 181.055 1 51.27 ? 400 E 1
+6255 N N . LYS C 3 401 ? 164.435 226.577 182.35 1 50.95 ? 401 E 1
+6256 C CA . LYS C 3 401 ? 163.714 227.772 181.935 1 50.95 ? 401 E 1
+6257 C C . LYS C 3 401 ? 162.979 228.447 183.084 1 50.95 ? 401 E 1
+6258 O O . LYS C 3 401 ? 162.538 229.591 182.931 1 50.95 ? 401 E 1
+6259 C CB . LYS C 3 401 ? 162.721 227.429 180.823 1 50.95 ? 401 E 1
+6260 C CG . LYS C 3 401 ? 163.374 227.01 179.517 1 50.95 ? 401 E 1
+6261 C CD . LYS C 3 401 ? 162.334 226.66 178.466 1 50.95 ? 401 E 1
+6262 C CE . LYS C 3 401 ? 162.987 226.265 177.153 1 50.95 ? 401 E 1
+6263 N NZ . LYS C 3 401 ? 161.976 225.898 176.124 1 50.95 ? 401 E 1
+6264 N N . ASP C 3 402 ? 162.829 227.774 184.217 1 53.49 ? 402 E 1
+6265 C CA . ASP C 3 402 ? 162.218 228.399 185.382 1 53.49 ? 402 E 1
+6266 C C . ASP C 3 402 ? 163.267 229.215 186.128 1 53.49 ? 402 E 1
+6267 O O . ASP C 3 402 ? 164.252 228.644 186.609 1 53.49 ? 402 E 1
+6268 C CB . ASP C 3 402 ? 161.616 227.346 186.302 1 53.49 ? 402 E 1
+6269 N N . PRO C 3 403 ? 163.103 230.53 186.246 1 56.44 ? 403 E 1
+6270 C CA . PRO C 3 403 ? 164.129 231.344 186.912 1 56.44 ? 403 E 1
+6271 C C . PRO C 3 403 ? 164.08 231.222 188.425 1 56.44 ? 403 E 1
+6272 O O . PRO C 3 403 ? 165.108 231.32 189.101 1 56.44 ? 403 E 1
+6273 C CB . PRO C 3 403 ? 163.792 232.773 186.459 1 56.44 ? 403 E 1
+6274 C CG . PRO C 3 403 ? 162.82 232.611 185.309 1 56.44 ? 403 E 1
+6275 C CD . PRO C 3 403 ? 162.063 231.367 185.631 1 56.44 ? 403 E 1
+6276 N N . ASN C 3 404 ? 162.88 231.008 188.965 1 55.01 ? 404 E 1
+6277 C CA . ASN C 3 404 ? 162.694 231.02 190.41 1 55.01 ? 404 E 1
+6278 C C . ASN C 3 404 ? 163.116 229.706 191.058 1 55.01 ? 404 E 1
+6279 O O . ASN C 3 404 ? 163.305 229.656 192.278 1 55.01 ? 404 E 1
+6280 C CB . ASN C 3 404 ? 161.23 231.324 190.737 1 55.01 ? 404 E 1
+6281 C CG . ASN C 3 404 ? 160.849 232.76 190.443 1 55.01 ? 404 E 1
+6282 O OD1 . ASN C 3 404 ? 161.701 233.647 190.398 1 55.01 ? 404 E 1
+6283 N ND2 . ASN C 3 404 ? 159.558 232.997 190.239 1 55.01 ? 404 E 1
+6284 N N . ILE C 3 405 ? 163.267 228.642 190.277 1 44.37 ? 405 E 1
+6285 C CA . ILE C 3 405 ? 163.561 227.32 190.814 1 44.37 ? 405 E 1
+6286 C C . ILE C 3 405 ? 164.818 226.77 190.157 1 44.37 ? 405 E 1
+6287 O O . ILE C 3 405 ? 164.972 226.801 188.931 1 44.37 ? 405 E 1
+6288 C CB . ILE C 3 405 ? 162.371 226.356 190.617 1 44.37 ? 405 E 1
+6289 C CG1 . ILE C 3 405 ? 161.126 226.874 191.342 1 44.37 ? 405 E 1
+6290 C CG2 . ILE C 3 405 ? 162.729 224.963 191.102 1 44.37 ? 405 E 1
+6291 C CD1 . ILE C 3 405 ? 160.187 227.676 190.466 1 44.37 ? 405 E 1
+6292 N N . VAL C 3 406 ? 165.73 226.262 190.984 1 41.49 ? 406 E 1
+6293 C CA . VAL C 3 406 ? 166.915 225.564 190.496 1 41.49 ? 406 E 1
+6294 C C . VAL C 3 406 ? 167.138 224.323 191.352 1 41.49 ? 406 E 1
+6295 O O . VAL C 3 406 ? 166.979 224.363 192.577 1 41.49 ? 406 E 1
+6296 C CB . VAL C 3 406 ? 168.153 226.481 190.496 1 41.49 ? 406 E 1
+6297 C CG1 . VAL C 3 406 ? 168.473 226.967 191.902 1 41.49 ? 406 E 1
+6298 C CG2 . VAL C 3 406 ? 169.348 225.761 189.89 1 41.49 ? 406 E 1
+6299 N N . ILE C 3 407 ? 167.483 223.208 190.716 1 35.52 ? 407 E 1
+6300 C CA . ILE C 3 407 ? 167.739 221.976 191.445 1 35.52 ? 407 E 1
+6301 C C . ILE C 3 407 ? 169.241 221.807 191.624 1 35.52 ? 407 E 1
+6302 O O . ILE C 3 407 ? 170.047 222.272 190.815 1 35.52 ? 407 E 1
+6303 C CB . ILE C 3 407 ? 167.121 220.752 190.748 1 35.52 ? 407 E 1
+6304 C CG1 . ILE C 3 407 ? 167.737 220.548 189.368 1 35.52 ? 407 E 1
+6305 C CG2 . ILE C 3 407 ? 165.616 220.914 190.63 1 35.52 ? 407 E 1
+6306 C CD1 . ILE C 3 407 ? 167.341 219.237 188.744 1 35.52 ? 407 E 1
+6307 N N . ALA C 3 408 ? 169.625 221.126 192.701 1 27.3 ? 408 E 1
+6308 C CA . ALA C 3 408 ? 171.022 221.056 193.1 1 27.3 ? 408 E 1
+6309 C C . ALA C 3 408 ? 171.364 219.666 193.613 1 27.3 ? 408 E 1
+6310 O O . ALA C 3 408 ? 170.489 218.909 194.037 1 27.3 ? 408 E 1
+6311 C CB . ALA C 3 408 ? 171.335 222.096 194.178 1 27.3 ? 408 E 1
+6312 N N . LYS C 3 409 ? 172.654 219.339 193.561 1 23.38 ? 409 E 1
+6313 C CA . LYS C 3 409 ? 173.186 218.109 194.132 1 23.38 ? 409 E 1
+6314 C C . LYS C 3 409 ? 174.467 218.431 194.885 1 23.38 ? 409 E 1
+6315 O O . LYS C 3 409 ? 175.337 219.132 194.36 1 23.38 ? 409 E 1
+6316 C CB . LYS C 3 409 ? 173.454 217.058 193.049 1 23.38 ? 409 E 1
+6317 C CG . LYS C 3 409 ? 174.395 217.514 191.949 1 23.38 ? 409 E 1
+6318 C CD . LYS C 3 409 ? 174.825 216.355 191.069 1 23.38 ? 409 E 1
+6319 C CE . LYS C 3 409 ? 175.91 216.783 190.095 1 23.38 ? 409 E 1
+6320 N NZ . LYS C 3 409 ? 176.345 215.667 189.212 1 23.38 ? 409 E 1
+6321 N N . MET C 3 410 ? 174.579 217.936 196.115 1 29.32 ? 410 E 1
+6322 C CA . MET C 3 410 ? 175.774 218.142 196.921 1 29.32 ? 410 E 1
+6323 C C . MET C 3 410 ? 176.301 216.799 197.393 1 29.32 ? 410 E 1
+6324 O O . MET C 3 410 ? 175.576 216.037 198.04 1 29.32 ? 410 E 1
+6325 C CB . MET C 3 410 ? 175.497 219.047 198.125 1 29.32 ? 410 E 1
+6326 C CG . MET C 3 410 ? 176.74 219.326 198.958 1 29.32 ? 410 E 1
+6327 S SD . MET C 3 410 ? 176.474 220.411 200.372 1 29.32 ? 410 E 1
+6328 C CE . MET C 3 410 ? 175.556 219.338 201.464 1 29.32 ? 410 E 1
+6329 N N . ASP C 3 411 ? 177.559 216.512 197.069 1 23.68 ? 411 E 1
+6330 C CA . ASP C 3 411 ? 178.198 215.284 197.523 1 23.68 ? 411 E 1
+6331 C C . ASP C 3 411 ? 178.199 215.258 199.046 1 23.68 ? 411 E 1
+6332 O O . ASP C 3 411 ? 178.731 216.168 199.688 1 23.68 ? 411 E 1
+6333 C CB . ASP C 3 411 ? 179.619 215.201 196.971 1 23.68 ? 411 E 1
+6334 C CG . ASP C 3 411 ? 180.34 213.937 197.392 1 23.68 ? 411 E 1
+6335 O OD1 . ASP C 3 411 ? 179.695 213.041 197.972 1 23.68 ? 411 E 1
+6336 O OD2 . ASP C 3 411 ? 181.559 213.837 197.139 1 23.68 ? 411 E 1
+6337 N N . ALA C 3 412 ? 177.6 214.223 199.627 1 17.38 ? 412 E 1
+6338 C CA . ALA C 3 412 ? 177.38 214.172 201.065 1 17.38 ? 412 E 1
+6339 C C . ALA C 3 412 ? 178.403 213.32 201.805 1 17.38 ? 412 E 1
+6340 O O . ALA C 3 412 ? 178.225 213.068 203 1 17.38 ? 412 E 1
+6341 C CB . ALA C 3 412 ? 175.971 213.661 201.364 1 17.38 ? 412 E 1
+6342 N N . THR C 3 413 ? 179.461 212.867 201.134 1 21.98 ? 413 E 1
+6343 C CA . THR C 3 413 ? 180.53 212.141 201.81 1 21.98 ? 413 E 1
+6344 C C . THR C 3 413 ? 181.809 212.962 201.921 1 21.98 ? 413 E 1
+6345 O O . THR C 3 413 ? 182.582 212.779 202.865 1 21.98 ? 413 E 1
+6346 C CB . THR C 3 413 ? 180.817 210.812 201.099 1 21.98 ? 413 E 1
+6347 O OG1 . THR C 3 413 ? 181.193 211.071 199.741 1 21.98 ? 413 E 1
+6348 C CG2 . THR C 3 413 ? 179.595 209.914 201.107 1 21.98 ? 413 E 1
+6349 N N . ALA C 3 414 ? 182.049 213.869 200.973 1 27.64 ? 414 E 1
+6350 C CA . ALA C 3 414 ? 183.216 214.738 201.024 1 27.64 ? 414 E 1
+6351 C C . ALA C 3 414 ? 182.873 216.171 201.398 1 27.64 ? 414 E 1
+6352 O O . ALA C 3 414 ? 183.781 217.002 201.502 1 27.64 ? 414 E 1
+6353 C CB . ALA C 3 414 ? 183.944 214.728 199.676 1 27.64 ? 414 E 1
+6354 N N . ASN C 3 415 ? 181.594 216.478 201.6 1 34.91 ? 415 E 1
+6355 C CA . ASN C 3 415 ? 181.147 217.812 201.977 1 34.91 ? 415 E 1
+6356 C C . ASN C 3 415 ? 180.155 217.678 203.121 1 34.91 ? 415 E 1
+6357 O O . ASN C 3 415 ? 179.088 217.079 202.952 1 34.91 ? 415 E 1
+6358 C CB . ASN C 3 415 ? 180.509 218.532 200.79 1 34.91 ? 415 E 1
+6359 C CG . ASN C 3 415 ? 181.461 218.679 199.623 1 34.91 ? 415 E 1
+6360 O OD1 . ASN C 3 415 ? 182.651 218.922 199.807 1 34.91 ? 415 E 1
+6361 N ND2 . ASN C 3 415 ? 180.939 218.532 198.412 1 34.91 ? 415 E 1
+6362 N N . ASP C 3 416 ? 180.504 218.235 204.277 1 50.47 ? 416 E 1
+6363 C CA . ASP C 3 416 ? 179.667 218.09 205.46 1 50.47 ? 416 E 1
+6364 C C . ASP C 3 416 ? 178.341 218.816 205.269 1 50.47 ? 416 E 1
+6365 O O . ASP C 3 416 ? 178.312 220.006 204.943 1 50.47 ? 416 E 1
+6366 C CB . ASP C 3 416 ? 180.394 218.631 206.689 1 50.47 ? 416 E 1
+6367 C CG . ASP C 3 416 ? 181.54 217.743 207.123 1 50.47 ? 416 E 1
+6368 O OD1 . ASP C 3 416 ? 181.555 216.557 206.728 1 50.47 ? 416 E 1
+6369 O OD2 . ASP C 3 416 ? 182.429 218.23 207.853 1 50.47 ? 416 E 1
+6370 N N . VAL C 3 417 ? 177.237 218.078 205.438 1 44.39 ? 417 E 1
+6371 C CA . VAL C 3 417 ? 175.879 218.653 205.193 1 44.39 ? 417 E 1
+6372 C C . VAL C 3 417 ? 175.559 219.705 206.256 1 44.39 ? 417 E 1
+6373 O O . VAL C 3 417 ? 175.595 219.368 207.45 1 44.39 ? 417 E 1
+6374 C CB . VAL C 3 417 ? 174.812 217.543 205.17 1 44.39 ? 417 E 1
+6375 C CG1 . VAL C 3 417 ? 173.408 218.115 205.058 1 44.39 ? 417 E 1
+6376 C CG2 . VAL C 3 417 ? 175.073 216.535 204.062 1 44.39 ? 417 E 1
+6377 N N . PRO C 3 418 ? 175.307 220.984 205.89 1 47.7 ? 418 E 1
+6378 C CA . PRO C 3 418 ? 175.053 222.037 206.869 1 47.7 ? 418 E 1
+6379 C C . PRO C 3 418 ? 173.554 222.32 207.033 1 47.7 ? 418 E 1
+6380 O O . PRO C 3 418 ? 172.766 221.664 206.372 1 47.7 ? 418 E 1
+6381 C CB . PRO C 3 418 ? 175.725 223.233 206.188 1 47.7 ? 418 E 1
+6382 C CG . PRO C 3 418 ? 175.41 223.03 204.721 1 47.7 ? 418 E 1
+6383 C CD . PRO C 3 418 ? 175.295 221.53 204.526 1 47.7 ? 418 E 1
+6384 N N . SER C 3 419 ? 173.202 223.267 207.909 1 51.16 ? 419 E 1
+6385 C CA . SER C 3 419 ? 171.777 223.648 208.102 1 51.16 ? 419 E 1
+6386 C C . SER C 3 419 ? 171 222.468 208.701 1 51.16 ? 419 E 1
+6387 O O . SER C 3 419 ? 171.624 221.418 208.949 1 51.16 ? 419 E 1
+6388 C CB . SER C 3 419 ? 171.176 224.123 206.802 1 51.16 ? 419 E 1
+6389 N N . PRO C 3 420 ? 169.683 222.592 209.001 1 48.53 ? 420 E 1
+6390 C CA . PRO C 3 420 ? 168.903 221.456 209.499 1 48.53 ? 420 E 1
+6391 C C . PRO C 3 420 ? 169.014 220.252 208.554 1 48.53 ? 420 E 1
+6392 O O . PRO C 3 420 ? 168.649 219.162 208.955 1 48.53 ? 420 E 1
+6393 C CB . PRO C 3 420 ? 167.458 221.974 209.499 1 48.53 ? 420 E 1
+6394 C CG . PRO C 3 420 ? 167.606 223.465 209.68 1 48.53 ? 420 E 1
+6395 C CD . PRO C 3 420 ? 168.87 223.815 208.923 1 48.53 ? 420 E 1
+6396 N N . TYR C 3 421 ? 169.512 220.477 207.334 1 45.31 ? 421 E 1
+6397 C CA . TYR C 3 421 ? 169.604 219.379 206.338 1 45.31 ? 421 E 1
+6398 C C . TYR C 3 421 ? 170.373 218.205 206.949 1 45.31 ? 421 E 1
+6399 O O . TYR C 3 421 ? 171.476 218.423 207.479 1 45.31 ? 421 E 1
+6400 C CB . TYR C 3 421 ? 170.254 219.876 205.045 1 45.31 ? 421 E 1
+6401 C CG . TYR C 3 421 ? 169.491 220.966 204.339 1 45.31 ? 421 E 1
+6402 C CD1 . TYR C 3 421 ? 168.487 220.665 203.435 1 45.31 ? 421 E 1
+6403 C CD2 . TYR C 3 421 ? 169.77 222.3 204.577 1 45.31 ? 421 E 1
+6404 C CE1 . TYR C 3 421 ? 167.782 221.662 202.782 1 45.31 ? 421 E 1
+6405 C CE2 . TYR C 3 421 ? 169.075 223.309 203.934 1 45.31 ? 421 E 1
+6406 C CZ . TYR C 3 421 ? 168.077 222.989 203.032 1 45.31 ? 421 E 1
+6407 O OH . TYR C 3 421 ? 167.389 223.98 202.396 1 45.31 ? 421 E 1
+6408 N N . GLU C 3 422 ? 169.8 217.001 206.894 1 42.26 ? 422 E 1
+6409 C CA . GLU C 3 422 ? 170.454 215.809 207.496 1 42.26 ? 422 E 1
+6410 C C . GLU C 3 422 ? 170.162 214.584 206.625 1 42.26 ? 422 E 1
+6411 O O . GLU C 3 422 ? 168.98 214.357 206.309 1 42.26 ? 422 E 1
+6412 C CB . GLU C 3 422 ? 169.949 215.601 208.924 1 42.26 ? 422 E 1
+6413 N N . VAL C 3 423 ? 171.197 213.825 206.258 1 33.67 ? 423 E 1
+6414 C CA . VAL C 3 423 ? 170.991 212.671 205.337 1 33.67 ? 423 E 1
+6415 C C . VAL C 3 423 ? 171.198 211.362 206.099 1 33.67 ? 423 E 1
+6416 O O . VAL C 3 423 ? 172.279 211.195 206.694 1 33.67 ? 423 E 1
+6417 C CB . VAL C 3 423 ? 171.93 212.754 204.121 1 33.67 ? 423 E 1
+6418 C CG1 . VAL C 3 423 ? 173.366 213.04 204.529 1 33.67 ? 423 E 1
+6419 C CG2 . VAL C 3 423 ? 171.85 211.498 203.268 1 33.67 ? 423 E 1
+6420 N N . ARG C 3 424 ? 170.202 210.471 206.077 1 29.03 ? 424 E 1
+6421 C CA . ARG C 3 424 ? 170.348 209.136 206.715 1 29.03 ? 424 E 1
+6422 C C . ARG C 3 424 ? 170.674 208.115 205.625 1 29.03 ? 424 E 1
+6423 O O . ARG C 3 424 ? 171.589 207.299 205.841 1 29.03 ? 424 E 1
+6424 C CB . ARG C 3 424 ? 169.058 208.74 207.434 1 29.03 ? 424 E 1
+6425 C CG . ARG C 3 424 ? 168.774 209.539 208.697 1 29.03 ? 424 E 1
+6426 C CD . ARG C 3 424 ? 167.553 209 209.416 1 29.03 ? 424 E 1
+6427 N NE . ARG C 3 424 ? 167.659 207.568 209.659 1 29.03 ? 424 E 1
+6428 C CZ . ARG C 3 424 ? 166.721 206.831 210.241 1 29.03 ? 424 E 1
+6429 N NH1 . ARG C 3 424 ? 165.594 207.391 210.647 1 29.03 ? 424 E 1
+6430 N NH2 . ARG C 3 424 ? 166.911 205.535 210.416 1 29.03 ? 424 E 1
+6431 N N . GLY C 3 425 ? 169.96 208.174 204.496 1 25.93 ? 425 E 1
+6432 C CA . GLY C 3 425 ? 170.188 207.241 203.41 1 25.93 ? 425 E 1
+6433 C C . GLY C 3 425 ? 170.183 207.898 202.045 1 25.93 ? 425 E 1
+6434 O O . GLY C 3 425 ? 169.198 208.533 201.656 1 25.93 ? 425 E 1
+6435 N N . PHE C 3 426 ? 171.278 207.748 201.309 1 18.88 ? 426 E 1
+6436 C CA . PHE C 3 426 ? 171.406 208.344 199.992 1 18.88 ? 426 E 1
+6437 C C . PHE C 3 426 ? 170.6 207.558 198.964 1 18.88 ? 426 E 1
+6438 O O . PHE C 3 426 ? 170.497 206.332 199.049 1 18.88 ? 426 E 1
+6439 C CB . PHE C 3 426 ? 172.872 208.381 199.58 1 18.88 ? 426 E 1
+6440 C CG . PHE C 3 426 ? 173.797 208.789 200.685 1 18.88 ? 426 E 1
+6441 C CD1 . PHE C 3 426 ? 173.892 210.11 201.075 1 18.88 ? 426 E 1
+6442 C CD2 . PHE C 3 426 ? 174.57 207.846 201.337 1 18.88 ? 426 E 1
+6443 C CE1 . PHE C 3 426 ? 174.742 210.482 202.094 1 18.88 ? 426 E 1
+6444 C CE2 . PHE C 3 426 ? 175.422 208.213 202.355 1 18.88 ? 426 E 1
+6445 C CZ . PHE C 3 426 ? 175.508 209.533 202.734 1 18.88 ? 426 E 1
+6446 N N . PRO C 3 427 ? 170.013 208.242 197.971 1 17.51 ? 427 E 1
+6447 C CA . PRO C 3 427 ? 169.972 209.697 197.833 1 17.51 ? 427 E 1
+6448 C C . PRO C 3 427 ? 168.709 210.302 198.426 1 17.51 ? 427 E 1
+6449 O O . PRO C 3 427 ? 167.607 209.887 198.073 1 17.51 ? 427 E 1
+6450 C CB . PRO C 3 427 ? 170.004 209.895 196.323 1 17.51 ? 427 E 1
+6451 C CG . PRO C 3 427 ? 169.286 208.703 195.788 1 17.51 ? 427 E 1
+6452 C CD . PRO C 3 427 ? 169.463 207.575 196.779 1 17.51 ? 427 E 1
+6453 N N . THR C 3 428 ? 168.862 211.266 199.324 1 26.47 ? 428 E 1
+6454 C CA . THR C 3 428 ? 167.718 211.955 199.902 1 26.47 ? 428 E 1
+6455 C C . THR C 3 428 ? 167.568 213.322 199.243 1 26.47 ? 428 E 1
+6456 O O . THR C 3 428 ? 168.564 213.996 198.95 1 26.47 ? 428 E 1
+6457 C CB . THR C 3 428 ? 167.861 212.075 201.42 1 26.47 ? 428 E 1
+6458 O OG1 . THR C 3 428 ? 166.693 212.701 201.967 1 26.47 ? 428 E 1
+6459 C CG2 . THR C 3 428 ? 169.092 212.872 201.793 1 26.47 ? 428 E 1
+6460 N N . ILE C 3 429 ? 166.327 213.721 199.002 1 31.77 ? 429 E 1
+6461 C CA . ILE C 3 429 ? 166.019 214.945 198.278 1 31.77 ? 429 E 1
+6462 C C . ILE C 3 429 ? 165.234 215.875 199.189 1 31.77 ? 429 E 1
+6463 O O . ILE C 3 429 ? 164.287 215.464 199.868 1 31.77 ? 429 E 1
+6464 C CB . ILE C 3 429 ? 165.239 214.635 196.985 1 31.77 ? 429 E 1
+6465 C CG1 . ILE C 3 429 ? 166.101 213.805 196.035 1 31.77 ? 429 E 1
+6466 C CG2 . ILE C 3 429 ? 164.809 215.911 196.303 1 31.77 ? 429 E 1
+6467 C CD1 . ILE C 3 429 ? 165.378 213.358 194.785 1 31.77 ? 429 E 1
+6468 N N . TYR C 3 430 ? 165.633 217.143 199.211 1 37.2 ? 430 E 1
+6469 C CA . TYR C 3 430 ? 165.017 218.138 200.075 1 37.2 ? 430 E 1
+6470 C C . TYR C 3 430 ? 164.58 219.342 199.253 1 37.2 ? 430 E 1
+6471 O O . TYR C 3 430 ? 165.203 219.675 198.243 1 37.2 ? 430 E 1
+6472 C CB . TYR C 3 430 ? 165.982 218.576 201.179 1 37.2 ? 430 E 1
+6473 C CG . TYR C 3 430 ? 165.959 217.672 202.388 1 37.2 ? 430 E 1
+6474 C CD1 . TYR C 3 430 ? 166.562 216.424 202.353 1 37.2 ? 430 E 1
+6475 C CD2 . TYR C 3 430 ? 165.333 218.064 203.561 1 37.2 ? 430 E 1
+6476 C CE1 . TYR C 3 430 ? 166.544 215.592 203.453 1 37.2 ? 430 E 1
+6477 C CE2 . TYR C 3 430 ? 165.31 217.239 204.667 1 37.2 ? 430 E 1
+6478 C CZ . TYR C 3 430 ? 165.917 216.004 204.607 1 37.2 ? 430 E 1
+6479 O OH . TYR C 3 430 ? 165.897 215.177 205.705 1 37.2 ? 430 E 1
+6480 N N . PHE C 3 431 ? 163.498 219.982 199.687 1 47.78 ? 431 E 1
+6481 C CA . PHE C 3 431 ? 162.951 221.162 199.032 1 47.78 ? 431 E 1
+6482 C C . PHE C 3 431 ? 162.852 222.295 200.043 1 47.78 ? 431 E 1
+6483 O O . PHE C 3 431 ? 162.179 222.159 201.07 1 47.78 ? 431 E 1
+6484 C CB . PHE C 3 431 ? 161.574 220.867 198.432 1 47.78 ? 431 E 1
+6485 C CG . PHE C 3 431 ? 161.067 221.938 197.504 1 47.78 ? 431 E 1
+6486 C CD1 . PHE C 3 431 ? 161.402 221.928 196.161 1 47.78 ? 431 E 1
+6487 C CD2 . PHE C 3 431 ? 160.246 222.948 197.973 1 47.78 ? 431 E 1
+6488 C CE1 . PHE C 3 431 ? 160.934 222.904 195.306 1 47.78 ? 431 E 1
+6489 C CE2 . PHE C 3 431 ? 159.776 223.928 197.122 1 47.78 ? 431 E 1
+6490 C CZ . PHE C 3 431 ? 160.12 223.905 195.787 1 47.78 ? 431 E 1
+6491 N N . SER C 3 432 ? 163.523 223.401 199.751 1 55.66 ? 432 E 1
+6492 C CA . SER C 3 432 ? 163.496 224.588 200.604 1 55.66 ? 432 E 1
+6493 C C . SER C 3 432 ? 162.846 225.734 199.846 1 55.66 ? 432 E 1
+6494 O O . SER C 3 432 ? 163.409 226.202 198.836 1 55.66 ? 432 E 1
+6495 C CB . SER C 3 432 ? 164.906 224.972 201.048 1 55.66 ? 432 E 1
+6496 O OG . SER C 3 432 ? 164.894 226.181 201.786 1 55.66 ? 432 E 1
+6497 N N . PRO C 3 433 ? 161.673 226.201 200.264 1 63.62 ? 433 E 1
+6498 C CA . PRO C 3 433 ? 161.053 227.351 199.6 1 63.62 ? 433 E 1
+6499 C C . PRO C 3 433 ? 161.86 228.622 199.817 1 63.62 ? 433 E 1
+6500 O O . PRO C 3 433 ? 162.827 228.66 200.583 1 63.62 ? 433 E 1
+6501 C CB . PRO C 3 433 ? 159.677 227.448 200.267 1 63.62 ? 433 E 1
+6502 C CG . PRO C 3 433 ? 159.421 226.072 200.796 1 63.62 ? 433 E 1
+6503 C CD . PRO C 3 433 ? 160.764 225.579 201.24 1 63.62 ? 433 E 1
+6504 N N . ALA C 3 434 ? 161.445 229.68 199.115 1 70.54 ? 434 E 1
+6505 C CA . ALA C 3 434 ? 162.139 230.959 199.221 1 70.54 ? 434 E 1
+6506 C C . ALA C 3 434 ? 162.099 231.491 200.646 1 70.54 ? 434 E 1
+6507 O O . ALA C 3 434 ? 163.139 231.813 201.231 1 70.54 ? 434 E 1
+6508 C CB . ALA C 3 434 ? 161.525 231.972 198.254 1 70.54 ? 434 E 1
+6509 N N . ASN C 3 435 ? 160.907 231.561 201.234 1 75.31 ? 435 E 1
+6510 C CA . ASN C 3 435 ? 160.711 232.138 202.562 1 75.31 ? 435 E 1
+6511 C C . ASN C 3 435 ? 160.611 231.067 203.64 1 75.31 ? 435 E 1
+6512 O O . ASN C 3 435 ? 160.051 231.305 204.713 1 75.31 ? 435 E 1
+6513 C CB . ASN C 3 435 ? 159.47 233.025 202.572 1 75.31 ? 435 E 1
+6514 N N . LYS C 3 436 ? 161.147 229.876 203.38 1 72.5 ? 436 E 1
+6515 C CA . LYS C 3 436 ? 161.111 228.801 204.363 1 72.5 ? 436 E 1
+6516 C C . LYS C 3 436 ? 162.469 228.116 204.453 1 72.5 ? 436 E 1
+6517 O O . LYS C 3 436 ? 162.552 226.883 204.467 1 72.5 ? 436 E 1
+6518 C CB . LYS C 3 436 ? 160.015 227.79 204.014 1 72.5 ? 436 E 1
+6519 C CG . LYS C 3 436 ? 159.469 227.009 205.206 1 72.5 ? 436 E 1
+6520 C CD . LYS C 3 436 ? 159.085 227.919 206.366 1 72.5 ? 436 E 1
+6521 C CE . LYS C 3 436 ? 158.014 228.924 205.964 1 72.5 ? 436 E 1
+6522 N NZ . LYS C 3 436 ? 157.885 230.021 206.961 1 72.5 ? 436 E 1
+6523 N N . LYS C 3 437 ? 163.54 228.911 204.512 1 67.61 ? 437 E 1
+6524 C CA . LYS C 3 437 ? 164.888 228.359 204.569 1 67.61 ? 437 E 1
+6525 C C . LYS C 3 437 ? 165.138 227.551 205.836 1 67.61 ? 437 E 1
+6526 O O . LYS C 3 437 ? 166.079 226.753 205.87 1 67.61 ? 437 E 1
+6527 C CB . LYS C 3 437 ? 165.92 229.482 204.462 1 67.61 ? 437 E 1
+6528 N N . LEU C 3 438 ? 164.326 227.74 206.873 1 70.16 ? 438 E 1
+6529 C CA . LEU C 3 438 ? 164.51 227.045 208.139 1 70.16 ? 438 E 1
+6530 C C . LEU C 3 438 ? 163.746 225.73 208.221 1 70.16 ? 438 E 1
+6531 O O . LEU C 3 438 ? 164.038 224.919 209.106 1 70.16 ? 438 E 1
+6532 C CB . LEU C 3 438 ? 164.09 227.951 209.302 1 70.16 ? 438 E 1
+6533 N N . ASN C 3 439 ? 162.785 225.492 207.33 1 70.46 ? 439 E 1
+6534 C CA . ASN C 3 439 ? 161.939 224.297 207.383 1 70.46 ? 439 E 1
+6535 C C . ASN C 3 439 ? 161.884 223.613 206.021 1 70.46 ? 439 E 1
+6536 O O . ASN C 3 439 ? 160.866 223.665 205.324 1 70.46 ? 439 E 1
+6537 C CB . ASN C 3 439 ? 160.537 224.658 207.869 1 70.46 ? 439 E 1
+6538 N N . PRO C 3 440 ? 162.969 222.958 205.608 1 57.78 ? 440 E 1
+6539 C CA . PRO C 3 440 ? 162.928 222.188 204.361 1 57.78 ? 440 E 1
+6540 C C . PRO C 3 440 ? 162.034 220.966 204.5 1 57.78 ? 440 E 1
+6541 O O . PRO C 3 440 ? 161.854 220.42 205.591 1 57.78 ? 440 E 1
+6542 C CB . PRO C 3 440 ? 164.393 221.787 204.139 1 57.78 ? 440 E 1
+6543 C CG . PRO C 3 440 ? 165.186 222.682 205.045 1 57.78 ? 440 E 1
+6544 C CD . PRO C 3 440 ? 164.304 222.916 206.223 1 57.78 ? 440 E 1
+6545 N N . LYS C 3 441 ? 161.471 220.537 203.375 1 46.65 ? 441 E 1
+6546 C CA . LYS C 3 441 ? 160.635 219.347 203.325 1 46.65 ? 441 E 1
+6547 C C . LYS C 3 441 ? 161.371 218.218 202.615 1 46.65 ? 441 E 1
+6548 O O . LYS C 3 441 ? 161.966 218.412 201.553 1 46.65 ? 441 E 1
+6549 C CB . LYS C 3 441 ? 159.312 219.637 202.612 1 46.65 ? 441 E 1
+6550 N N . LYS C 3 442 ? 161.321 217.03 203.21 1 39.62 ? 442 E 1
+6551 C CA . LYS C 3 442 ? 162.029 215.867 202.69 1 39.62 ? 442 E 1
+6552 C C . LYS C 3 442 ? 161.128 215.129 201.708 1 39.62 ? 442 E 1
+6553 O O . LYS C 3 442 ? 160.156 214.484 202.115 1 39.62 ? 442 E 1
+6554 C CB . LYS C 3 442 ? 162.468 214.939 203.82 1 39.62 ? 442 E 1
+6555 C CG . LYS C 3 442 ? 163.244 213.722 203.343 1 39.62 ? 442 E 1
+6556 C CD . LYS C 3 442 ? 163.329 212.656 204.419 1 39.62 ? 442 E 1
+6557 C CE . LYS C 3 442 ? 164.463 211.685 204.138 1 39.62 ? 442 E 1
+6558 N NZ . LYS C 3 442 ? 165.796 212.307 204.363 1 39.62 ? 442 E 1
+6559 N N . TYR C 3 443 ? 161.457 215.221 200.422 1 48.75 ? 443 E 1
+6560 C CA . TYR C 3 443 ? 160.681 214.59 199.358 1 48.75 ? 443 E 1
+6561 C C . TYR C 3 443 ? 160.962 213.095 199.362 1 48.75 ? 443 E 1
+6562 O O . TYR C 3 443 ? 161.897 212.61 198.723 1 48.75 ? 443 E 1
+6563 C CB . TYR C 3 443 ? 161.02 215.218 198.013 1 48.75 ? 443 E 1
+6564 C CG . TYR C 3 443 ? 160.236 214.646 196.862 1 48.75 ? 443 E 1
+6565 C CD1 . TYR C 3 443 ? 158.907 214.985 196.664 1 48.75 ? 443 E 1
+6566 C CD2 . TYR C 3 443 ? 160.83 213.77 195.966 1 48.75 ? 443 E 1
+6567 C CE1 . TYR C 3 443 ? 158.19 214.459 195.61 1 48.75 ? 443 E 1
+6568 C CE2 . TYR C 3 443 ? 160.122 213.243 194.91 1 48.75 ? 443 E 1
+6569 C CZ . TYR C 3 443 ? 158.804 213.592 194.735 1 48.75 ? 443 E 1
+6570 O OH . TYR C 3 443 ? 158.095 213.069 193.681 1 48.75 ? 443 E 1
+6571 N N . GLU C 3 444 ? 160.134 212.35 200.094 1 51.18 ? 444 E 1
+6572 C CA . GLU C 3 444 ? 160.267 210.903 200.201 1 51.18 ? 444 E 1
+6573 C C . GLU C 3 444 ? 159.183 210.164 199.424 1 51.18 ? 444 E 1
+6574 O O . GLU C 3 444 ? 158.77 209.073 199.829 1 51.18 ? 444 E 1
+6575 C CB . GLU C 3 444 ? 160.249 210.477 201.67 1 51.18 ? 444 E 1
+6576 N N . GLY C 3 445 ? 158.719 210.731 198.315 1 53.25 ? 445 E 1
+6577 C CA . GLY C 3 445 ? 157.696 210.085 197.519 1 53.25 ? 445 E 1
+6578 C C . GLY C 3 445 ? 158.275 209.148 196.48 1 53.25 ? 445 E 1
+6579 O O . GLY C 3 445 ? 159.039 208.238 196.815 1 53.25 ? 445 E 1
+6580 N N . GLY C 3 446 ? 157.921 209.36 195.214 1 57.1 ? 446 E 1
+6581 C CA . GLY C 3 446 ? 158.466 208.543 194.154 1 57.1 ? 446 E 1
+6582 C C . GLY C 3 446 ? 159.835 209.014 193.705 1 57.1 ? 446 E 1
+6583 O O . GLY C 3 446 ? 160.407 209.961 194.242 1 57.1 ? 446 E 1
+6584 N N . ARG C 3 447 ? 160.369 208.33 192.69 1 47.52 ? 447 E 1
+6585 C CA . ARG C 3 447 ? 161.691 208.645 192.162 1 47.52 ? 447 E 1
+6586 C C . ARG C 3 447 ? 161.68 208.79 190.644 1 47.52 ? 447 E 1
+6587 O O . ARG C 3 447 ? 162.716 208.589 190.001 1 47.52 ? 447 E 1
+6588 C CB . ARG C 3 447 ? 162.708 207.58 192.582 1 47.52 ? 447 E 1
+6589 C CG . ARG C 3 447 ? 162.873 207.432 194.088 1 47.52 ? 447 E 1
+6590 C CD . ARG C 3 447 ? 163.342 208.729 194.728 1 47.52 ? 447 E 1
+6591 N NE . ARG C 3 447 ? 163.344 208.649 196.184 1 47.52 ? 447 E 1
+6592 C CZ . ARG C 3 447 ? 163.704 209.641 196.987 1 47.52 ? 447 E 1
+6593 N NH1 . ARG C 3 447 ? 164.086 210.813 196.509 1 47.52 ? 447 E 1
+6594 N NH2 . ARG C 3 447 ? 163.679 209.451 198.303 1 47.52 ? 447 E 1
+6595 N N . GLU C 3 448 ? 160.539 209.134 190.06 1 58.61 ? 448 E 1
+6596 C CA . GLU C 3 448 ? 160.405 209.287 188.619 1 58.61 ? 448 E 1
+6597 C C . GLU C 3 448 ? 160.494 210.755 188.219 1 58.61 ? 448 E 1
+6598 O O . GLU C 3 448 ? 160.129 211.656 188.978 1 58.61 ? 448 E 1
+6599 C CB . GLU C 3 448 ? 159.083 208.691 188.131 1 58.61 ? 448 E 1
+6600 C CG . GLU C 3 448 ? 159.039 207.172 188.153 1 58.61 ? 448 E 1
+6601 C CD . GLU C 3 448 ? 160.062 206.545 187.226 1 58.61 ? 448 E 1
+6602 O OE1 . GLU C 3 448 ? 160.262 207.076 186.113 1 58.61 ? 448 E 1
+6603 O OE2 . GLU C 3 448 ? 160.666 205.521 187.608 1 58.61 ? 448 E 1
+6604 N N . LEU C 3 449 ? 160.993 210.982 187.002 1 55.69 ? 449 E 1
+6605 C CA . LEU C 3 449 ? 161.142 212.341 186.489 1 55.69 ? 449 E 1
+6606 C C . LEU C 3 449 ? 159.798 213.053 186.419 1 55.69 ? 449 E 1
+6607 O O . LEU C 3 449 ? 159.675 214.22 186.815 1 55.69 ? 449 E 1
+6608 C CB . LEU C 3 449 ? 161.81 212.298 185.113 1 55.69 ? 449 E 1
+6609 C CG . LEU C 3 449 ? 162.002 213.6 184.336 1 55.69 ? 449 E 1
+6610 C CD1 . LEU C 3 449 ? 163.298 213.538 183.56 1 55.69 ? 449 E 1
+6611 C CD2 . LEU C 3 449 ? 160.844 213.844 183.382 1 55.69 ? 449 E 1
+6612 N N . SER C 3 450 ? 158.776 212.364 185.908 1 63.59 ? 450 E 1
+6613 C CA . SER C 3 450 ? 157.441 212.95 185.857 1 63.59 ? 450 E 1
+6614 C C . SER C 3 450 ? 156.929 213.256 187.257 1 63.59 ? 450 E 1
+6615 O O . SER C 3 450 ? 156.263 214.275 187.474 1 63.59 ? 450 E 1
+6616 C CB . SER C 3 450 ? 156.483 212.011 185.126 1 63.59 ? 450 E 1
+6617 O OG . SER C 3 450 ? 156.38 210.769 185.798 1 63.59 ? 450 E 1
+6618 N N . ASP C 3 451 ? 157.234 212.386 188.222 1 58.52 ? 451 E 1
+6619 C CA . ASP C 3 451 ? 156.844 212.644 189.603 1 58.52 ? 451 E 1
+6620 C C . ASP C 3 451 ? 157.54 213.892 190.139 1 58.52 ? 451 E 1
+6621 O O . ASP C 3 451 ? 156.932 214.702 190.847 1 58.52 ? 451 E 1
+6622 C CB . ASP C 3 451 ? 157.158 211.423 190.468 1 58.52 ? 451 E 1
+6623 C CG . ASP C 3 451 ? 156.238 210.25 190.186 1 58.52 ? 451 E 1
+6624 O OD1 . ASP C 3 451 ? 155.192 210.461 189.541 1 58.52 ? 451 E 1
+6625 O OD2 . ASP C 3 451 ? 156.549 209.121 190.614 1 58.52 ? 451 E 1
+6626 N N . PHE C 3 452 ? 158.821 214.066 189.803 1 57.75 ? 452 E 1
+6627 C CA . PHE C 3 452 ? 159.535 215.275 190.204 1 57.75 ? 452 E 1
+6628 C C . PHE C 3 452 ? 158.879 216.519 189.619 1 57.75 ? 452 E 1
+6629 O O . PHE C 3 452 ? 158.671 217.518 190.321 1 57.75 ? 452 E 1
+6630 C CB . PHE C 3 452 ? 160.999 215.198 189.766 1 57.75 ? 452 E 1
+6631 C CG . PHE C 3 452 ? 161.814 214.184 190.517 1 57.75 ? 452 E 1
+6632 C CD1 . PHE C 3 452 ? 161.691 214.048 191.888 1 57.75 ? 452 E 1
+6633 C CD2 . PHE C 3 452 ? 162.722 213.38 189.848 1 57.75 ? 452 E 1
+6634 C CE1 . PHE C 3 452 ? 162.45 213.121 192.573 1 57.75 ? 452 E 1
+6635 C CE2 . PHE C 3 452 ? 163.481 212.453 190.53 1 57.75 ? 452 E 1
+6636 C CZ . PHE C 3 452 ? 163.344 212.323 191.894 1 57.75 ? 452 E 1
+6637 N N . ILE C 3 453 ? 158.563 216.483 188.322 1 63.73 ? 453 E 1
+6638 C CA . ILE C 3 453 ? 157.951 217.644 187.679 1 63.73 ? 453 E 1
+6639 C C . ILE C 3 453 ? 156.6 217.941 188.316 1 63.73 ? 453 E 1
+6640 O O . ILE C 3 453 ? 156.244 219.1 188.558 1 63.73 ? 453 E 1
+6641 C CB . ILE C 3 453 ? 157.829 217.424 186.161 1 63.73 ? 453 E 1
+6642 C CG1 . ILE C 3 453 ? 159.213 217.414 185.513 1 63.73 ? 453 E 1
+6643 C CG2 . ILE C 3 453 ? 156.978 218.511 185.527 1 63.73 ? 453 E 1
+6644 C CD1 . ILE C 3 453 ? 159.192 217.084 184.039 1 63.73 ? 453 E 1
+6645 N N . SER C 3 454 ? 155.853 216.875 188.617 1 58.63 ? 454 E 1
+6646 C CA . SER C 3 454 ? 154.535 217.048 189.28 1 58.63 ? 454 E 1
+6647 C C . SER C 3 454 ? 154.736 217.715 190.645 1 58.63 ? 454 E 1
+6648 O O . SER C 3 454 ? 153.948 218.62 190.979 1 58.63 ? 454 E 1
+6649 C CB . SER C 3 454 ? 153.813 215.732 189.414 1 58.63 ? 454 E 1
+6650 O OG . SER C 3 454 ? 154.299 215 190.528 1 58.63 ? 454 E 1
+6651 N N . TYR C 3 455 ? 155.756 217.286 191.397 1 52.16 ? 455 E 1
+6652 C CA . TYR C 3 455 ? 155.973 217.85 192.726 1 52.16 ? 455 E 1
+6653 C C . TYR C 3 455 ? 156.339 219.326 192.651 1 52.16 ? 455 E 1
+6654 O O . TYR C 3 455 ? 155.818 220.142 193.423 1 52.16 ? 455 E 1
+6655 C CB . TYR C 3 455 ? 157.057 217.074 193.469 1 52.16 ? 455 E 1
+6656 C CG . TYR C 3 455 ? 157.225 217.523 194.902 1 52.16 ? 455 E 1
+6657 C CD1 . TYR C 3 455 ? 156.286 217.187 195.868 1 52.16 ? 455 E 1
+6658 C CD2 . TYR C 3 455 ? 158.318 218.283 195.288 1 52.16 ? 455 E 1
+6659 C CE1 . TYR C 3 455 ? 156.433 217.593 197.178 1 52.16 ? 455 E 1
+6660 C CE2 . TYR C 3 455 ? 158.474 218.695 196.597 1 52.16 ? 455 E 1
+6661 C CZ . TYR C 3 455 ? 157.529 218.347 197.537 1 52.16 ? 455 E 1
+6662 O OH . TYR C 3 455 ? 157.679 218.755 198.842 1 52.16 ? 455 E 1
+6663 N N . LEU C 3 456 ? 157.242 219.688 191.739 1 54.86 ? 456 E 1
+6664 C CA . LEU C 3 456 ? 157.59 221.101 191.596 1 54.86 ? 456 E 1
+6665 C C . LEU C 3 456 ? 156.434 221.904 191.012 1 54.86 ? 456 E 1
+6666 O O . LEU C 3 456 ? 156.395 223.132 191.146 1 54.86 ? 456 E 1
+6667 C CB . LEU C 3 456 ? 158.861 221.275 190.761 1 54.86 ? 456 E 1
+6668 C CG . LEU C 3 456 ? 160.201 221.002 191.464 1 54.86 ? 456 E 1
+6669 C CD1 . LEU C 3 456 ? 160.458 219.535 191.753 1 54.86 ? 456 E 1
+6670 C CD2 . LEU C 3 456 ? 161.354 221.596 190.67 1 54.86 ? 456 E 1
+6671 N N . GLN C 3 457 ? 155.483 221.234 190.358 1 61.71 ? 457 E 1
+6672 C CA . GLN C 3 457 ? 154.242 221.9 189.983 1 61.71 ? 457 E 1
+6673 C C . GLN C 3 457 ? 153.322 222.123 191.175 1 61.71 ? 457 E 1
+6674 O O . GLN C 3 457 ? 152.68 223.176 191.254 1 61.71 ? 457 E 1
+6675 C CB . GLN C 3 457 ? 153.513 221.09 188.909 1 61.71 ? 457 E 1
+6676 N N . ARG C 3 458 ? 153.242 221.164 192.093 1 58.79 ? 458 E 1
+6677 C CA . ARG C 3 458 ? 152.403 221.28 193.279 1 58.79 ? 458 E 1
+6678 C C . ARG C 3 458 ? 152.915 222.308 194.276 1 58.79 ? 458 E 1
+6679 O O . ARG C 3 458 ? 152.129 223.11 194.789 1 58.79 ? 458 E 1
+6680 C CB . ARG C 3 458 ? 152.286 219.929 193.993 1 58.79 ? 458 E 1
+6681 C CG . ARG C 3 458 ? 151.416 219.917 195.233 1 58.79 ? 458 E 1
+6682 C CD . ARG C 3 458 ? 151.332 218.504 195.792 1 58.79 ? 458 E 1
+6683 N NE . ARG C 3 458 ? 150.487 218.419 196.977 1 58.79 ? 458 E 1
+6684 C CZ . ARG C 3 458 ? 150.099 217.281 197.537 1 58.79 ? 458 E 1
+6685 N NH1 . ARG C 3 458 ? 150.467 216.109 197.046 1 58.79 ? 458 E 1
+6686 N NH2 . ARG C 3 458 ? 149.323 217.32 198.616 1 58.79 ? 458 E 1
+6687 N N . GLU C 3 459 ? 154.218 222.308 194.561 1 55.83 ? 459 E 1
+6688 C CA . GLU C 3 459 ? 154.762 223.061 195.688 1 55.83 ? 459 E 1
+6689 C C . GLU C 3 459 ? 155.227 224.461 195.299 1 55.83 ? 459 E 1
+6690 O O . GLU C 3 459 ? 154.763 225.449 195.875 1 55.83 ? 459 E 1
+6691 C CB . GLU C 3 459 ? 155.914 222.276 196.33 1 55.83 ? 459 E 1
+6692 C CG . GLU C 3 459 ? 155.458 221.084 197.152 1 55.83 ? 459 E 1
+6693 C CD . GLU C 3 459 ? 154.551 221.483 198.298 1 55.83 ? 459 E 1
+6694 O OE1 . GLU C 3 459 ? 154.853 222.487 198.975 1 55.83 ? 459 E 1
+6695 O OE2 . GLU C 3 459 ? 153.534 220.793 198.52 1 55.83 ? 459 E 1
+6696 N N . ALA C 3 460 ? 156.145 224.563 194.341 1 61.55 ? 460 E 1
+6697 C CA . ALA C 3 460 ? 156.719 225.855 193.986 1 61.55 ? 460 E 1
+6698 C C . ALA C 3 460 ? 155.641 226.795 193.462 1 61.55 ? 460 E 1
+6699 O O . ALA C 3 460 ? 154.764 226.384 192.695 1 61.55 ? 460 E 1
+6700 C CB . ALA C 3 460 ? 157.822 225.672 192.946 1 61.55 ? 460 E 1
+6701 N N . THR C 3 461 ? 155.706 228.059 193.885 1 66.41 ? 461 E 1
+6702 C CA . THR C 3 461 ? 154.687 229.026 193.491 1 66.41 ? 461 E 1
+6703 C C . THR C 3 461 ? 154.765 229.346 192.003 1 66.41 ? 461 E 1
+6704 O O . THR C 3 461 ? 153.736 229.393 191.32 1 66.41 ? 461 E 1
+6705 C CB . THR C 3 461 ? 154.826 230.304 194.318 1 66.41 ? 461 E 1
+6706 N N . ASN C 3 462 ? 155.968 229.573 191.488 1 67.97 ? 462 E 1
+6707 C CA . ASN C 3 462 ? 156.125 229.917 190.082 1 67.97 ? 462 E 1
+6708 C C . ASN C 3 462 ? 155.834 228.7 189.207 1 67.97 ? 462 E 1
+6709 O O . ASN C 3 462 ? 156.321 227.6 189.506 1 67.97 ? 462 E 1
+6710 C CB . ASN C 3 462 ? 157.539 230.433 189.816 1 67.97 ? 462 E 1
+6711 N N . PRO C 3 463 ? 155.021 228.84 188.132 1 67.12 ? 463 E 1
+6712 C CA . PRO C 3 463 ? 154.691 227.715 187.254 1 67.12 ? 463 E 1
+6713 C C . PRO C 3 463 ? 155.962 227.113 186.638 1 67.12 ? 463 E 1
+6714 O O . PRO C 3 463 ? 156.707 227.839 186.005 1 67.12 ? 463 E 1
+6715 C CB . PRO C 3 463 ? 153.827 228.336 186.146 1 67.12 ? 463 E 1
+6716 C CG . PRO C 3 463 ? 153.252 229.578 186.784 1 67.12 ? 463 E 1
+6717 C CD . PRO C 3 463 ? 154.355 230.075 187.693 1 67.12 ? 463 E 1
+6718 N N . PRO C 3 464 ? 156.219 225.799 186.813 1 60.61 ? 464 E 1
+6719 C CA . PRO C 3 464 ? 157.401 225.148 186.239 1 60.61 ? 464 E 1
+6720 C C . PRO C 3 464 ? 157.377 225.21 184.722 1 60.61 ? 464 E 1
+6721 O O . PRO C 3 464 ? 156.329 225.415 184.105 1 60.61 ? 464 E 1
+6722 C CB . PRO C 3 464 ? 157.291 223.703 186.74 1 60.61 ? 464 E 1
+6723 C CG . PRO C 3 464 ? 156.37 223.772 187.911 1 60.61 ? 464 E 1
+6724 C CD . PRO C 3 464 ? 155.394 224.856 187.582 1 60.61 ? 464 E 1
+6725 N N . VAL C 3 465 ? 158.551 225.032 184.121 1 54.57 ? 465 E 1
+6726 C CA . VAL C 3 465 ? 158.679 225.036 182.669 1 54.57 ? 465 E 1
+6727 C C . VAL C 3 465 ? 158.926 223.614 182.184 1 54.57 ? 465 E 1
+6728 O O . VAL C 3 465 ? 159.152 222.702 182.986 1 54.57 ? 465 E 1
+6729 C CB . VAL C 3 465 ? 159.803 225.98 182.21 1 54.57 ? 465 E 1
+6730 N N . ILE C 3 466 ? 158.882 223.418 180.871 1 55.39 ? 466 E 1
+6731 C CA . ILE C 3 466 ? 159.08 222.099 180.287 1 55.39 ? 466 E 1
+6732 C C . ILE C 3 466 ? 160.453 222.014 179.632 1 55.39 ? 466 E 1
+6733 O O . ILE C 3 466 ? 160.717 222.681 178.632 1 55.39 ? 466 E 1
+6734 C CB . ILE C 3 466 ? 157.972 221.764 179.272 1 55.39 ? 466 E 1
+6735 C CG1 . ILE C 3 466 ? 156.608 221.698 179.964 1 55.39 ? 466 E 1
+6736 C CG2 . ILE C 3 466 ? 158.278 220.454 178.563 1 55.39 ? 466 E 1
+6737 C CD1 . ILE C 3 466 ? 155.836 223.004 179.943 1 55.39 ? 466 E 1
+6738 N N . GLY D 4 1 ? 212.317 205.05 186.124 1 52.15 ? 1 M 1
+6739 C CA . GLY D 4 1 ? 210.966 204.818 186.6 1 52.15 ? 1 M 1
+6740 C C . GLY D 4 1 ? 210.915 204.005 187.878 1 52.15 ? 1 M 1
+6741 O O . GLY D 4 1 ? 211.906 203.906 188.601 1 52.15 ? 1 M 1
+6742 N N . SER D 4 2 ? 209.753 203.423 188.158 1 51.07 ? 2 M 1
+6743 C CA . SER D 4 2 ? 209.594 202.61 189.356 1 51.07 ? 2 M 1
+6744 C C . SER D 4 2 ? 210.317 201.28 189.19 1 51.07 ? 2 M 1
+6745 O O . SER D 4 2 ? 210.184 200.612 188.161 1 51.07 ? 2 M 1
+6746 C CB . SER D 4 2 ? 208.113 202.375 189.645 1 51.07 ? 2 M 1
+6747 O OG . SER D 4 2 ? 207.426 201.96 188.477 1 51.07 ? 2 M 1
+6748 N N . HIS D 4 3 ? 211.083 200.897 190.206 1 36.89 ? 3 M 1
+6749 C CA . HIS D 4 3 ? 211.784 199.622 190.225 1 36.89 ? 3 M 1
+6750 C C . HIS D 4 3 ? 211.094 198.667 191.186 1 36.89 ? 3 M 1
+6751 O O . HIS D 4 3 ? 210.347 199.093 192.073 1 36.89 ? 3 M 1
+6752 C CB . HIS D 4 3 ? 213.248 199.796 190.627 1 36.89 ? 3 M 1
+6753 C CG . HIS D 4 3 ? 214.102 200.389 189.553 1 36.89 ? 3 M 1
+6754 N ND1 . HIS D 4 3 ? 214.819 199.618 188.665 1 36.89 ? 3 M 1
+6755 C CD2 . HIS D 4 3 ? 214.356 201.677 189.224 1 36.89 ? 3 M 1
+6756 C CE1 . HIS D 4 3 ? 215.478 200.405 187.834 1 36.89 ? 3 M 1
+6757 N NE2 . HIS D 4 3 ? 215.214 201.66 188.152 1 36.89 ? 3 M 1
+6758 N N . SER D 4 4 ? 211.354 197.377 191.004 1 19.98 ? 4 M 1
+6759 C CA . SER D 4 4 ? 210.733 196.324 191.788 1 19.98 ? 4 M 1
+6760 C C . SER D 4 4 ? 211.797 195.354 192.269 1 19.98 ? 4 M 1
+6761 O O . SER D 4 4 ? 212.791 195.115 191.579 1 19.98 ? 4 M 1
+6762 C CB . SER D 4 4 ? 209.689 195.565 190.963 1 19.98 ? 4 M 1
+6763 N N . MET D 4 5 ? 211.589 194.792 193.457 1 15.51 ? 5 M 1
+6764 C CA . MET D 4 5 ? 212.406 193.675 193.905 1 15.51 ? 5 M 1
+6765 C C . MET D 4 5 ? 211.495 192.629 194.524 1 15.51 ? 5 M 1
+6766 O O . MET D 4 5 ? 210.691 192.937 195.411 1 15.51 ? 5 M 1
+6767 C CB . MET D 4 5 ? 213.488 194.109 194.901 1 15.51 ? 5 M 1
+6768 C CG . MET D 4 5 ? 214.549 193.041 195.138 1 15.51 ? 5 M 1
+6769 S SD . MET D 4 5 ? 214.278 191.993 196.573 1 15.51 ? 5 M 1
+6770 C CE . MET D 4 5 ? 215.192 192.897 197.809 1 15.51 ? 5 M 1
+6771 N N . ARG D 4 6 ? 211.629 191.392 194.048 1 10.36 ? 6 M 1
+6772 C CA . ARG D 4 6 ? 210.716 190.313 194.391 1 10.36 ? 6 M 1
+6773 C C . ARG D 4 6 ? 211.506 189.074 194.778 1 10.36 ? 6 M 1
+6774 O O . ARG D 4 6 ? 212.638 188.887 194.329 1 10.36 ? 6 M 1
+6775 C CB . ARG D 4 6 ? 209.795 189.976 193.215 1 10.36 ? 6 M 1
+6776 C CG . ARG D 4 6 ? 208.872 191.1 192.791 1 10.36 ? 6 M 1
+6777 C CD . ARG D 4 6 ? 207.899 190.622 191.731 1 10.36 ? 6 M 1
+6778 N NE . ARG D 4 6 ? 207.199 191.73 191.094 1 10.36 ? 6 M 1
+6779 C CZ . ARG D 4 6 ? 207.545 192.257 189.928 1 10.36 ? 6 M 1
+6780 N NH1 . ARG D 4 6 ? 208.575 191.793 189.24 1 10.36 ? 6 M 1
+6781 N NH2 . ARG D 4 6 ? 206.841 193.274 189.441 1 10.36 ? 6 M 1
+6782 N N . TYR D 4 7 ? 210.905 188.229 195.608 1 7.81 ? 7 M 1
+6783 C CA . TYR D 4 7 ? 211.463 186.934 195.966 1 7.81 ? 7 M 1
+6784 C C . TYR D 4 7 ? 210.363 185.898 195.822 1 7.81 ? 7 M 1
+6785 O O . TYR D 4 7 ? 209.3 186.036 196.439 1 7.81 ? 7 M 1
+6786 C CB . TYR D 4 7 ? 212.01 186.943 197.394 1 7.81 ? 7 M 1
+6787 C CG . TYR D 4 7 ? 213.468 187.321 197.499 1 7.81 ? 7 M 1
+6788 C CD1 . TYR D 4 7 ? 213.85 188.55 198.018 1 7.81 ? 7 M 1
+6789 C CD2 . TYR D 4 7 ? 214.462 186.443 197.095 1 7.81 ? 7 M 1
+6790 C CE1 . TYR D 4 7 ? 215.179 188.897 198.12 1 7.81 ? 7 M 1
+6791 C CE2 . TYR D 4 7 ? 215.795 186.781 197.194 1 7.81 ? 7 M 1
+6792 C CZ . TYR D 4 7 ? 216.148 188.009 197.706 1 7.81 ? 7 M 1
+6793 O OH . TYR D 4 7 ? 217.476 188.35 197.807 1 7.81 ? 7 M 1
+6794 N N . PHE D 4 8 ? 210.616 184.872 195.011 1 4.45 ? 8 M 1
+6795 C CA . PHE D 4 8 ? 209.647 183.822 194.724 1 4.45 ? 8 M 1
+6796 C C . PHE D 4 8 ? 210.107 182.499 195.315 1 4.45 ? 8 M 1
+6797 O O . PHE D 4 8 ? 211.3 182.183 195.302 1 4.45 ? 8 M 1
+6798 C CB . PHE D 4 8 ? 209.437 183.646 193.218 1 4.45 ? 8 M 1
+6799 C CG . PHE D 4 8 ? 208.714 184.781 192.564 1 4.45 ? 8 M 1
+6800 C CD1 . PHE D 4 8 ? 209.409 185.823 191.985 1 4.45 ? 8 M 1
+6801 C CD2 . PHE D 4 8 ? 207.334 184.79 192.506 1 4.45 ? 8 M 1
+6802 C CE1 . PHE D 4 8 ? 208.74 186.862 191.377 1 4.45 ? 8 M 1
+6803 C CE2 . PHE D 4 8 ? 206.661 185.826 191.901 1 4.45 ? 8 M 1
+6804 C CZ . PHE D 4 8 ? 207.366 186.863 191.334 1 4.45 ? 8 M 1
+6805 N N . PHE D 4 9 ? 209.149 181.727 195.82 1 5.42 ? 9 M 1
+6806 C CA . PHE D 4 9 ? 209.356 180.369 196.299 1 5.42 ? 9 M 1
+6807 C C . PHE D 4 9 ? 208.285 179.501 195.662 1 5.42 ? 9 M 1
+6808 O O . PHE D 4 9 ? 207.136 179.931 195.54 1 5.42 ? 9 M 1
+6809 C CB . PHE D 4 9 ? 209.257 180.278 197.826 1 5.42 ? 9 M 1
+6810 C CG . PHE D 4 9 ? 210.182 181.207 198.559 1 5.42 ? 9 M 1
+6811 C CD1 . PHE D 4 9 ? 209.881 182.55 198.69 1 5.42 ? 9 M 1
+6812 C CD2 . PHE D 4 9 ? 211.343 180.73 199.138 1 5.42 ? 9 M 1
+6813 C CE1 . PHE D 4 9 ? 210.725 183.399 199.366 1 5.42 ? 9 M 1
+6814 C CE2 . PHE D 4 9 ? 212.191 181.578 199.818 1 5.42 ? 9 M 1
+6815 C CZ . PHE D 4 9 ? 211.879 182.914 199.933 1 5.42 ? 9 M 1
+6816 N N . THR D 4 10 ? 208.649 178.285 195.27 1 5.44 ? 10 M 1
+6817 C CA . THR D 4 10 ? 207.737 177.395 194.561 1 5.44 ? 10 M 1
+6818 C C . THR D 4 10 ? 208.039 175.96 194.956 1 5.44 ? 10 M 1
+6819 O O . THR D 4 10 ? 209.101 175.432 194.616 1 5.44 ? 10 M 1
+6820 C CB . THR D 4 10 ? 207.868 177.57 193.05 1 5.44 ? 10 M 1
+6821 O OG1 . THR D 4 10 ? 207.626 178.938 192.702 1 5.44 ? 10 M 1
+6822 C CG2 . THR D 4 10 ? 206.878 176.68 192.326 1 5.44 ? 10 M 1
+6823 N N . SER D 4 11 ? 207.111 175.332 195.669 1 9.18 ? 11 M 1
+6824 C CA . SER D 4 11 ? 207.212 173.921 196.022 1 9.18 ? 11 M 1
+6825 C C . SER D 4 11 ? 206.277 173.159 195.091 1 9.18 ? 11 M 1
+6826 O O . SER D 4 11 ? 205.054 173.313 195.154 1 9.18 ? 11 M 1
+6827 C CB . SER D 4 11 ? 206.867 173.691 197.488 1 9.18 ? 11 M 1
+6828 O OG . SER D 4 11 ? 207.564 174.598 198.324 1 9.18 ? 11 M 1
+6829 N N . VAL D 4 12 ? 206.867 172.354 194.213 1 10.26 ? 12 M 1
+6830 C CA . VAL D 4 12 ? 206.123 171.542 193.258 1 10.26 ? 12 M 1
+6831 C C . VAL D 4 12 ? 206.169 170.107 193.768 1 10.26 ? 12 M 1
+6832 O O . VAL D 4 12 ? 207.24 169.513 193.894 1 10.26 ? 12 M 1
+6833 C CB . VAL D 4 12 ? 206.698 171.658 191.846 1 10.26 ? 12 M 1
+6834 C CG1 . VAL D 4 12 ? 205.871 170.84 190.871 1 10.26 ? 12 M 1
+6835 C CG2 . VAL D 4 12 ? 206.753 173.111 191.414 1 10.26 ? 12 M 1
+6836 N N . SER D 4 13 ? 204.992 169.568 194.102 1 17.59 ? 13 M 1
+6837 C CA . SER D 4 13 ? 204.917 168.179 194.625 1 17.59 ? 13 M 1
+6838 C C . SER D 4 13 ? 205.155 167.19 193.481 1 17.59 ? 13 M 1
+6839 O O . SER D 4 13 ? 204.398 167.239 192.492 1 17.59 ? 13 M 1
+6840 C CB . SER D 4 13 ? 203.598 167.926 195.305 1 17.59 ? 13 M 1
+6841 O OG . SER D 4 13 ? 202.546 167.854 194.354 1 17.59 ? 13 M 1
+6842 N N . ARG D 4 14 ? 206.17 166.333 193.616 1 28.68 ? 14 M 1
+6843 C CA . ARG D 4 14 ? 206.496 165.35 192.55 1 28.68 ? 14 M 1
+6844 C C . ARG D 4 14 ? 206.253 163.934 193.083 1 28.68 ? 14 M 1
+6845 O O . ARG D 4 14 ? 207.191 163.352 193.662 1 28.68 ? 14 M 1
+6846 C CB . ARG D 4 14 ? 207.949 165.53 192.101 1 28.68 ? 14 M 1
+6847 C CG . ARG D 4 14 ? 208.225 166.868 191.43 1 28.68 ? 14 M 1
+6848 C CD . ARG D 4 14 ? 209.69 167.054 191.085 1 28.68 ? 14 M 1
+6849 N NE . ARG D 4 14 ? 210.151 166.084 190.101 1 28.68 ? 14 M 1
+6850 C CZ . ARG D 4 14 ? 211.411 165.947 189.706 1 28.68 ? 14 M 1
+6851 N NH1 . ARG D 4 14 ? 212.353 166.72 190.218 1 28.68 ? 14 M 1
+6852 N NH2 . ARG D 4 14 ? 211.724 165.034 188.805 1 28.68 ? 14 M 1
+6853 N N . PRO D 4 15 ? 205.042 163.357 192.916 1 37.03 ? 15 M 1
+6854 C CA . PRO D 4 15 ? 204.736 162.026 193.454 1 37.03 ? 15 M 1
+6855 C C . PRO D 4 15 ? 205.62 160.948 192.851 1 37.03 ? 15 M 1
+6856 O O . PRO D 4 15 ? 205.758 160.859 191.627 1 37.03 ? 15 M 1
+6857 C CB . PRO D 4 15 ? 203.262 161.826 193.075 1 37.03 ? 15 M 1
+6858 C CG . PRO D 4 15 ? 202.75 163.211 192.787 1 37.03 ? 15 M 1
+6859 C CD . PRO D 4 15 ? 203.905 163.925 192.179 1 37.03 ? 15 M 1
+6860 N N . GLY D 4 16 ? 206.223 160.126 193.703 1 45.25 ? 16 M 1
+6861 C CA . GLY D 4 16 ? 207.13 159.08 193.268 1 45.25 ? 16 M 1
+6862 C C . GLY D 4 16 ? 208.591 159.358 193.541 1 45.25 ? 16 M 1
+6863 O O . GLY D 4 16 ? 209.415 158.441 193.404 1 45.25 ? 16 M 1
+6864 N N . ARG D 4 17 ? 208.958 160.584 193.918 1 45.45 ? 17 M 1
+6865 C CA . ARG D 4 17 ? 210.346 160.929 194.203 1 45.45 ? 17 M 1
+6866 C C . ARG D 4 17 ? 210.519 161.512 195.602 1 45.45 ? 17 M 1
+6867 O O . ARG D 4 17 ? 211.488 162.236 195.853 1 45.45 ? 17 M 1
+6868 C CB . ARG D 4 17 ? 210.881 161.902 193.151 1 45.45 ? 17 M 1
+6869 N N . GLY D 4 18 ? 209.602 161.216 196.512 1 43.46 ? 18 M 1
+6870 C CA . GLY D 4 18 ? 209.78 161.623 197.896 1 43.46 ? 18 M 1
+6871 C C . GLY D 4 18 ? 209.467 163.092 198.107 1 43.46 ? 18 M 1
+6872 O O . GLY D 4 18 ? 208.34 163.552 197.888 1 43.46 ? 18 M 1
+6873 N N . GLU D 4 19 ? 210.474 163.84 198.547 1 33.32 ? 19 M 1
+6874 C CA . GLU D 4 19 ? 210.268 165.229 198.93 1 33.32 ? 19 M 1
+6875 C C . GLU D 4 19 ? 209.918 166.075 197.708 1 33.32 ? 19 M 1
+6876 O O . GLU D 4 19 ? 210.456 165.837 196.618 1 33.32 ? 19 M 1
+6877 C CB . GLU D 4 19 ? 211.519 165.782 199.612 1 33.32 ? 19 M 1
+6878 N N . PRO D 4 20 ? 209.025 167.055 197.842 1 15.8 ? 20 M 1
+6879 C CA . PRO D 4 20 ? 208.69 167.91 196.698 1 15.8 ? 20 M 1
+6880 C C . PRO D 4 20 ? 209.868 168.779 196.283 1 15.8 ? 20 M 1
+6881 O O . PRO D 4 20 ? 210.725 169.131 197.096 1 15.8 ? 20 M 1
+6882 C CB . PRO D 4 20 ? 207.525 168.758 197.223 1 15.8 ? 20 M 1
+6883 C CG . PRO D 4 20 ? 206.97 167.978 198.372 1 15.8 ? 20 M 1
+6884 C CD . PRO D 4 20 ? 208.162 167.331 199.001 1 15.8 ? 20 M 1
+6885 N N . ARG D 4 21 ? 209.903 169.121 194.997 1 11.97 ? 21 M 1
+6886 C CA . ARG D 4 21 ? 210.908 170.048 194.499 1 11.97 ? 21 M 1
+6887 C C . ARG D 4 21 ? 210.649 171.445 195.047 1 11.97 ? 21 M 1
+6888 O O . ARG D 4 21 ? 209.505 171.844 195.268 1 11.97 ? 21 M 1
+6889 C CB . ARG D 4 21 ? 210.897 170.069 192.971 1 11.97 ? 21 M 1
+6890 C CG . ARG D 4 21 ? 212.046 170.83 192.343 1 11.97 ? 21 M 1
+6891 C CD . ARG D 4 21 ? 212.432 170.22 191.013 1 11.97 ? 21 M 1
+6892 N NE . ARG D 4 21 ? 212.986 171.213 190.103 1 11.97 ? 21 M 1
+6893 C CZ . ARG D 4 21 ? 212.284 171.847 189.175 1 11.97 ? 21 M 1
+6894 N NH1 . ARG D 4 21 ? 210.991 171.621 189.013 1 11.97 ? 21 M 1
+6895 N NH2 . ARG D 4 21 ? 212.894 172.731 188.392 1 11.97 ? 21 M 1
+6896 N N . PHE D 4 22 ? 211.727 172.198 195.255 1 9.92 ? 22 M 1
+6897 C CA . PHE D 4 22 ? 211.656 173.526 195.863 1 9.92 ? 22 M 1
+6898 C C . PHE D 4 22 ? 212.575 174.464 195.086 1 9.92 ? 22 M 1
+6899 O O . PHE D 4 22 ? 213.792 174.261 195.053 1 9.92 ? 22 M 1
+6900 C CB . PHE D 4 22 ? 212.04 173.462 197.336 1 9.92 ? 22 M 1
+6901 C CG . PHE D 4 22 ? 212.026 174.79 198.025 1 9.92 ? 22 M 1
+6902 C CD1 . PHE D 4 22 ? 210.841 175.336 198.476 1 9.92 ? 22 M 1
+6903 C CD2 . PHE D 4 22 ? 213.199 175.485 198.234 1 9.92 ? 22 M 1
+6904 C CE1 . PHE D 4 22 ? 210.827 176.555 199.115 1 9.92 ? 22 M 1
+6905 C CE2 . PHE D 4 22 ? 213.19 176.703 198.87 1 9.92 ? 22 M 1
+6906 C CZ . PHE D 4 22 ? 212.004 177.239 199.312 1 9.92 ? 22 M 1
+6907 N N . ILE D 4 23 ? 211.999 175.487 194.463 1 6.71 ? 23 M 1
+6908 C CA . ILE D 4 23 ? 212.751 176.453 193.669 1 6.71 ? 23 M 1
+6909 C C . ILE D 4 23 ? 212.518 177.839 194.252 1 6.71 ? 23 M 1
+6910 O O . ILE D 4 23 ? 211.372 178.28 194.38 1 6.71 ? 23 M 1
+6911 C CB . ILE D 4 23 ? 212.337 176.405 192.192 1 6.71 ? 23 M 1
+6912 C CG1 . ILE D 4 23 ? 212.462 174.986 191.642 1 6.71 ? 23 M 1
+6913 C CG2 . ILE D 4 23 ? 213.182 177.359 191.38 1 6.71 ? 23 M 1
+6914 C CD1 . ILE D 4 23 ? 211.141 174.265 191.511 1 6.71 ? 23 M 1
+6915 N N . ALA D 4 24 ? 213.593 178.538 194.593 1 5.78 ? 24 M 1
+6916 C CA . ALA D 4 24 ? 213.505 179.886 195.151 1 5.78 ? 24 M 1
+6917 C C . ALA D 4 24 ? 214.381 180.809 194.311 1 5.78 ? 24 M 1
+6918 O O . ALA D 4 24 ? 215.544 180.497 194.044 1 5.78 ? 24 M 1
+6919 C CB . ALA D 4 24 ? 213.924 179.899 196.615 1 5.78 ? 24 M 1
+6920 N N . VAL D 4 25 ? 213.822 181.944 193.901 1 5.98 ? 25 M 1
+6921 C CA . VAL D 4 25 ? 214.517 182.888 193.038 1 5.98 ? 25 M 1
+6922 C C . VAL D 4 25 ? 214.347 184.302 193.583 1 5.98 ? 25 M 1
+6923 O O . VAL D 4 25 ? 213.45 184.587 194.377 1 5.98 ? 25 M 1
+6924 C CB . VAL D 4 25 ? 214.026 182.815 191.582 1 5.98 ? 25 M 1
+6925 C CG1 . VAL D 4 25 ? 214.278 181.444 190.996 1 5.98 ? 25 M 1
+6926 C CG2 . VAL D 4 25 ? 212.566 183.178 191.507 1 5.98 ? 25 M 1
+6927 N N . GLY D 4 26 ? 215.211 185.196 193.124 1 8.92 ? 26 M 1
+6928 C CA . GLY D 4 26 ? 215.113 186.601 193.473 1 8.92 ? 26 M 1
+6929 C C . GLY D 4 26 ? 215.29 187.469 192.246 1 8.92 ? 26 M 1
+6930 O O . GLY D 4 26 ? 216.228 187.294 191.466 1 8.92 ? 26 M 1
+6931 N N . TYR D 4 27 ? 214.376 188.424 192.091 1 8.02 ? 27 M 1
+6932 C CA . TYR D 4 27 ? 214.298 189.242 190.891 1 8.02 ? 27 M 1
+6933 C C . TYR D 4 27 ? 214.466 190.71 191.247 1 8.02 ? 27 M 1
+6934 O O . TYR D 4 27 ? 213.887 191.187 192.226 1 8.02 ? 27 M 1
+6935 C CB . TYR D 4 27 ? 212.951 189.071 190.184 1 8.02 ? 27 M 1
+6936 C CG . TYR D 4 27 ? 212.746 187.746 189.496 1 8.02 ? 27 M 1
+6937 C CD1 . TYR D 4 27 ? 211.539 187.077 189.603 1 8.02 ? 27 M 1
+6938 C CD2 . TYR D 4 27 ? 213.743 187.175 188.728 1 8.02 ? 27 M 1
+6939 C CE1 . TYR D 4 27 ? 211.336 185.873 188.982 1 8.02 ? 27 M 1
+6940 C CE2 . TYR D 4 27 ? 213.545 185.968 188.098 1 8.02 ? 27 M 1
+6941 C CZ . TYR D 4 27 ? 212.342 185.324 188.23 1 8.02 ? 27 M 1
+6942 O OH . TYR D 4 27 ? 212.144 184.122 187.607 1 8.02 ? 27 M 1
+6943 N N . VAL D 4 28 ? 215.431 191.386 190.623 1 14.92 ? 28 M 1
+6944 C CA . VAL D 4 28 ? 215.544 192.865 190.794 1 14.92 ? 28 M 1
+6945 C C . VAL D 4 28 ? 215.093 193.344 189.431 1 14.92 ? 28 M 1
+6946 O O . VAL D 4 28 ? 215.713 192.924 188.439 1 14.92 ? 28 M 1
+6947 C CB . VAL D 4 28 ? 216.96 193.356 191.129 1 14.92 ? 28 M 1
+6948 C CG1 . VAL D 4 28 ? 217.183 194.768 190.614 1 14.92 ? 28 M 1
+6949 C CG2 . VAL D 4 28 ? 217.235 193.294 192.622 1 14.92 ? 28 M 1
+6950 N N . ASP D 4 29 ? 214.049 194.162 189.369 1 21.87 ? 29 M 1
+6951 C CA . ASP D 4 29 ? 213.492 194.419 188.023 1 21.87 ? 29 M 1
+6952 C C . ASP D 4 29 ? 213.167 192.994 187.572 1 21.87 ? 29 M 1
+6953 O O . ASP D 4 29 ? 212.821 192.196 188.469 1 21.87 ? 29 M 1
+6954 C CB . ASP D 4 29 ? 214.468 195.158 187.109 1 21.87 ? 29 M 1
+6955 C CG . ASP D 4 29 ? 214.923 196.497 187.663 1 21.87 ? 29 M 1
+6956 O OD1 . ASP D 4 29 ? 214.703 196.737 188.866 1 21.87 ? 29 M 1
+6957 O OD2 . ASP D 4 29 ? 215.489 197.289 186.885 1 21.87 ? 29 M 1
+6958 N N . ASP D 4 30 ? 213.403 192.647 186.304 1 19.89 ? 30 M 1
+6959 C CA . ASP D 4 30 ? 213.054 191.295 185.787 1 19.89 ? 30 M 1
+6960 C C . ASP D 4 30 ? 214.316 190.439 185.596 1 19.89 ? 30 M 1
+6961 O O . ASP D 4 30 ? 214.249 189.466 184.822 1 19.89 ? 30 M 1
+6962 C CB . ASP D 4 30 ? 212.257 191.395 184.485 1 19.89 ? 30 M 1
+6963 N N . THR D 4 31 ? 215.414 190.781 186.275 1 16 ? 31 M 1
+6964 C CA . THR D 4 31 ? 216.694 190.044 186.108 1 16 ? 31 M 1
+6965 C C . THR D 4 31 ? 217.008 189.259 187.381 1 16 ? 31 M 1
+6966 O O . THR D 4 31 ? 217.18 189.905 188.427 1 16 ? 31 M 1
+6967 C CB . THR D 4 31 ? 217.829 191.023 185.798 1 16 ? 31 M 1
+6968 O OG1 . THR D 4 31 ? 217.908 191.944 186.885 1 16 ? 31 M 1
+6969 C CG2 . THR D 4 31 ? 217.617 191.779 184.506 1 16 ? 31 M 1
+6970 N N . GLN D 4 32 ? 217.095 187.927 187.302 1 11.28 ? 32 M 1
+6971 C CA . GLN D 4 32 ? 217.297 187.152 188.516 1 11.28 ? 32 M 1
+6972 C C . GLN D 4 32 ? 218.74 187.254 188.986 1 11.28 ? 32 M 1
+6973 O O . GLN D 4 32 ? 219.672 187.303 188.18 1 11.28 ? 32 M 1
+6974 C CB . GLN D 4 32 ? 216.916 185.689 188.294 1 11.28 ? 32 M 1
+6975 C CG . GLN D 4 32 ? 217.814 184.921 187.355 1 11.28 ? 32 M 1
+6976 C CD . GLN D 4 32 ? 217.327 183.506 187.138 1 11.28 ? 32 M 1
+6977 O OE1 . GLN D 4 32 ? 216.319 183.093 187.71 1 11.28 ? 32 M 1
+6978 N NE2 . GLN D 4 32 ? 218.042 182.751 186.315 1 11.28 ? 32 M 1
+6979 N N . PHE D 4 33 ? 218.918 187.301 190.302 1 16.41 ? 33 M 1
+6980 C CA . PHE D 4 33 ? 220.25 187.334 190.888 1 16.41 ? 33 M 1
+6981 C C . PHE D 4 33 ? 220.554 186.157 191.803 1 16.41 ? 33 M 1
+6982 O O . PHE D 4 33 ? 221.728 185.828 191.982 1 16.41 ? 33 M 1
+6983 C CB . PHE D 4 33 ? 220.477 188.659 191.641 1 16.41 ? 33 M 1
+6984 C CG . PHE D 4 33 ? 219.463 188.949 192.711 1 16.41 ? 33 M 1
+6985 C CD1 . PHE D 4 33 ? 218.557 189.98 192.556 1 16.41 ? 33 M 1
+6986 C CD2 . PHE D 4 33 ? 219.449 188.236 193.893 1 16.41 ? 33 M 1
+6987 C CE1 . PHE D 4 33 ? 217.632 190.259 193.543 1 16.41 ? 33 M 1
+6988 C CE2 . PHE D 4 33 ? 218.53 188.514 194.881 1 16.41 ? 33 M 1
+6989 C CZ . PHE D 4 33 ? 217.621 189.528 194.707 1 16.41 ? 33 M 1
+6990 N N . VAL D 4 34 ? 219.544 185.51 192.376 1 11.24 ? 34 M 1
+6991 C CA . VAL D 4 34 ? 219.725 184.281 193.138 1 11.24 ? 34 M 1
+6992 C C . VAL D 4 34 ? 218.694 183.267 192.67 1 11.24 ? 34 M 1
+6993 O O . VAL D 4 34 ? 217.563 183.63 192.33 1 11.24 ? 34 M 1
+6994 C CB . VAL D 4 34 ? 219.61 184.508 194.66 1 11.24 ? 34 M 1
+6995 C CG1 . VAL D 4 34 ? 220.691 185.451 195.145 1 11.24 ? 34 M 1
+6996 C CG2 . VAL D 4 34 ? 218.236 185.043 195.019 1 11.24 ? 34 M 1
+6997 N N . ARG D 4 35 ? 219.094 181.997 192.625 1 7.53 ? 35 M 1
+6998 C CA . ARG D 4 35 ? 218.168 180.931 192.253 1 7.53 ? 35 M 1
+6999 C C . ARG D 4 35 ? 218.591 179.663 192.988 1 7.53 ? 35 M 1
+7000 O O . ARG D 4 35 ? 219.493 178.954 192.537 1 7.53 ? 35 M 1
+7001 C CB . ARG D 4 35 ? 218.14 180.718 190.746 1 7.53 ? 35 M 1
+7002 C CG . ARG D 4 35 ? 217.297 179.528 190.33 1 7.53 ? 35 M 1
+7003 C CD . ARG D 4 35 ? 217.095 179.459 188.832 1 7.53 ? 35 M 1
+7004 N NE . ARG D 4 35 ? 216.4 178.236 188.455 1 7.53 ? 35 M 1
+7005 C CZ . ARG D 4 35 ? 215.085 178.084 188.487 1 7.53 ? 35 M 1
+7006 N NH1 . ARG D 4 35 ? 214.284 179.077 188.834 1 7.53 ? 35 M 1
+7007 N NH2 . ARG D 4 35 ? 214.559 176.907 188.162 1 7.53 ? 35 M 1
+7008 N N . PHE D 4 36 ? 217.939 179.389 194.113 1 12.3 ? 36 M 1
+7009 C CA . PHE D 4 36 ? 218.169 178.155 194.86 1 12.3 ? 36 M 1
+7010 C C . PHE D 4 36 ? 217.315 177.061 194.238 1 12.3 ? 36 M 1
+7011 O O . PHE D 4 36 ? 216.085 177.112 194.288 1 12.3 ? 36 M 1
+7012 C CB . PHE D 4 36 ? 217.838 178.348 196.335 1 12.3 ? 36 M 1
+7013 C CG . PHE D 4 36 ? 217.874 177.078 197.135 1 12.3 ? 36 M 1
+7014 C CD1 . PHE D 4 36 ? 219.073 176.565 197.592 1 12.3 ? 36 M 1
+7015 C CD2 . PHE D 4 36 ? 216.706 176.399 197.433 1 12.3 ? 36 M 1
+7016 C CE1 . PHE D 4 36 ? 219.105 175.398 198.329 1 12.3 ? 36 M 1
+7017 C CE2 . PHE D 4 36 ? 216.734 175.232 198.168 1 12.3 ? 36 M 1
+7018 C CZ . PHE D 4 36 ? 217.934 174.731 198.616 1 12.3 ? 36 M 1
+7019 N N . ASP D 4 37 ? 217.965 176.066 193.643 1 14.61 ? 37 M 1
+7020 C CA . ASP D 4 37 ? 217.27 174.958 193 1 14.61 ? 37 M 1
+7021 C C . ASP D 4 37 ? 217.494 173.7 193.83 1 14.61 ? 37 M 1
+7022 O O . ASP D 4 37 ? 218.638 173.289 194.049 1 14.61 ? 37 M 1
+7023 C CB . ASP D 4 37 ? 217.767 174.775 191.568 1 14.61 ? 37 M 1
+7024 C CG . ASP D 4 37 ? 216.908 173.819 190.768 1 14.61 ? 37 M 1
+7025 O OD1 . ASP D 4 37 ? 215.904 173.318 191.314 1 14.61 ? 37 M 1
+7026 O OD2 . ASP D 4 37 ? 217.235 173.571 189.589 1 14.61 ? 37 M 1
+7027 N N . SER D 4 38 ? 216.401 173.087 194.292 1 14.13 ? 38 M 1
+7028 C CA . SER D 4 38 ? 216.523 171.902 195.136 1 14.13 ? 38 M 1
+7029 C C . SER D 4 38 ? 216.998 170.695 194.338 1 14.13 ? 38 M 1
+7030 O O . SER D 4 38 ? 217.737 169.851 194.858 1 14.13 ? 38 M 1
+7031 C CB . SER D 4 38 ? 215.189 171.598 195.812 1 14.13 ? 38 M 1
+7032 O OG . SER D 4 38 ? 215.28 170.424 196.599 1 14.13 ? 38 M 1
+7033 N N . ASP D 4 39 ? 216.578 170.591 193.076 1 23.32 ? 39 M 1
+7034 C CA . ASP D 4 39 ? 216.958 169.44 192.263 1 23.32 ? 39 M 1
+7035 C C . ASP D 4 39 ? 218.461 169.407 192.014 1 23.32 ? 39 M 1
+7036 O O . ASP D 4 39 ? 219.07 168.331 191.987 1 23.32 ? 39 M 1
+7037 C CB . ASP D 4 39 ? 216.192 169.456 190.941 1 23.32 ? 39 M 1
+7038 C CG . ASP D 4 39 ? 215.901 168.063 190.421 1 23.32 ? 39 M 1
+7039 O OD1 . ASP D 4 39 ? 216.14 167.089 191.164 1 23.32 ? 39 M 1
+7040 O OD2 . ASP D 4 39 ? 215.431 167.942 189.271 1 23.32 ? 39 M 1
+7041 N N . ALA D 4 40 ? 219.075 170.572 191.824 1 26.65 ? 40 M 1
+7042 C CA . ALA D 4 40 ? 220.512 170.635 191.601 1 26.65 ? 40 M 1
+7043 C C . ALA D 4 40 ? 221.268 170.192 192.848 1 26.65 ? 40 M 1
+7044 O O . ALA D 4 40 ? 220.836 170.439 193.978 1 26.65 ? 40 M 1
+7045 C CB . ALA D 4 40 ? 220.929 172.05 191.206 1 26.65 ? 40 M 1
+7046 N N . ALA D 4 41 ? 222.408 169.531 192.634 1 37.43 ? 41 M 1
+7047 C CA . ALA D 4 41 ? 223.183 168.99 193.745 1 37.43 ? 41 M 1
+7048 C C . ALA D 4 41 ? 223.916 170.069 194.531 1 37.43 ? 41 M 1
+7049 O O . ALA D 4 41 ? 224.341 169.81 195.662 1 37.43 ? 41 M 1
+7050 C CB . ALA D 4 41 ? 224.185 167.954 193.234 1 37.43 ? 41 M 1
+7051 N N . SER D 4 42 ? 224.083 171.264 193.959 1 32.26 ? 42 M 1
+7052 C CA . SER D 4 42 ? 224.75 172.341 194.684 1 32.26 ? 42 M 1
+7053 C C . SER D 4 42 ? 223.964 172.738 195.927 1 32.26 ? 42 M 1
+7054 O O . SER D 4 42 ? 224.544 172.914 197.006 1 32.26 ? 42 M 1
+7055 C CB . SER D 4 42 ? 224.951 173.545 193.763 1 32.26 ? 42 M 1
+7056 N N . GLN D 4 43 ? 222.643 172.867 195.797 1 25.39 ? 43 M 1
+7057 C CA . GLN D 4 43 ? 221.751 173.176 196.916 1 25.39 ? 43 M 1
+7058 C C . GLN D 4 43 ? 222.221 174.418 197.672 1 25.39 ? 43 M 1
+7059 O O . GLN D 4 43 ? 222.363 174.423 198.896 1 25.39 ? 43 M 1
+7060 C CB . GLN D 4 43 ? 221.616 171.976 197.856 1 25.39 ? 43 M 1
+7061 C CG . GLN D 4 43 ? 220.412 172.037 198.789 1 25.39 ? 43 M 1
+7062 C CD . GLN D 4 43 ? 220.353 170.861 199.743 1 25.39 ? 43 M 1
+7063 O OE1 . GLN D 4 43 ? 221.28 170.056 199.812 1 25.39 ? 43 M 1
+7064 N NE2 . GLN D 4 43 ? 219.259 170.758 200.49 1 25.39 ? 43 M 1
+7065 N N . ARG D 4 44 ? 222.443 175.499 196.918 1 25.47 ? 44 M 1
+7066 C CA . ARG D 4 44 ? 222.851 176.787 197.54 1 25.47 ? 44 M 1
+7067 C C . ARG D 4 44 ? 222.217 177.924 196.732 1 25.47 ? 44 M 1
+7068 O O . ARG D 4 44 ? 221.549 177.626 195.722 1 25.47 ? 44 M 1
+7069 C CB . ARG D 4 44 ? 224.378 176.908 197.571 1 25.47 ? 44 M 1
+7070 N N . MET D 4 45 ? 222.419 179.173 197.16 1 29.85 ? 45 M 1
+7071 C CA . MET D 4 45 ? 221.869 180.338 196.414 1 29.85 ? 45 M 1
+7072 C C . MET D 4 45 ? 222.836 180.727 195.29 1 29.85 ? 45 M 1
+7073 O O . MET D 4 45 ? 223.25 181.901 195.252 1 29.85 ? 45 M 1
+7074 C CB . MET D 4 45 ? 221.652 181.534 197.346 1 29.85 ? 45 M 1
+7075 C CG . MET D 4 45 ? 220.306 181.516 198.042 1 29.85 ? 45 M 1
+7076 S SD . MET D 4 45 ? 218.937 181.599 196.859 1 29.85 ? 45 M 1
+7077 C CE . MET D 4 45 ? 217.536 181.613 197.975 1 29.85 ? 45 M 1
+7078 N N . GLU D 4 46 ? 223.186 179.775 194.426 1 26.23 ? 46 M 1
+7079 C CA . GLU D 4 46 ? 224.069 180.083 193.272 1 26.23 ? 46 M 1
+7080 C C . GLU D 4 46 ? 223.696 181.461 192.708 1 26.23 ? 46 M 1
+7081 O O . GLU D 4 46 ? 222.518 181.658 192.368 1 26.23 ? 46 M 1
+7082 C CB . GLU D 4 46 ? 223.94 178.981 192.22 1 26.23 ? 46 M 1
+7083 C CG . GLU D 4 46 ? 222.505 178.663 191.846 1 26.23 ? 46 M 1
+7084 C CD . GLU D 4 46 ? 222.34 177.404 191.012 1 26.23 ? 46 M 1
+7085 O OE1 . GLU D 4 46 ? 223.292 176.602 190.963 1 26.23 ? 46 M 1
+7086 O OE2 . GLU D 4 46 ? 221.263 177.232 190.411 1 26.23 ? 46 M 1
+7087 N N . PRO D 4 47 ? 224.64 182.422 192.596 1 32.03 ? 47 M 1
+7088 C CA . PRO D 4 47 ? 224.341 183.739 192.036 1 32.03 ? 47 M 1
+7089 C C . PRO D 4 47 ? 224.347 183.766 190.505 1 32.03 ? 47 M 1
+7090 O O . PRO D 4 47 ? 225.017 182.946 189.905 1 32.03 ? 47 M 1
+7091 C CB . PRO D 4 47 ? 225.494 184.605 192.563 1 32.03 ? 47 M 1
+7092 C CG . PRO D 4 47 ? 226.659 183.647 192.635 1 32.03 ? 47 M 1
+7093 C CD . PRO D 4 47 ? 226.044 182.317 193.022 1 32.03 ? 47 M 1
+7094 N N . ARG D 4 48 ? 223.6 184.702 189.923 1 23.14 ? 48 M 1
+7095 C CA . ARG D 4 48 ? 223.539 184.855 188.476 1 23.14 ? 48 M 1
+7096 C C . ARG D 4 48 ? 223.7 186.3 188.017 1 23.14 ? 48 M 1
+7097 O O . ARG D 4 48 ? 223.424 186.591 186.847 1 23.14 ? 48 M 1
+7098 C CB . ARG D 4 48 ? 222.223 184.299 187.915 1 23.14 ? 48 M 1
+7099 C CG . ARG D 4 48 ? 222.009 182.815 188.141 1 23.14 ? 48 M 1
+7100 C CD . ARG D 4 48 ? 222.982 181.975 187.344 1 23.14 ? 48 M 1
+7101 N NE . ARG D 4 48 ? 222.769 180.551 187.568 1 23.14 ? 48 M 1
+7102 C CZ . ARG D 4 48 ? 221.882 179.82 186.907 1 23.14 ? 48 M 1
+7103 N NH1 . ARG D 4 48 ? 221.134 180.342 185.949 1 23.14 ? 48 M 1
+7104 N NH2 . ARG D 4 48 ? 221.748 178.532 187.208 1 23.14 ? 48 M 1
+7105 N N . ALA D 4 49 ? 224.128 187.212 188.878 1 40.66 ? 49 M 1
+7106 C CA . ALA D 4 49 ? 224.229 188.613 188.507 1 40.66 ? 49 M 1
+7107 C C . ALA D 4 49 ? 225.486 189.223 189.104 1 40.66 ? 49 M 1
+7108 O O . ALA D 4 49 ? 225.902 188.852 190.207 1 40.66 ? 49 M 1
+7109 C CB . ALA D 4 49 ? 222.998 189.398 188.974 1 40.66 ? 49 M 1
+7110 N N . PRO D 4 50 ? 226.117 190.212 188.428 1 53.11 ? 50 M 1
+7111 C CA . PRO D 4 50 ? 227.305 190.873 188.971 1 53.11 ? 50 M 1
+7112 C C . PRO D 4 50 ? 227.007 191.619 190.28 1 53.11 ? 50 M 1
+7113 O O . PRO D 4 50 ? 227.886 191.667 191.12 1 53.11 ? 50 M 1
+7114 C CB . PRO D 4 50 ? 227.708 191.88 187.881 1 53.11 ? 50 M 1
+7115 C CG . PRO D 4 50 ? 227.23 191.247 186.596 1 53.11 ? 50 M 1
+7116 C CD . PRO D 4 50 ? 225.917 190.591 186.968 1 53.11 ? 50 M 1
+7117 N N . TRP D 4 51 ? 225.796 192.17 190.432 1 47.79 ? 51 M 1
+7118 C CA . TRP D 4 51 ? 225.53 192.962 191.628 1 47.79 ? 51 M 1
+7119 C C . TRP D 4 51 ? 225.363 192.1 192.872 1 47.79 ? 51 M 1
+7120 O O . TRP D 4 51 ? 225.345 192.637 193.985 1 47.79 ? 51 M 1
+7121 C CB . TRP D 4 51 ? 224.29 193.837 191.428 1 47.79 ? 51 M 1
+7122 C CG . TRP D 4 51 ? 223.018 193.086 191.169 1 47.79 ? 51 M 1
+7123 C CD1 . TRP D 4 51 ? 222.183 192.545 192.102 1 47.79 ? 51 M 1
+7124 C CD2 . TRP D 4 51 ? 222.424 192.813 189.896 1 47.79 ? 51 M 1
+7125 N NE1 . TRP D 4 51 ? 221.112 191.944 191.49 1 47.79 ? 51 M 1
+7126 C CE2 . TRP D 4 51 ? 221.236 192.096 190.135 1 47.79 ? 51 M 1
+7127 C CE3 . TRP D 4 51 ? 222.784 193.102 188.577 1 47.79 ? 51 M 1
+7128 C CZ2 . TRP D 4 51 ? 220.405 191.663 189.105 1 47.79 ? 51 M 1
+7129 C CZ3 . TRP D 4 51 ? 221.96 192.669 187.555 1 47.79 ? 51 M 1
+7130 C CH2 . TRP D 4 51 ? 220.785 191.956 187.825 1 47.79 ? 51 M 1
+7131 N N . ILE D 4 52 ? 225.24 190.784 192.712 1 41.97 ? 52 M 1
+7132 C CA . ILE D 4 52 ? 225.165 189.863 193.841 1 41.97 ? 52 M 1
+7133 C C . ILE D 4 52 ? 226.403 188.989 193.963 1 41.97 ? 52 M 1
+7134 O O . ILE D 4 52 ? 226.603 188.369 195.02 1 41.97 ? 52 M 1
+7135 C CB . ILE D 4 52 ? 223.899 188.983 193.762 1 41.97 ? 52 M 1
+7136 C CG1 . ILE D 4 52 ? 223.602 188.317 195.107 1 41.97 ? 52 M 1
+7137 C CG2 . ILE D 4 52 ? 224.057 187.936 192.683 1 41.97 ? 52 M 1
+7138 C CD1 . ILE D 4 52 ? 223.338 189.285 196.224 1 41.97 ? 52 M 1
+7139 N N . GLU D 4 53 ? 227.25 188.932 192.933 1 51.32 ? 53 M 1
+7140 C CA . GLU D 4 53 ? 228.423 188.064 192.984 1 51.32 ? 53 M 1
+7141 C C . GLU D 4 53 ? 229.385 188.488 194.087 1 51.32 ? 53 M 1
+7142 O O . GLU D 4 53 ? 229.959 187.639 194.778 1 51.32 ? 53 M 1
+7143 C CB . GLU D 4 53 ? 229.131 188.06 191.629 1 51.32 ? 53 M 1
+7144 N N . GLN D 4 54 ? 229.573 189.795 194.27 1 54.92 ? 54 M 1
+7145 C CA . GLN D 4 54 ? 230.543 190.303 195.241 1 54.92 ? 54 M 1
+7146 C C . GLN D 4 54 ? 229.912 190.354 196.634 1 54.92 ? 54 M 1
+7147 O O . GLN D 4 54 ? 229.739 191.409 197.246 1 54.92 ? 54 M 1
+7148 C CB . GLN D 4 54 ? 231.06 191.669 194.808 1 54.92 ? 54 M 1
+7149 C CG . GLN D 4 54 ? 230.015 192.549 194.146 1 54.92 ? 54 M 1
+7150 C CD . GLN D 4 54 ? 230.589 193.859 193.649 1 54.92 ? 54 M 1
+7151 O OE1 . GLN D 4 54 ? 231.795 194.092 193.73 1 54.92 ? 54 M 1
+7152 N NE2 . GLN D 4 54 ? 229.726 194.726 193.133 1 54.92 ? 54 M 1
+7153 N N . GLU D 4 55 ? 229.577 189.166 197.134 1 55.19 ? 55 M 1
+7154 C CA . GLU D 4 55 ? 229.076 188.993 198.491 1 55.19 ? 55 M 1
+7155 C C . GLU D 4 55 ? 229.882 187.9 199.172 1 55.19 ? 55 M 1
+7156 O O . GLU D 4 55 ? 230.204 186.886 198.547 1 55.19 ? 55 M 1
+7157 C CB . GLU D 4 55 ? 227.582 188.637 198.502 1 55.19 ? 55 M 1
+7158 C CG . GLU D 4 55 ? 226.616 189.71 197.974 1 55.19 ? 55 M 1
+7159 C CD . GLU D 4 55 ? 226.681 191.05 198.704 1 55.19 ? 55 M 1
+7160 O OE1 . GLU D 4 55 ? 226.811 191.036 199.947 1 55.19 ? 55 M 1
+7161 O OE2 . GLU D 4 55 ? 226.673 192.114 198.047 1 55.19 ? 55 M 1
+7162 N N . GLY D 4 56 ? 230.207 188.109 200.445 1 59.34 ? 56 M 1
+7163 C CA . GLY D 4 56 ? 230.974 187.151 201.202 1 59.34 ? 56 M 1
+7164 C C . GLY D 4 56 ? 230.226 185.849 201.397 1 59.34 ? 56 M 1
+7165 O O . GLY D 4 56 ? 228.992 185.81 201.41 1 59.34 ? 56 M 1
+7166 N N . PRO D 4 57 ? 230.968 184.747 201.548 1 59.94 ? 57 M 1
+7167 C CA . PRO D 4 57 ? 230.311 183.443 201.728 1 59.94 ? 57 M 1
+7168 C C . PRO D 4 57 ? 229.447 183.36 202.975 1 59.94 ? 57 M 1
+7169 O O . PRO D 4 57 ? 228.527 182.534 203.008 1 59.94 ? 57 M 1
+7170 C CB . PRO D 4 57 ? 231.488 182.461 201.8 1 59.94 ? 57 M 1
+7171 C CG . PRO D 4 57 ? 232.657 183.296 202.21 1 59.94 ? 57 M 1
+7172 C CD . PRO D 4 57 ? 232.435 184.642 201.591 1 59.94 ? 57 M 1
+7173 N N . GLU D 4 58 ? 229.717 184.171 204.003 1 66.07 ? 58 M 1
+7174 C CA . GLU D 4 58 ? 228.86 184.178 205.187 1 66.07 ? 58 M 1
+7175 C C . GLU D 4 58 ? 227.457 184.667 204.846 1 66.07 ? 58 M 1
+7176 O O . GLU D 4 58 ? 226.461 184.101 205.312 1 66.07 ? 58 M 1
+7177 C CB . GLU D 4 58 ? 229.48 185.047 206.282 1 66.07 ? 58 M 1
+7178 N N . TYR D 4 59 ? 227.361 185.714 204.024 1 58.08 ? 59 M 1
+7179 C CA . TYR D 4 59 ? 226.064 186.155 203.519 1 58.08 ? 59 M 1
+7180 C C . TYR D 4 59 ? 225.376 185.05 202.733 1 58.08 ? 59 M 1
+7181 O O . TYR D 4 59 ? 224.157 184.847 202.853 1 58.08 ? 59 M 1
+7182 C CB . TYR D 4 59 ? 226.249 187.398 202.649 1 58.08 ? 59 M 1
+7183 C CG . TYR D 4 59 ? 224.967 187.97 202.089 1 58.08 ? 59 M 1
+7184 C CD1 . TYR D 4 59 ? 224.096 188.696 202.885 1 58.08 ? 59 M 1
+7185 C CD2 . TYR D 4 59 ? 224.644 187.801 200.747 1 58.08 ? 59 M 1
+7186 C CE1 . TYR D 4 59 ? 222.927 189.223 202.367 1 58.08 ? 59 M 1
+7187 C CE2 . TYR D 4 59 ? 223.48 188.326 200.219 1 58.08 ? 59 M 1
+7188 C CZ . TYR D 4 59 ? 222.625 189.037 201.036 1 58.08 ? 59 M 1
+7189 O OH . TYR D 4 59 ? 221.462 189.566 200.526 1 58.08 ? 59 M 1
+7190 N N . TRP D 4 60 ? 226.143 184.331 201.912 1 54.14 ? 60 M 1
+7191 C CA . TRP D 4 60 ? 225.555 183.287 201.088 1 54.14 ? 60 M 1
+7192 C C . TRP D 4 60 ? 224.996 182.172 201.963 1 54.14 ? 60 M 1
+7193 O O . TRP D 4 60 ? 223.901 181.66 201.715 1 54.14 ? 60 M 1
+7194 C CB . TRP D 4 60 ? 226.591 182.73 200.11 1 54.14 ? 60 M 1
+7195 C CG . TRP D 4 60 ? 226.7 183.517 198.844 1 54.14 ? 60 M 1
+7196 C CD1 . TRP D 4 60 ? 227.826 184.114 198.361 1 54.14 ? 60 M 1
+7197 C CD2 . TRP D 4 60 ? 225.635 183.927 197.983 1 54.14 ? 60 M 1
+7198 N NE1 . TRP D 4 60 ? 227.546 184.794 197.208 1 54.14 ? 60 M 1
+7199 C CE2 . TRP D 4 60 ? 226.205 184.705 196.959 1 54.14 ? 60 M 1
+7200 C CE3 . TRP D 4 60 ? 224.26 183.685 197.957 1 54.14 ? 60 M 1
+7201 C CZ2 . TRP D 4 60 ? 225.453 185.243 195.927 1 54.14 ? 60 M 1
+7202 C CZ3 . TRP D 4 60 ? 223.516 184.224 196.933 1 54.14 ? 60 M 1
+7203 C CH2 . TRP D 4 60 ? 224.114 184.987 195.929 1 54.14 ? 60 M 1
+7204 N N . ASP D 4 61 ? 225.735 181.795 203.013 1 62.49 ? 61 M 1
+7205 C CA . ASP D 4 61 ? 225.252 180.776 203.948 1 62.49 ? 61 M 1
+7206 C C . ASP D 4 61 ? 224.045 181.279 204.737 1 62.49 ? 61 M 1
+7207 O O . ASP D 4 61 ? 223.17 180.49 205.121 1 62.49 ? 61 M 1
+7208 C CB . ASP D 4 61 ? 226.375 180.357 204.897 1 62.49 ? 61 M 1
+7209 C CG . ASP D 4 61 ? 227.451 179.547 204.207 1 62.49 ? 61 M 1
+7210 O OD1 . ASP D 4 61 ? 227.114 178.858 203.216 1 62.49 ? 61 M 1
+7211 O OD2 . ASP D 4 61 ? 228.619 179.597 204.655 1 62.49 ? 61 M 1
+7212 N N . GLN D 4 62 ? 224.002 182.587 205.018 1 58.46 ? 62 M 1
+7213 C CA . GLN D 4 62 ? 222.841 183.161 205.689 1 58.46 ? 62 M 1
+7214 C C . GLN D 4 62 ? 221.591 182.961 204.855 1 58.46 ? 62 M 1
+7215 O O . GLN D 4 62 ? 220.591 182.402 205.33 1 58.46 ? 62 M 1
+7216 C CB . GLN D 4 62 ? 223.072 184.654 205.965 1 58.46 ? 62 M 1
+7217 C CG . GLN D 4 62 ? 221.96 185.338 206.779 1 58.46 ? 62 M 1
+7218 C CD . GLN D 4 62 ? 221.841 184.774 208.173 1 58.46 ? 62 M 1
+7219 O OE1 . GLN D 4 62 ? 222.796 184.829 208.943 1 58.46 ? 62 M 1
+7220 N NE2 . GLN D 4 62 ? 220.677 184.224 208.511 1 58.46 ? 62 M 1
+7221 N N . GLU D 4 63 ? 221.652 183.371 203.586 1 55.76 ? 63 M 1
+7222 C CA . GLU D 4 63 ? 220.534 183.125 202.681 1 55.76 ? 63 M 1
+7223 C C . GLU D 4 63 ? 220.284 181.631 202.523 1 55.76 ? 63 M 1
+7224 O O . GLU D 4 63 ? 219.142 181.203 202.328 1 55.76 ? 63 M 1
+7225 C CB . GLU D 4 63 ? 220.794 183.778 201.323 1 55.76 ? 63 M 1
+7226 C CG . GLU D 4 63 ? 220.834 185.306 201.373 1 55.76 ? 63 M 1
+7227 C CD . GLU D 4 63 ? 219.508 185.897 201.819 1 55.76 ? 63 M 1
+7228 O OE1 . GLU D 4 63 ? 218.463 185.409 201.352 1 55.76 ? 63 M 1
+7229 O OE2 . GLU D 4 63 ? 219.501 186.84 202.638 1 55.76 ? 63 M 1
+7230 N N . THR D 4 64 ? 221.362 180.847 202.628 1 48.31 ? 64 M 1
+7231 C CA . THR D 4 64 ? 221.249 179.372 202.479 1 48.31 ? 64 M 1
+7232 C C . THR D 4 64 ? 220.323 178.81 203.561 1 48.31 ? 64 M 1
+7233 O O . THR D 4 64 ? 219.32 178.17 203.192 1 48.31 ? 64 M 1
+7234 C CB . THR D 4 64 ? 222.627 178.701 202.527 1 48.31 ? 64 M 1
+7235 O OG1 . THR D 4 64 ? 223.388 179.174 201.415 1 48.31 ? 64 M 1
+7236 C CG2 . THR D 4 64 ? 222.547 177.191 202.485 1 48.31 ? 64 M 1
+7237 N N . ARG D 4 65 ? 220.689 179.001 204.831 1 62 ? 65 M 1
+7238 C CA . ARG D 4 65 ? 219.871 178.485 205.958 1 62 ? 65 M 1
+7239 C C . ARG D 4 65 ? 218.472 179.094 205.861 1 62 ? 65 M 1
+7240 O O . ARG D 4 65 ? 217.488 178.349 206.037 1 62 ? 65 M 1
+7241 C CB . ARG D 4 65 ? 220.545 178.841 207.286 1 62 ? 65 M 1
+7242 C CG . ARG D 4 65 ? 221.867 178.122 207.508 1 62 ? 65 M 1
+7243 C CD . ARG D 4 65 ? 222.494 178.45 208.849 1 62 ? 65 M 1
+7244 N NE . ARG D 4 65 ? 223.79 177.807 209.008 1 62 ? 65 M 1
+7245 C CZ . ARG D 4 65 ? 224.611 178.009 210.031 1 62 ? 65 M 1
+7246 N NH1 . ARG D 4 65 ? 224.271 178.846 210.996 1 62 ? 65 M 1
+7247 N NH2 . ARG D 4 65 ? 225.769 177.376 210.086 1 62 ? 65 M 1
+7248 N N . ASN D 4 66 ? 218.397 180.398 205.579 1 56.35 ? 66 M 1
+7249 C CA . ASN D 4 66 ? 217.098 181.058 205.457 1 56.35 ? 66 M 1
+7250 C C . ASN D 4 66 ? 216.186 180.297 204.5 1 56.35 ? 66 M 1
+7251 O O . ASN D 4 66 ? 215.063 179.914 204.858 1 56.35 ? 66 M 1
+7252 C CB . ASN D 4 66 ? 217.284 182.502 204.979 1 56.35 ? 66 M 1
+7253 C CG . ASN D 4 66 ? 215.993 183.314 205.022 1 56.35 ? 66 M 1
+7254 O OD1 . ASN D 4 66 ? 214.932 182.806 205.384 1 56.35 ? 66 M 1
+7255 N ND2 . ASN D 4 66 ? 216.083 184.584 204.639 1 56.35 ? 66 M 1
+7256 N N . VAL D 4 67 ? 216.666 180.041 203.283 1 44.09 ? 67 M 1
+7257 C CA . VAL D 4 67 ? 215.821 179.405 202.282 1 44.09 ? 67 M 1
+7258 C C . VAL D 4 67 ? 215.568 177.948 202.647 1 44.09 ? 67 M 1
+7259 O O . VAL D 4 67 ? 214.506 177.395 202.346 1 44.09 ? 67 M 1
+7260 C CB . VAL D 4 67 ? 216.436 179.549 200.879 1 44.09 ? 67 M 1
+7261 C CG1 . VAL D 4 67 ? 217.717 178.75 200.758 1 44.09 ? 67 M 1
+7262 C CG2 . VAL D 4 67 ? 215.439 179.133 199.822 1 44.09 ? 67 M 1
+7263 N N . LYS D 4 68 ? 216.551 177.323 203.3 1 45.52 ? 68 M 1
+7264 C CA . LYS D 4 68 ? 216.388 175.909 203.731 1 45.52 ? 68 M 1
+7265 C C . LYS D 4 68 ? 215.231 175.83 204.731 1 45.52 ? 68 M 1
+7266 O O . LYS D 4 68 ? 214.33 174.993 204.526 1 45.52 ? 68 M 1
+7267 C CB . LYS D 4 68 ? 217.693 175.379 204.333 1 45.52 ? 68 M 1
+7268 C CG . LYS D 4 68 ? 218.805 175.118 203.327 1 45.52 ? 68 M 1
+7269 C CD . LYS D 4 68 ? 220.064 174.558 203.952 1 45.52 ? 68 M 1
+7270 C CE . LYS D 4 68 ? 221.08 174.106 202.925 1 45.52 ? 68 M 1
+7271 N NZ . LYS D 4 68 ? 222.308 173.576 203.564 1 45.52 ? 68 M 1
+7272 N N . ALA D 4 69 ? 215.256 176.676 205.765 1 52.71 ? 69 M 1
+7273 C CA . ALA D 4 69 ? 214.182 176.685 206.753 1 52.71 ? 69 M 1
+7274 C C . ALA D 4 69 ? 212.844 177.017 206.103 1 52.71 ? 69 M 1
+7275 O O . ALA D 4 69 ? 211.808 176.431 206.456 1 52.71 ? 69 M 1
+7276 C CB . ALA D 4 69 ? 214.501 177.681 207.866 1 52.71 ? 69 M 1
+7277 N N . GLN D 4 70 ? 212.846 177.954 205.151 1 39.8 ? 70 M 1
+7278 C CA . GLN D 4 70 ? 211.616 178.265 204.432 1 39.8 ? 70 M 1
+7279 C C . GLN D 4 70 ? 211.092 177.04 203.693 1 39.8 ? 70 M 1
+7280 O O . GLN D 4 70 ? 209.884 176.784 203.682 1 39.8 ? 70 M 1
+7281 C CB . GLN D 4 70 ? 211.849 179.423 203.464 1 39.8 ? 70 M 1
+7282 C CG . GLN D 4 70 ? 210.594 179.883 202.744 1 39.8 ? 70 M 1
+7283 C CD . GLN D 4 70 ? 209.527 180.385 203.697 1 39.8 ? 70 M 1
+7284 O OE1 . GLN D 4 70 ? 209.746 181.336 204.447 1 39.8 ? 70 M 1
+7285 N NE2 . GLN D 4 70 ? 208.364 179.745 203.674 1 39.8 ? 70 M 1
+7286 N N . SER D 4 71 ? 211.988 176.269 203.076 1 35.71 ? 71 M 1
+7287 C CA . SER D 4 71 ? 211.589 175.042 202.391 1 35.71 ? 71 M 1
+7288 C C . SER D 4 71 ? 211.029 174.022 203.373 1 35.71 ? 71 M 1
+7289 O O . SER D 4 71 ? 210.051 173.324 203.076 1 35.71 ? 71 M 1
+7290 C CB . SER D 4 71 ? 212.78 174.455 201.636 1 35.71 ? 71 M 1
+7291 O OG . SER D 4 71 ? 212.485 173.155 201.154 1 35.71 ? 71 M 1
+7292 N N . GLN D 4 72 ? 211.661 173.903 204.542 1 45.03 ? 72 M 1
+7293 C CA . GLN D 4 72 ? 211.181 172.957 205.543 1 45.03 ? 72 M 1
+7294 C C . GLN D 4 72 ? 209.766 173.301 205.989 1 45.03 ? 72 M 1
+7295 O O . GLN D 4 72 ? 208.934 172.408 206.186 1 45.03 ? 72 M 1
+7296 C CB . GLN D 4 72 ? 212.132 172.927 206.739 1 45.03 ? 72 M 1
+7297 C CG . GLN D 4 72 ? 211.789 171.865 207.767 1 45.03 ? 72 M 1
+7298 C CD . GLN D 4 72 ? 212.843 171.749 208.849 1 45.03 ? 72 M 1
+7299 O OE1 . GLN D 4 72 ? 213.886 172.4 208.79 1 45.03 ? 72 M 1
+7300 N NE2 . GLN D 4 72 ? 212.576 170.913 209.845 1 45.03 ? 72 M 1
+7301 N N . THR D 4 73 ? 209.477 174.592 206.161 1 44.43 ? 73 M 1
+7302 C CA . THR D 4 73 ? 208.114 175.002 206.495 1 44.43 ? 73 M 1
+7303 C C . THR D 4 73 ? 207.166 174.772 205.318 1 44.43 ? 73 M 1
+7304 O O . THR D 4 73 ? 206.031 174.304 205.489 1 44.43 ? 73 M 1
+7305 C CB . THR D 4 73 ? 208.1 176.471 206.924 1 44.43 ? 73 M 1
+7306 O OG1 . THR D 4 73 ? 208.859 176.625 208.13 1 44.43 ? 73 M 1
+7307 C CG2 . THR D 4 73 ? 206.676 176.943 207.167 1 44.43 ? 73 M 1
+7308 N N . ASP D 4 74 ? 207.629 175.088 204.106 1 34.11 ? 74 M 1
+7309 C CA . ASP D 4 74 ? 206.755 175.071 202.939 1 34.11 ? 74 M 1
+7310 C C . ASP D 4 74 ? 206.34 173.66 202.552 1 34.11 ? 74 M 1
+7311 O O . ASP D 4 74 ? 205.225 173.462 202.066 1 34.11 ? 74 M 1
+7312 C CB . ASP D 4 74 ? 207.442 175.76 201.76 1 34.11 ? 74 M 1
+7313 N N . ARG D 4 75 ? 207.219 172.672 202.727 1 35.91 ? 75 M 1
+7314 C CA . ARG D 4 75 ? 206.824 171.306 202.392 1 35.91 ? 75 M 1
+7315 C C . ARG D 4 75 ? 205.72 170.8 203.317 1 35.91 ? 75 M 1
+7316 O O . ARG D 4 75 ? 204.776 170.146 202.856 1 35.91 ? 75 M 1
+7317 C CB . ARG D 4 75 ? 208.04 170.377 202.418 1 35.91 ? 75 M 1
+7318 C CG . ARG D 4 75 ? 208.785 170.312 203.737 1 35.91 ? 75 M 1
+7319 C CD . ARG D 4 75 ? 210.018 169.432 203.611 1 35.91 ? 75 M 1
+7320 N NE . ARG D 4 75 ? 209.675 168.045 203.321 1 35.91 ? 75 M 1
+7321 C CZ . ARG D 4 75 ? 210.561 167.095 203.054 1 35.91 ? 75 M 1
+7322 N NH1 . ARG D 4 75 ? 211.859 167.346 203.035 1 35.91 ? 75 M 1
+7323 N NH2 . ARG D 4 75 ? 210.133 165.862 202.796 1 35.91 ? 75 M 1
+7324 N N . VAL D 4 76 ? 205.807 171.11 204.612 1 34.58 ? 76 M 1
+7325 C CA . VAL D 4 76 ? 204.734 170.756 205.537 1 34.58 ? 76 M 1
+7326 C C . VAL D 4 76 ? 203.454 171.498 205.177 1 34.58 ? 76 M 1
+7327 O O . VAL D 4 76 ? 202.35 170.936 205.248 1 34.58 ? 76 M 1
+7328 C CB . VAL D 4 76 ? 205.166 171.04 206.987 1 34.58 ? 76 M 1
+7329 C CG1 . VAL D 4 76 ? 204.047 170.686 207.955 1 34.58 ? 76 M 1
+7330 C CG2 . VAL D 4 76 ? 206.433 170.27 207.322 1 34.58 ? 76 M 1
+7331 N N . ASP D 4 77 ? 203.574 172.775 204.802 1 30.59 ? 77 M 1
+7332 C CA . ASP D 4 77 ? 202.39 173.522 204.388 1 30.59 ? 77 M 1
+7333 C C . ASP D 4 77 ? 201.754 172.916 203.141 1 30.59 ? 77 M 1
+7334 O O . ASP D 4 77 ? 200.525 172.836 203.051 1 30.59 ? 77 M 1
+7335 C CB . ASP D 4 77 ? 202.746 174.989 204.15 1 30.59 ? 77 M 1
+7336 C CG . ASP D 4 77 ? 201.572 175.917 204.395 1 30.59 ? 77 M 1
+7337 O OD1 . ASP D 4 77 ? 200.634 175.515 205.114 1 30.59 ? 77 M 1
+7338 O OD2 . ASP D 4 77 ? 201.59 177.051 203.872 1 30.59 ? 77 M 1
+7339 N N . LEU D 4 78 ? 202.571 172.48 202.181 1 22.95 ? 78 M 1
+7340 C CA . LEU D 4 78 ? 202.047 171.818 200.99 1 22.95 ? 78 M 1
+7341 C C . LEU D 4 78 ? 201.339 170.521 201.355 1 22.95 ? 78 M 1
+7342 O O . LEU D 4 78 ? 200.268 170.214 200.82 1 22.95 ? 78 M 1
+7343 C CB . LEU D 4 78 ? 203.178 171.548 199.998 1 22.95 ? 78 M 1
+7344 C CG . LEU D 4 78 ? 202.831 170.705 198.769 1 22.95 ? 78 M 1
+7345 C CD1 . LEU D 4 78 ? 201.615 171.261 198.05 1 22.95 ? 78 M 1
+7346 C CD2 . LEU D 4 78 ? 204.016 170.614 197.826 1 22.95 ? 78 M 1
+7347 N N . GLY D 4 79 ? 201.929 169.742 202.262 1 26.64 ? 79 M 1
+7348 C CA . GLY D 4 79 ? 201.288 168.505 202.681 1 26.64 ? 79 M 1
+7349 C C . GLY D 4 79 ? 199.934 168.741 203.325 1 26.64 ? 79 M 1
+7350 O O . GLY D 4 79 ? 198.94 168.097 202.969 1 26.64 ? 79 M 1
+7351 N N . THR D 4 80 ? 199.87 169.687 204.265 1 27.02 ? 80 M 1
+7352 C CA . THR D 4 80 ? 198.606 169.949 204.948 1 27.02 ? 80 M 1
+7353 C C . THR D 4 80 ? 197.574 170.547 203.995 1 27.02 ? 80 M 1
+7354 O O . THR D 4 80 ? 196.375 170.269 204.109 1 27.02 ? 80 M 1
+7355 C CB . THR D 4 80 ? 198.825 170.843 206.174 1 27.02 ? 80 M 1
+7356 O OG1 . THR D 4 80 ? 197.602 170.942 206.914 1 27.02 ? 80 M 1
+7357 C CG2 . THR D 4 80 ? 199.28 172.234 205.788 1 27.02 ? 80 M 1
+7358 N N . LEU D 4 81 ? 198.018 171.37 203.04 1 23.21 ? 81 M 1
+7359 C CA . LEU D 4 81 ? 197.09 171.919 202.057 1 23.21 ? 81 M 1
+7360 C C . LEU D 4 81 ? 196.527 170.824 201.161 1 23.21 ? 81 M 1
+7361 O O . LEU D 4 81 ? 195.318 170.777 200.907 1 23.21 ? 81 M 1
+7362 C CB . LEU D 4 81 ? 197.781 172.997 201.226 1 23.21 ? 81 M 1
+7363 C CG . LEU D 4 81 ? 197.581 174.426 201.725 1 23.21 ? 81 M 1
+7364 C CD1 . LEU D 4 81 ? 198.32 175.403 200.833 1 23.21 ? 81 M 1
+7365 C CD2 . LEU D 4 81 ? 196.103 174.766 201.79 1 23.21 ? 81 M 1
+7366 N N . ARG D 4 82 ? 197.392 169.931 200.67 1 26.24 ? 82 M 1
+7367 C CA . ARG D 4 82 ? 196.923 168.82 199.85 1 26.24 ? 82 M 1
+7368 C C . ARG D 4 82 ? 195.957 167.941 200.628 1 26.24 ? 82 M 1
+7369 O O . ARG D 4 82 ? 194.998 167.403 200.062 1 26.24 ? 82 M 1
+7370 C CB . ARG D 4 82 ? 198.11 167.997 199.347 1 26.24 ? 82 M 1
+7371 N N . GLY D 4 83 ? 196.196 167.782 201.93 1 30.85 ? 83 M 1
+7372 C CA . GLY D 4 83 ? 195.241 167.064 202.758 1 30.85 ? 83 M 1
+7373 C C . GLY D 4 83 ? 193.914 167.79 202.887 1 30.85 ? 83 M 1
+7374 O O . GLY D 4 83 ? 192.852 167.162 202.898 1 30.85 ? 83 M 1
+7375 N N . TYR D 4 84 ? 193.955 169.121 202.99 1 23.71 ? 84 M 1
+7376 C CA . TYR D 4 84 ? 192.727 169.883 203.204 1 23.71 ? 84 M 1
+7377 C C . TYR D 4 84 ? 191.841 169.886 201.963 1 23.71 ? 84 M 1
+7378 O O . TYR D 4 84 ? 190.631 169.65 202.058 1 23.71 ? 84 M 1
+7379 C CB . TYR D 4 84 ? 193.06 171.314 203.62 1 23.71 ? 84 M 1
+7380 C CG . TYR D 4 84 ? 191.92 172.284 203.401 1 23.71 ? 84 M 1
+7381 C CD1 . TYR D 4 84 ? 190.827 172.301 204.255 1 23.71 ? 84 M 1
+7382 C CD2 . TYR D 4 84 ? 191.937 173.179 202.34 1 23.71 ? 84 M 1
+7383 C CE1 . TYR D 4 84 ? 189.783 173.182 204.06 1 23.71 ? 84 M 1
+7384 C CE2 . TYR D 4 84 ? 190.896 174.062 202.137 1 23.71 ? 84 M 1
+7385 C CZ . TYR D 4 84 ? 189.823 174.06 203 1 23.71 ? 84 M 1
+7386 O OH . TYR D 4 84 ? 188.784 174.938 202.802 1 23.71 ? 84 M 1
+7387 N N . TYR D 4 85 ? 192.421 170.15 200.793 1 25.81 ? 85 M 1
+7388 C CA . TYR D 4 85 ? 191.647 170.259 199.56 1 25.81 ? 85 M 1
+7389 C C . TYR D 4 85 ? 191.032 168.942 199.111 1 25.81 ? 85 M 1
+7390 O O . TYR D 4 85 ? 190.185 168.958 198.212 1 25.81 ? 85 M 1
+7391 C CB . TYR D 4 85 ? 192.517 170.81 198.428 1 25.81 ? 85 M 1
+7392 C CG . TYR D 4 85 ? 192.574 172.316 198.351 1 25.81 ? 85 M 1
+7393 C CD1 . TYR D 4 85 ? 191.482 173.046 197.909 1 25.81 ? 85 M 1
+7394 C CD2 . TYR D 4 85 ? 193.723 173.006 198.702 1 25.81 ? 85 M 1
+7395 C CE1 . TYR D 4 85 ? 191.529 174.423 197.828 1 25.81 ? 85 M 1
+7396 C CE2 . TYR D 4 85 ? 193.779 174.383 198.626 1 25.81 ? 85 M 1
+7397 C CZ . TYR D 4 85 ? 192.681 175.087 198.188 1 25.81 ? 85 M 1
+7398 O OH . TYR D 4 85 ? 192.735 176.459 198.111 1 25.81 ? 85 M 1
+7399 N N . ASN D 4 86 ? 191.456 167.848 199.732 1 45.83 ? 86 M 1
+7400 C CA . ASN D 4 86 ? 190.945 166.541 199.273 1 45.83 ? 86 M 1
+7401 C C . ASN D 4 86 ? 191.296 166.362 197.805 1 45.83 ? 86 M 1
+7402 O O . ASN D 4 86 ? 190.376 166.367 196.962 1 45.83 ? 86 M 1
+7403 C CB . ASN D 4 86 ? 189.44 166.451 199.409 1 45.83 ? 86 M 1
+7404 C CG . ASN D 4 86 ? 189.017 165.018 199.259 1 45.83 ? 86 M 1
+7405 O OD1 . ASN D 4 86 ? 189.727 164.187 198.697 1 45.83 ? 86 M 1
+7406 N ND2 . ASN D 4 86 ? 187.857 164.733 199.782 1 45.83 ? 86 M 1
+7407 N N . GLN D 4 87 ? 192.578 166.22 197.523 1 37.67 ? 87 M 1
+7408 C CA . GLN D 4 87 ? 193.073 166.032 196.17 1 37.67 ? 87 M 1
+7409 C C . GLN D 4 87 ? 194.02 164.84 196.124 1 37.67 ? 87 M 1
+7410 O O . GLN D 4 87 ? 194.679 164.502 197.111 1 37.67 ? 87 M 1
+7411 C CB . GLN D 4 87 ? 193.772 167.3 195.663 1 37.67 ? 87 M 1
+7412 C CG . GLN D 4 87 ? 192.804 168.38 195.207 1 37.67 ? 87 M 1
+7413 C CD . GLN D 4 87 ? 193.455 169.742 195.088 1 37.67 ? 87 M 1
+7414 O OE1 . GLN D 4 87 ? 194.49 170.003 195.699 1 37.67 ? 87 M 1
+7415 N NE2 . GLN D 4 87 ? 192.852 170.618 194.295 1 37.67 ? 87 M 1
+7416 N N . SER D 4 88 ? 194.074 164.204 194.954 1 47.44 ? 88 M 1
+7417 C CA . SER D 4 88 ? 194.82 162.962 194.775 1 47.44 ? 88 M 1
+7418 C C . SER D 4 88 ? 196.302 163.202 195.028 1 47.44 ? 88 M 1
+7419 O O . SER D 4 88 ? 196.87 164.193 194.559 1 47.44 ? 88 M 1
+7420 C CB . SER D 4 88 ? 194.594 162.412 193.37 1 47.44 ? 88 M 1
+7421 O OG . SER D 4 88 ? 195.06 163.321 192.388 1 47.44 ? 88 M 1
+7422 N N . GLU D 4 89 ? 196.931 162.293 195.772 1 48.65 ? 89 M 1
+7423 C CA . GLU D 4 89 ? 198.363 162.372 196.028 1 48.65 ? 89 M 1
+7424 C C . GLU D 4 89 ? 199.156 162.058 194.766 1 48.65 ? 89 M 1
+7425 O O . GLU D 4 89 ? 200.321 162.449 194.645 1 48.65 ? 89 M 1
+7426 C CB . GLU D 4 89 ? 198.761 161.422 197.159 1 48.65 ? 89 M 1
+7427 C CG . GLU D 4 89 ? 198.325 161.884 198.537 1 48.65 ? 89 M 1
+7428 C CD . GLU D 4 89 ? 198.956 161.07 199.647 1 48.65 ? 89 M 1
+7429 O OE1 . GLU D 4 89 ? 199.574 160.028 199.344 1 48.65 ? 89 M 1
+7430 O OE2 . GLU D 4 89 ? 198.835 161.472 200.824 1 48.65 ? 89 M 1
+7431 N N . ALA D 4 90 ? 198.536 161.342 193.826 1 49.15 ? 90 M 1
+7432 C CA . ALA D 4 90 ? 199.223 160.997 192.586 1 49.15 ? 90 M 1
+7433 C C . ALA D 4 90 ? 199.44 162.225 191.71 1 49.15 ? 90 M 1
+7434 O O . ALA D 4 90 ? 200.4 162.28 190.932 1 49.15 ? 90 M 1
+7435 C CB . ALA D 4 90 ? 198.434 159.93 191.828 1 49.15 ? 90 M 1
+7436 N N . GLY D 4 91 ? 198.553 163.211 191.807 1 41.41 ? 91 M 1
+7437 C CA . GLY D 4 91 ? 198.703 164.403 190.989 1 41.41 ? 91 M 1
+7438 C C . GLY D 4 91 ? 199.771 165.328 191.545 1 41.41 ? 91 M 1
+7439 O O . GLY D 4 91 ? 200.09 165.3 192.736 1 41.41 ? 91 M 1
+7440 N N . SER D 4 92 ? 200.329 166.156 190.666 1 31.88 ? 92 M 1
+7441 C CA . SER D 4 92 ? 201.323 167.141 191.07 1 31.88 ? 92 M 1
+7442 C C . SER D 4 92 ? 200.641 168.461 191.405 1 31.88 ? 92 M 1
+7443 O O . SER D 4 92 ? 199.884 169.001 190.593 1 31.88 ? 92 M 1
+7444 C CB . SER D 4 92 ? 202.353 167.344 189.961 1 31.88 ? 92 M 1
+7445 O OG . SER D 4 92 ? 201.745 167.868 188.794 1 31.88 ? 92 M 1
+7446 N N . HIS D 4 93 ? 200.911 168.981 192.6 1 22.78 ? 93 M 1
+7447 C CA . HIS D 4 93 ? 200.304 170.219 193.068 1 22.78 ? 93 M 1
+7448 C C . HIS D 4 93 ? 201.395 171.203 193.456 1 22.78 ? 93 M 1
+7449 O O . HIS D 4 93 ? 202.408 170.812 194.043 1 22.78 ? 93 M 1
+7450 C CB . HIS D 4 93 ? 199.368 169.967 194.25 1 22.78 ? 93 M 1
+7451 C CG . HIS D 4 93 ? 198.24 169.039 193.932 1 22.78 ? 93 M 1
+7452 N ND1 . HIS D 4 93 ? 197.211 169.382 193.082 1 22.78 ? 93 M 1
+7453 C CD2 . HIS D 4 93 ? 197.968 167.788 194.366 1 22.78 ? 93 M 1
+7454 C CE1 . HIS D 4 93 ? 196.36 168.376 192.996 1 22.78 ? 93 M 1
+7455 N NE2 . HIS D 4 93 ? 196.796 167.395 193.766 1 22.78 ? 93 M 1
+7456 N N . THR D 4 94 ? 201.18 172.473 193.131 1 10 ? 94 M 1
+7457 C CA . THR D 4 94 ? 202.167 173.524 193.32 1 10 ? 94 M 1
+7458 C C . THR D 4 94 ? 201.69 174.489 194.395 1 10 ? 94 M 1
+7459 O O . THR D 4 94 ? 200.501 174.816 194.454 1 10 ? 94 M 1
+7460 C CB . THR D 4 94 ? 202.405 174.278 192.01 1 10 ? 94 M 1
+7461 O OG1 . THR D 4 94 ? 202.656 173.34 190.957 1 10 ? 94 M 1
+7462 C CG2 . THR D 4 94 ? 203.586 175.216 192.136 1 10 ? 94 M 1
+7463 N N . ILE D 4 95 ? 202.611 174.937 195.244 1 7.4 ? 95 M 1
+7464 C CA . ILE D 4 95 ? 202.351 176.02 196.188 1 7.4 ? 95 M 1
+7465 C C . ILE D 4 95 ? 203.427 177.078 195.993 1 7.4 ? 95 M 1
+7466 O O . ILE D 4 95 ? 204.621 176.763 195.946 1 7.4 ? 95 M 1
+7467 C CB . ILE D 4 95 ? 202.306 175.524 197.641 1 7.4 ? 95 M 1
+7468 C CG1 . ILE D 4 95 ? 202.15 176.709 198.597 1 7.4 ? 95 M 1
+7469 C CG2 . ILE D 4 95 ? 203.53 174.701 197.977 1 7.4 ? 95 M 1
+7470 C CD1 . ILE D 4 95 ? 201.755 176.317 199.997 1 7.4 ? 95 M 1
+7471 N N . GLN D 4 96 ? 203.009 178.334 195.875 1 6.36 ? 96 M 1
+7472 C CA . GLN D 4 96 ? 203.903 179.425 195.528 1 6.36 ? 96 M 1
+7473 C C . GLN D 4 96 ? 203.772 180.531 196.56 1 6.36 ? 96 M 1
+7474 O O . GLN D 4 96 ? 202.671 180.81 197.041 1 6.36 ? 96 M 1
+7475 C CB . GLN D 4 96 ? 203.575 179.961 194.137 1 6.36 ? 96 M 1
+7476 C CG . GLN D 4 96 ? 203.694 178.916 193.055 1 6.36 ? 96 M 1
+7477 C CD . GLN D 4 96 ? 203.325 179.45 191.696 1 6.36 ? 96 M 1
+7478 O OE1 . GLN D 4 96 ? 202.581 180.42 191.578 1 6.36 ? 96 M 1
+7479 N NE2 . GLN D 4 96 ? 203.823 178.805 190.657 1 6.36 ? 96 M 1
+7480 N N . ILE D 4 97 ? 204.895 181.146 196.9 1 5.4 ? 97 M 1
+7481 C CA . ILE D 4 97 ? 204.946 182.286 197.804 1 5.4 ? 97 M 1
+7482 C C . ILE D 4 97 ? 205.791 183.348 197.125 1 5.4 ? 97 M 1
+7483 O O . ILE D 4 97 ? 206.674 183.024 196.327 1 5.4 ? 97 M 1
+7484 C CB . ILE D 4 97 ? 205.539 181.897 199.177 1 5.4 ? 97 M 1
+7485 C CG1 . ILE D 4 97 ? 204.7 180.804 199.839 1 5.4 ? 97 M 1
+7486 C CG2 . ILE D 4 97 ? 205.623 183.096 200.107 1 5.4 ? 97 M 1
+7487 C CD1 . ILE D 4 97 ? 205.347 180.205 201.069 1 5.4 ? 97 M 1
+7488 N N . MET D 4 98 ? 205.511 184.614 197.406 1 6.36 ? 98 M 1
+7489 C CA . MET D 4 98 ? 206.372 185.671 196.902 1 6.36 ? 98 M 1
+7490 C C . MET D 4 98 ? 206.238 186.871 197.815 1 6.36 ? 98 M 1
+7491 O O . MET D 4 98 ? 205.159 187.123 198.353 1 6.36 ? 98 M 1
+7492 C CB . MET D 4 98 ? 206.02 186.036 195.455 1 6.36 ? 98 M 1
+7493 C CG . MET D 4 98 ? 204.718 186.784 195.253 1 6.36 ? 98 M 1
+7494 S SD . MET D 4 98 ? 204.876 188.565 195.443 1 6.36 ? 98 M 1
+7495 C CE . MET D 4 98 ? 205.327 189.003 193.77 1 6.36 ? 98 M 1
+7496 N N . TYR D 4 99 ? 207.336 187.587 198.011 1 8.95 ? 99 M 1
+7497 C CA . TYR D 4 99 ? 207.276 188.841 198.748 1 8.95 ? 99 M 1
+7498 C C . TYR D 4 99 ? 208.224 189.842 198.117 1 8.95 ? 99 M 1
+7499 O O . TYR D 4 99 ? 209.299 189.475 197.639 1 8.95 ? 99 M 1
+7500 C CB . TYR D 4 99 ? 207.596 188.657 200.242 1 8.95 ? 99 M 1
+7501 C CG . TYR D 4 99 ? 208.911 187.987 200.571 1 8.95 ? 99 M 1
+7502 C CD1 . TYR D 4 99 ? 210.107 188.69 200.522 1 8.95 ? 99 M 1
+7503 C CD2 . TYR D 4 99 ? 208.951 186.66 200.968 1 8.95 ? 99 M 1
+7504 C CE1 . TYR D 4 99 ? 211.306 188.082 200.836 1 8.95 ? 99 M 1
+7505 C CE2 . TYR D 4 99 ? 210.142 186.046 201.287 1 8.95 ? 99 M 1
+7506 C CZ . TYR D 4 99 ? 211.317 186.759 201.218 1 8.95 ? 99 M 1
+7507 O OH . TYR D 4 99 ? 212.508 186.147 201.533 1 8.95 ? 99 M 1
+7508 N N . GLY D 4 100 ? 207.82 191.104 198.109 1 13.02 ? 100 M 1
+7509 C CA . GLY D 4 100 ? 208.656 192.093 197.46 1 13.02 ? 100 M 1
+7510 C C . GLY D 4 100 ? 208.129 193.492 197.672 1 13.02 ? 100 M 1
+7511 O O . GLY D 4 100 ? 207.037 193.704 198.21 1 13.02 ? 100 M 1
+7512 N N . CYS D 4 101 ? 208.94 194.448 197.23 1 23.26 ? 101 M 1
+7513 C CA . CYS D 4 101 ? 208.607 195.856 197.374 1 23.26 ? 101 M 1
+7514 C C . CYS D 4 101 ? 208.969 196.605 196.101 1 23.26 ? 101 M 1
+7515 O O . CYS D 4 101 ? 209.93 196.254 195.408 1 23.26 ? 101 M 1
+7516 C CB . CYS D 4 101 ? 209.309 196.481 198.589 1 23.26 ? 101 M 1
+7517 S SG . CYS D 4 101 ? 211.112 196.297 198.666 1 23.26 ? 101 M 1
+7518 N N . ASP D 4 102 ? 208.182 197.633 195.805 1 35.74 ? 102 M 1
+7519 C CA . ASP D 4 102 ? 208.366 198.476 194.635 1 35.74 ? 102 M 1
+7520 C C . ASP D 4 102 ? 208.666 199.893 195.1 1 35.74 ? 102 M 1
+7521 O O . ASP D 4 102 ? 207.943 200.436 195.943 1 35.74 ? 102 M 1
+7522 C CB . ASP D 4 102 ? 207.111 198.481 193.761 1 35.74 ? 102 M 1
+7523 C CG . ASP D 4 102 ? 206.774 197.114 193.217 1 35.74 ? 102 M 1
+7524 O OD1 . ASP D 4 102 ? 207.688 196.277 193.106 1 35.74 ? 102 M 1
+7525 O OD2 . ASP D 4 102 ? 205.593 196.881 192.887 1 35.74 ? 102 M 1
+7526 N N . VAL D 4 103 ? 209.713 200.492 194.542 1 50.24 ? 103 M 1
+7527 C CA . VAL D 4 103 ? 210.099 201.861 194.861 1 50.24 ? 103 M 1
+7528 C C . VAL D 4 103 ? 209.876 202.724 193.629 1 50.24 ? 103 M 1
+7529 O O . VAL D 4 103 ? 209.907 202.224 192.498 1 50.24 ? 103 M 1
+7530 C CB . VAL D 4 103 ? 211.56 201.951 195.332 1 50.24 ? 103 M 1
+7531 C CG1 . VAL D 4 103 ? 211.772 201.098 196.572 1 50.24 ? 103 M 1
+7532 C CG2 . VAL D 4 103 ? 212.51 201.556 194.215 1 50.24 ? 103 M 1
+7533 N N . GLY D 4 104 ? 209.642 204.014 193.85 1 69.43 ? 104 M 1
+7534 C CA . GLY D 4 104 ? 209.52 204.957 192.758 1 69.43 ? 104 M 1
+7535 C C . GLY D 4 104 ? 210.87 205.402 192.238 1 69.43 ? 104 M 1
+7536 O O . GLY D 4 104 ? 211.907 204.907 192.688 1 69.43 ? 104 M 1
+7537 N N . SER D 4 105 ? 210.872 206.336 191.285 1 72.8 ? 105 M 1
+7538 C CA . SER D 4 105 ? 212.127 206.842 190.745 1 72.8 ? 105 M 1
+7539 C C . SER D 4 105 ? 212.954 207.578 191.791 1 72.8 ? 105 M 1
+7540 O O . SER D 4 105 ? 214.176 207.683 191.638 1 72.8 ? 105 M 1
+7541 C CB . SER D 4 105 ? 211.852 207.764 189.556 1 72.8 ? 105 M 1
+7542 O OG . SER D 4 105 ? 211.127 208.913 189.959 1 72.8 ? 105 M 1
+7543 N N . ASP D 4 106 ? 212.32 208.087 192.848 1 76.32 ? 106 M 1
+7544 C CA . ASP D 4 106 ? 213.032 208.824 193.884 1 76.32 ? 106 M 1
+7545 C C . ASP D 4 106 ? 213.686 207.92 194.92 1 76.32 ? 106 M 1
+7546 O O . ASP D 4 106 ? 214.406 208.425 195.788 1 76.32 ? 106 M 1
+7547 C CB . ASP D 4 106 ? 212.079 209.796 194.584 1 76.32 ? 106 M 1
+7548 N N . GLY D 4 107 ? 213.459 206.609 194.854 1 69.84 ? 107 M 1
+7549 C CA . GLY D 4 107 ? 214.034 205.683 195.803 1 69.84 ? 107 M 1
+7550 C C . GLY D 4 107 ? 213.215 205.445 197.051 1 69.84 ? 107 M 1
+7551 O O . GLY D 4 107 ? 213.584 204.581 197.858 1 69.84 ? 107 M 1
+7552 N N . ARG D 4 108 ? 212.12 206.175 197.243 1 62.16 ? 108 M 1
+7553 C CA . ARG D 4 108 ? 211.283 205.98 198.414 1 62.16 ? 108 M 1
+7554 C C . ARG D 4 108 ? 210.344 204.792 198.207 1 62.16 ? 108 M 1
+7555 O O . ARG D 4 108 ? 210.148 204.301 197.092 1 62.16 ? 108 M 1
+7556 C CB . ARG D 4 108 ? 210.481 207.245 198.716 1 62.16 ? 108 M 1
+7557 N N . PHE D 4 109 ? 209.761 204.33 199.31 1 50.13 ? 109 M 1
+7558 C CA . PHE D 4 109 ? 208.819 203.222 199.253 1 50.13 ? 109 M 1
+7559 C C . PHE D 4 109 ? 207.565 203.63 198.489 1 50.13 ? 109 M 1
+7560 O O . PHE D 4 109 ? 207.042 204.736 198.654 1 50.13 ? 109 M 1
+7561 C CB . PHE D 4 109 ? 208.461 202.769 200.669 1 50.13 ? 109 M 1
+7562 C CG . PHE D 4 109 ? 207.6 201.539 200.722 1 50.13 ? 109 M 1
+7563 C CD1 . PHE D 4 109 ? 206.225 201.627 200.597 1 50.13 ? 109 M 1
+7564 C CD2 . PHE D 4 109 ? 208.169 200.293 200.913 1 50.13 ? 109 M 1
+7565 C CE1 . PHE D 4 109 ? 205.438 200.498 200.652 1 50.13 ? 109 M 1
+7566 C CE2 . PHE D 4 109 ? 207.387 199.161 200.97 1 50.13 ? 109 M 1
+7567 C CZ . PHE D 4 109 ? 206.021 199.263 200.842 1 50.13 ? 109 M 1
+7568 N N . LEU D 4 110 ? 207.081 202.723 197.642 1 49.53 ? 110 M 1
+7569 C CA . LEU D 4 110 ? 205.9 203.005 196.835 1 49.53 ? 110 M 1
+7570 C C . LEU D 4 110 ? 204.842 201.92 196.996 1 49.53 ? 110 M 1
+7571 O O . LEU D 4 110 ? 203.643 202.215 197.018 1 49.53 ? 110 M 1
+7572 C CB . LEU D 4 110 ? 206.287 203.155 195.362 1 49.53 ? 110 M 1
+7573 C CG . LEU D 4 110 ? 205.23 203.728 194.416 1 49.53 ? 110 M 1
+7574 C CD1 . LEU D 4 110 ? 205.877 204.659 193.405 1 49.53 ? 110 M 1
+7575 C CD2 . LEU D 4 110 ? 204.474 202.616 193.705 1 49.53 ? 110 M 1
+7576 N N . ARG D 4 111 ? 205.271 200.665 197.107 1 39.47 ? 111 M 1
+7577 C CA . ARG D 4 111 ? 204.336 199.553 197.21 1 39.47 ? 111 M 1
+7578 C C . ARG D 4 111 ? 205.028 198.377 197.88 1 39.47 ? 111 M 1
+7579 O O . ARG D 4 111 ? 206.249 198.235 197.818 1 39.47 ? 111 M 1
+7580 C CB . ARG D 4 111 ? 203.804 199.14 195.833 1 39.47 ? 111 M 1
+7581 C CG . ARG D 4 111 ? 202.454 198.454 195.86 1 39.47 ? 111 M 1
+7582 C CD . ARG D 4 111 ? 202.167 197.775 194.531 1 39.47 ? 111 M 1
+7583 N NE . ARG D 4 111 ? 202.493 198.632 193.397 1 39.47 ? 111 M 1
+7584 C CZ . ARG D 4 111 ? 201.615 199.387 192.75 1 39.47 ? 111 M 1
+7585 N NH1 . ARG D 4 111 ? 200.34 199.419 193.1 1 39.47 ? 111 M 1
+7586 N NH2 . ARG D 4 111 ? 202.028 200.127 191.725 1 39.47 ? 111 M 1
+7587 N N . GLY D 4 112 ? 204.232 197.525 198.515 1 22.43 ? 112 M 1
+7588 C CA . GLY D 4 112 ? 204.766 196.323 199.126 1 22.43 ? 112 M 1
+7589 C C . GLY D 4 112 ? 203.748 195.205 199.146 1 22.43 ? 112 M 1
+7590 O O . GLY D 4 112 ? 202.593 195.435 199.513 1 22.43 ? 112 M 1
+7591 N N . TYR D 4 113 ? 204.143 193.995 198.754 1 17.1 ? 113 M 1
+7592 C CA . TYR D 4 113 ? 203.166 192.918 198.69 1 17.1 ? 113 M 1
+7593 C C . TYR D 4 113 ? 203.824 191.572 198.944 1 17.1 ? 113 M 1
+7594 O O . TYR D 4 113 ? 204.923 191.302 198.451 1 17.1 ? 113 M 1
+7595 C CB . TYR D 4 113 ? 202.437 192.913 197.34 1 17.1 ? 113 M 1
+7596 C CG . TYR D 4 113 ? 203.328 193.132 196.14 1 17.1 ? 113 M 1
+7597 C CD1 . TYR D 4 113 ? 203.432 194.384 195.554 1 17.1 ? 113 M 1
+7598 C CD2 . TYR D 4 113 ? 204.067 192.095 195.596 1 17.1 ? 113 M 1
+7599 C CE1 . TYR D 4 113 ? 204.24 194.596 194.458 1 17.1 ? 113 M 1
+7600 C CE2 . TYR D 4 113 ? 204.882 192.3 194.501 1 17.1 ? 113 M 1
+7601 C CZ . TYR D 4 113 ? 204.965 193.551 193.936 1 17.1 ? 113 M 1
+7602 O OH . TYR D 4 113 ? 205.776 193.756 192.845 1 17.1 ? 113 M 1
+7603 N N . ARG D 4 114 ? 203.139 190.741 199.73 1 9.21 ? 114 M 1
+7604 C CA . ARG D 4 114 ? 203.483 189.336 199.919 1 9.21 ? 114 M 1
+7605 C C . ARG D 4 114 ? 202.238 188.507 199.639 1 9.21 ? 114 M 1
+7606 O O . ARG D 4 114 ? 201.196 188.713 200.27 1 9.21 ? 114 M 1
+7607 C CB . ARG D 4 114 ? 204.003 189.065 201.328 1 9.21 ? 114 M 1
+7608 C CG . ARG D 4 114 ? 204.34 187.606 201.556 1 9.21 ? 114 M 1
+7609 C CD . ARG D 4 114 ? 204.29 187.224 203.022 1 9.21 ? 114 M 1
+7610 N NE . ARG D 4 114 ? 204.435 185.784 203.2 1 9.21 ? 114 M 1
+7611 C CZ . ARG D 4 114 ? 205.596 185.144 203.224 1 9.21 ? 114 M 1
+7612 N NH1 . ARG D 4 114 ? 206.742 185.788 203.086 1 9.21 ? 114 M 1
+7613 N NH2 . ARG D 4 114 ? 205.607 183.825 203.389 1 9.21 ? 114 M 1
+7614 N N . GLN D 4 115 ? 202.347 187.567 198.709 1 6.69 ? 115 M 1
+7615 C CA . GLN D 4 115 ? 201.225 186.752 198.276 1 6.69 ? 115 M 1
+7616 C C . GLN D 4 115 ? 201.581 185.272 198.326 1 6.69 ? 115 M 1
+7617 O O . GLN D 4 115 ? 202.736 184.885 198.141 1 6.69 ? 115 M 1
+7618 C CB . GLN D 4 115 ? 200.802 187.129 196.856 1 6.69 ? 115 M 1
+7619 C CG . GLN D 4 115 ? 200.632 188.616 196.632 1 6.69 ? 115 M 1
+7620 C CD . GLN D 4 115 ? 200.704 188.989 195.168 1 6.69 ? 115 M 1
+7621 O OE1 . GLN D 4 115 ? 201.382 188.33 194.382 1 6.69 ? 115 M 1
+7622 N NE2 . GLN D 4 115 ? 200.004 190.052 194.794 1 6.69 ? 115 M 1
+7623 N N . ASP D 4 116 ? 200.57 184.447 198.582 1 7.44 ? 116 M 1
+7624 C CA . ASP D 4 116 ? 200.669 182.997 198.554 1 7.44 ? 116 M 1
+7625 C C . ASP D 4 116 ? 199.56 182.476 197.657 1 7.44 ? 116 M 1
+7626 O O . ASP D 4 116 ? 198.439 182.99 197.693 1 7.44 ? 116 M 1
+7627 C CB . ASP D 4 116 ? 200.521 182.372 199.954 1 7.44 ? 116 M 1
+7628 C CG . ASP D 4 116 ? 201.535 182.893 200.956 1 7.44 ? 116 M 1
+7629 O OD1 . ASP D 4 116 ? 202.395 183.712 200.587 1 7.44 ? 116 M 1
+7630 O OD2 . ASP D 4 116 ? 201.468 182.477 202.131 1 7.44 ? 116 M 1
+7631 N N . ALA D 4 117 ? 199.868 181.449 196.868 1 6.65 ? 117 M 1
+7632 C CA . ALA D 4 117 ? 198.915 180.887 195.924 1 6.65 ? 117 M 1
+7633 C C . ALA D 4 117 ? 199.132 179.39 195.79 1 6.65 ? 117 M 1
+7634 O O . ALA D 4 117 ? 200.23 178.942 195.458 1 6.65 ? 117 M 1
+7635 C CB . ALA D 4 117 ? 199.039 181.542 194.549 1 6.65 ? 117 M 1
+7636 N N . TYR D 4 118 ? 198.079 178.621 196.032 1 8.57 ? 118 M 1
+7637 C CA . TYR D 4 118 ? 198.122 177.175 195.887 1 8.57 ? 118 M 1
+7638 C C . TYR D 4 118 ? 197.556 176.783 194.53 1 8.57 ? 118 M 1
+7639 O O . TYR D 4 118 ? 196.478 177.242 194.142 1 8.57 ? 118 M 1
+7640 C CB . TYR D 4 118 ? 197.335 176.486 197.002 1 8.57 ? 118 M 1
+7641 C CG . TYR D 4 118 ? 197.352 174.979 196.925 1 8.57 ? 118 M 1
+7642 C CD1 . TYR D 4 118 ? 198.411 174.252 197.447 1 8.57 ? 118 M 1
+7643 C CD2 . TYR D 4 118 ? 196.31 174.282 196.334 1 8.57 ? 118 M 1
+7644 C CE1 . TYR D 4 118 ? 198.431 172.874 197.383 1 8.57 ? 118 M 1
+7645 C CE2 . TYR D 4 118 ? 196.322 172.904 196.264 1 8.57 ? 118 M 1
+7646 C CZ . TYR D 4 118 ? 197.385 172.206 196.79 1 8.57 ? 118 M 1
+7647 O OH . TYR D 4 118 ? 197.4 170.833 196.722 1 8.57 ? 118 M 1
+7648 N N . ASP D 4 119 ? 198.303 175.948 193.806 1 6.04 ? 119 M 1
+7649 C CA . ASP D 4 119 ? 197.874 175.407 192.52 1 6.04 ? 119 M 1
+7650 C C . ASP D 4 119 ? 197.625 176.503 191.49 1 6.04 ? 119 M 1
+7651 O O . ASP D 4 119 ? 196.955 176.27 190.48 1 6.04 ? 119 M 1
+7652 C CB . ASP D 4 119 ? 196.617 174.552 192.698 1 6.04 ? 119 M 1
+7653 C CG . ASP D 4 119 ? 196.437 173.541 191.588 1 6.04 ? 119 M 1
+7654 O OD1 . ASP D 4 119 ? 197.299 173.487 190.686 1 6.04 ? 119 M 1
+7655 O OD2 . ASP D 4 119 ? 195.431 172.803 191.615 1 6.04 ? 119 M 1
+7656 N N . GLY D 4 120 ? 198.161 177.699 191.727 1 4.56 ? 120 M 1
+7657 C CA . GLY D 4 120 ? 197.979 178.816 190.83 1 4.56 ? 120 M 1
+7658 C C . GLY D 4 120 ? 196.756 179.664 191.103 1 4.56 ? 120 M 1
+7659 O O . GLY D 4 120 ? 196.599 180.719 190.479 1 4.56 ? 120 M 1
+7660 N N . LYS D 4 121 ? 195.887 179.235 192.009 1 6.34 ? 121 M 1
+7661 C CA . LYS D 4 121 ? 194.754 180.039 192.441 1 6.34 ? 121 M 1
+7662 C C . LYS D 4 121 ? 195.184 180.873 193.638 1 6.34 ? 121 M 1
+7663 O O . LYS D 4 121 ? 195.686 180.33 194.627 1 6.34 ? 121 M 1
+7664 C CB . LYS D 4 121 ? 193.566 179.147 192.801 1 6.34 ? 121 M 1
+7665 C CG . LYS D 4 121 ? 192.313 179.903 193.195 1 6.34 ? 121 M 1
+7666 C CD . LYS D 4 121 ? 191.269 178.962 193.768 1 6.34 ? 121 M 1
+7667 C CE . LYS D 4 121 ? 189.986 179.704 194.096 1 6.34 ? 121 M 1
+7668 N NZ . LYS D 4 121 ? 189.284 180.159 192.865 1 6.34 ? 121 M 1
+7669 N N . ASP D 4 122 ? 195.066 182.198 193.482 1 8.36 ? 122 M 1
+7670 C CA . ASP D 4 122 ? 195.5 183.134 194.552 1 8.36 ? 122 M 1
+7671 C C . ASP D 4 122 ? 194.964 182.621 195.886 1 8.36 ? 122 M 1
+7672 O O . ASP D 4 122 ? 193.73 182.528 196.034 1 8.36 ? 122 M 1
+7673 C CB . ASP D 4 122 ? 195.066 184.57 194.25 1 8.36 ? 122 M 1
+7674 C CG . ASP D 4 122 ? 195.896 185.611 194.98 1 8.36 ? 122 M 1
+7675 O OD1 . ASP D 4 122 ? 196.397 185.297 196.079 1 8.36 ? 122 M 1
+7676 O OD2 . ASP D 4 122 ? 196.05 186.722 194.435 1 8.36 ? 122 M 1
+7677 N N . TYR D 4 123 ? 195.866 182.304 196.812 1 12.29 ? 123 M 1
+7678 C CA . TYR D 4 123 ? 195.443 181.731 198.09 1 12.29 ? 123 M 1
+7679 C C . TYR D 4 123 ? 195.17 182.829 199.114 1 12.29 ? 123 M 1
+7680 O O . TYR D 4 123 ? 194.036 182.999 199.57 1 12.29 ? 123 M 1
+7681 C CB . TYR D 4 123 ? 196.515 180.751 198.58 1 12.29 ? 123 M 1
+7682 C CG . TYR D 4 123 ? 196.283 180.13 199.935 1 12.29 ? 123 M 1
+7683 C CD1 . TYR D 4 123 ? 195.068 179.55 200.258 1 12.29 ? 123 M 1
+7684 C CD2 . TYR D 4 123 ? 197.295 180.103 200.884 1 12.29 ? 123 M 1
+7685 C CE1 . TYR D 4 123 ? 194.865 178.969 201.491 1 12.29 ? 123 M 1
+7686 C CE2 . TYR D 4 123 ? 197.099 179.53 202.119 1 12.29 ? 123 M 1
+7687 C CZ . TYR D 4 123 ? 195.882 178.965 202.419 1 12.29 ? 123 M 1
+7688 O OH . TYR D 4 123 ? 195.684 178.391 203.652 1 12.29 ? 123 M 1
+7689 N N . ILE D 4 124 ? 196.197 183.602 199.466 1 10.82 ? 124 M 1
+7690 C CA . ILE D 4 124 ? 196.067 184.677 200.444 1 10.82 ? 124 M 1
+7691 C C . ILE D 4 124 ? 197.106 185.749 200.149 1 10.82 ? 124 M 1
+7692 O O . ILE D 4 124 ? 198.277 185.456 199.903 1 10.82 ? 124 M 1
+7693 C CB . ILE D 4 124 ? 196.207 184.157 201.895 1 10.82 ? 124 M 1
+7694 C CG1 . ILE D 4 124 ? 195.98 185.287 202.898 1 10.82 ? 124 M 1
+7695 C CG2 . ILE D 4 124 ? 197.555 183.494 202.122 1 10.82 ? 124 M 1
+7696 C CD1 . ILE D 4 124 ? 196.179 184.867 204.333 1 10.82 ? 124 M 1
+7697 N N . ALA D 4 125 ? 196.681 187.007 200.189 1 10.23 ? 125 M 1
+7698 C CA . ALA D 4 125 ? 197.587 188.073 199.787 1 10.23 ? 125 M 1
+7699 C C . ALA D 4 125 ? 197.553 189.19 200.815 1 10.23 ? 125 M 1
+7700 O O . ALA D 4 125 ? 196.586 189.342 201.563 1 10.23 ? 125 M 1
+7701 C CB . ALA D 4 125 ? 197.238 188.612 198.398 1 10.23 ? 125 M 1
+7702 N N . LEU D 4 126 ? 198.637 189.961 200.854 1 14 ? 126 M 1
+7703 C CA . LEU D 4 126 ? 198.696 191.178 201.652 1 14 ? 126 M 1
+7704 C C . LEU D 4 126 ? 198.297 192.34 200.754 1 14 ? 126 M 1
+7705 O O . LEU D 4 126 ? 198.82 192.482 199.644 1 14 ? 126 M 1
+7706 C CB . LEU D 4 126 ? 200.092 191.385 202.23 1 14 ? 126 M 1
+7707 C CG . LEU D 4 126 ? 200.235 192.491 203.276 1 14 ? 126 M 1
+7708 C CD1 . LEU D 4 126 ? 199.371 192.191 204.484 1 14 ? 126 M 1
+7709 C CD2 . LEU D 4 126 ? 201.686 192.671 203.685 1 14 ? 126 M 1
+7710 N N . ASN D 4 127 ? 197.366 193.164 201.226 1 20.23 ? 127 M 1
+7711 C CA . ASN D 4 127 ? 196.918 194.307 200.445 1 20.23 ? 127 M 1
+7712 C C . ASN D 4 127 ? 198.073 195.265 200.19 1 20.23 ? 127 M 1
+7713 O O . ASN D 4 127 ? 199.097 195.238 200.878 1 20.23 ? 127 M 1
+7714 C CB . ASN D 4 127 ? 195.788 195.037 201.169 1 20.23 ? 127 M 1
+7715 C CG . ASN D 4 127 ? 194.466 194.32 201.05 1 20.23 ? 127 M 1
+7716 O OD1 . ASN D 4 127 ? 194.193 193.658 200.049 1 20.23 ? 127 M 1
+7717 N ND2 . ASN D 4 127 ? 193.634 194.441 202.077 1 20.23 ? 127 M 1
+7718 N N . GLU D 4 128 ? 197.902 196.12 199.185 1 22.12 ? 128 M 1
+7719 C CA . GLU D 4 128 ? 198.872 197.175 198.925 1 22.12 ? 128 M 1
+7720 C C . GLU D 4 128 ? 198.73 198.262 199.982 1 22.12 ? 128 M 1
+7721 O O . GLU D 4 128 ? 199.55 199.182 200.053 1 22.12 ? 128 M 1
+7722 C CB . GLU D 4 128 ? 198.688 197.742 197.516 1 22.12 ? 128 M 1
+7723 C CG . GLU D 4 128 ? 198.871 196.708 196.414 1 22.12 ? 128 M 1
+7724 C CD . GLU D 4 128 ? 197.915 196.908 195.255 1 22.12 ? 128 M 1
+7725 O OE1 . GLU D 4 128 ? 198.092 196.238 194.216 1 22.12 ? 128 M 1
+7726 O OE2 . GLU D 4 128 ? 196.987 197.733 195.381 1 22.12 ? 128 M 1
+7727 N N . ASP D 4 129 ? 197.688 198.16 200.804 1 32.39 ? 129 M 1
+7728 C CA . ASP D 4 129 ? 197.521 199.028 201.961 1 32.39 ? 129 M 1
+7729 C C . ASP D 4 129 ? 198.405 198.618 203.131 1 32.39 ? 129 M 1
+7730 O O . ASP D 4 129 ? 198.476 199.357 204.118 1 32.39 ? 129 M 1
+7731 C CB . ASP D 4 129 ? 196.055 199.039 202.4 1 32.39 ? 129 M 1
+7732 C CG . ASP D 4 129 ? 195.152 199.734 201.4 1 32.39 ? 129 M 1
+7733 O OD1 . ASP D 4 129 ? 195.632 200.647 200.698 1 32.39 ? 129 M 1
+7734 O OD2 . ASP D 4 129 ? 193.961 199.367 201.315 1 32.39 ? 129 M 1
+7735 N N . LEU D 4 130 ? 199.056 197.456 203.047 1 32.78 ? 130 M 1
+7736 C CA . LEU D 4 130 ? 200.045 197.014 204.033 1 32.78 ? 130 M 1
+7737 C C . LEU D 4 130 ? 199.436 196.851 205.423 1 32.78 ? 130 M 1
+7738 O O . LEU D 4 130 ? 200.137 196.878 206.436 1 32.78 ? 130 M 1
+7739 C CB . LEU D 4 130 ? 201.237 197.97 204.078 1 32.78 ? 130 M 1
+7740 C CG . LEU D 4 130 ? 202.26 197.844 202.952 1 32.78 ? 130 M 1
+7741 C CD1 . LEU D 4 130 ? 203.551 198.536 203.344 1 32.78 ? 130 M 1
+7742 C CD2 . LEU D 4 130 ? 202.508 196.384 202.631 1 32.78 ? 130 M 1
+7743 N N . ARG D 4 131 ? 198.119 196.673 205.481 1 31.82 ? 131 M 1
+7744 C CA . ARG D 4 131 ? 197.469 196.598 206.782 1 31.82 ? 131 M 1
+7745 C C . ARG D 4 131 ? 196.582 195.368 206.922 1 31.82 ? 131 M 1
+7746 O O . ARG D 4 131 ? 196.517 194.769 208.001 1 31.82 ? 131 M 1
+7747 C CB . ARG D 4 131 ? 196.653 197.867 207.033 1 31.82 ? 131 M 1
+7748 C CG . ARG D 4 131 ? 196.154 198.004 208.46 1 31.82 ? 131 M 1
+7749 C CD . ARG D 4 131 ? 195.975 199.464 208.837 1 31.82 ? 131 M 1
+7750 N NE . ARG D 4 131 ? 197.209 200.221 208.667 1 31.82 ? 131 M 1
+7751 C CZ . ARG D 4 131 ? 197.329 201.519 208.905 1 31.82 ? 131 M 1
+7752 N NH1 . ARG D 4 131 ? 196.305 202.242 209.328 1 31.82 ? 131 M 1
+7753 N NH2 . ARG D 4 131 ? 198.506 202.108 208.713 1 31.82 ? 131 M 1
+7754 N N . SER D 4 132 ? 195.899 194.975 205.85 1 25.82 ? 132 M 1
+7755 C CA . SER D 4 132 ? 194.911 193.911 205.92 1 25.82 ? 132 M 1
+7756 C C . SER D 4 132 ? 195.179 192.864 204.85 1 25.82 ? 132 M 1
+7757 O O . SER D 4 132 ? 195.64 193.17 203.748 1 25.82 ? 132 M 1
+7758 C CB . SER D 4 132 ? 193.486 194.454 205.759 1 25.82 ? 132 M 1
+7759 O OG . SER D 4 132 ? 192.545 193.397 205.707 1 25.82 ? 132 M 1
+7760 N N . TRP D 4 133 ? 194.87 191.618 205.193 1 20.55 ? 133 M 1
+7761 C CA . TRP D 4 133 ? 195.019 190.485 204.294 1 20.55 ? 133 M 1
+7762 C C . TRP D 4 133 ? 193.719 190.235 203.545 1 20.55 ? 133 M 1
+7763 O O . TRP D 4 133 ? 192.633 190.557 204.037 1 20.55 ? 133 M 1
+7764 C CB . TRP D 4 133 ? 195.415 189.219 205.057 1 20.55 ? 133 M 1
+7765 C CG . TRP D 4 133 ? 196.616 189.381 205.922 1 20.55 ? 133 M 1
+7766 C CD1 . TRP D 4 133 ? 196.652 189.874 207.19 1 20.55 ? 133 M 1
+7767 C CD2 . TRP D 4 133 ? 197.963 189.032 205.588 1 20.55 ? 133 M 1
+7768 N NE1 . TRP D 4 133 ? 197.939 189.861 207.667 1 20.55 ? 133 M 1
+7769 C CE2 . TRP D 4 133 ? 198.763 189.348 206.701 1 20.55 ? 133 M 1
+7770 C CE3 . TRP D 4 133 ? 198.57 188.487 204.454 1 20.55 ? 133 M 1
+7771 C CZ2 . TRP D 4 133 ? 200.138 189.137 206.713 1 20.55 ? 133 M 1
+7772 C CZ3 . TRP D 4 133 ? 199.934 188.278 204.469 1 20.55 ? 133 M 1
+7773 C CH2 . TRP D 4 133 ? 200.703 188.602 205.59 1 20.55 ? 133 M 1
+7774 N N . THR D 4 134 ? 193.838 189.667 202.351 1 12.06 ? 134 M 1
+7775 C CA . THR D 4 134 ? 192.701 189.197 201.578 1 12.06 ? 134 M 1
+7776 C C . THR D 4 134 ? 192.811 187.689 201.384 1 12.06 ? 134 M 1
+7777 O O . THR D 4 134 ? 193.878 187.169 201.038 1 12.06 ? 134 M 1
+7778 C CB . THR D 4 134 ? 192.609 189.927 200.232 1 12.06 ? 134 M 1
+7779 O OG1 . THR D 4 134 ? 191.407 189.544 199.555 1 12.06 ? 134 M 1
+7780 C CG2 . THR D 4 134 ? 193.814 189.645 199.352 1 12.06 ? 134 M 1
+7781 N N . ALA D 4 135 ? 191.711 186.988 201.651 1 13.44 ? 135 M 1
+7782 C CA . ALA D 4 135 ? 191.681 185.533 201.633 1 13.44 ? 135 M 1
+7783 C C . ALA D 4 135 ? 190.526 185.053 200.769 1 13.44 ? 135 M 1
+7784 O O . ALA D 4 135 ? 189.378 185.447 200.985 1 13.44 ? 135 M 1
+7785 C CB . ALA D 4 135 ? 191.542 184.968 203.05 1 13.44 ? 135 M 1
+7786 N N . ALA D 4 136 ? 190.831 184.193 199.798 1 15.02 ? 136 M 1
+7787 C CA . ALA D 4 136 ? 189.808 183.7 198.867 1 15.02 ? 136 M 1
+7788 C C . ALA D 4 136 ? 188.98 182.588 199.506 1 15.02 ? 136 M 1
+7789 O O . ALA D 4 136 ? 187.776 182.746 199.725 1 15.02 ? 136 M 1
+7790 C CB . ALA D 4 136 ? 190.463 183.23 197.567 1 15.02 ? 136 M 1
+7791 N N . ASP D 4 137 ? 189.618 181.464 199.822 1 23.2 ? 137 M 1
+7792 C CA . ASP D 4 137 ? 188.936 180.345 200.452 1 23.2 ? 137 M 1
+7793 C C . ASP D 4 137 ? 189.034 180.465 201.972 1 23.2 ? 137 M 1
+7794 O O . ASP D 4 137 ? 189.447 181.493 202.512 1 23.2 ? 137 M 1
+7795 C CB . ASP D 4 137 ? 189.504 179.023 199.937 1 23.2 ? 137 M 1
+7796 C CG . ASP D 4 137 ? 190.978 178.862 200.244 1 23.2 ? 137 M 1
+7797 O OD1 . ASP D 4 137 ? 191.579 179.809 200.791 1 23.2 ? 137 M 1
+7798 O OD2 . ASP D 4 137 ? 191.539 177.793 199.927 1 23.2 ? 137 M 1
+7799 N N . MET D 4 138 ? 188.642 179.405 202.684 1 21.42 ? 138 M 1
+7800 C CA . MET D 4 138 ? 188.596 179.506 204.14 1 21.42 ? 138 M 1
+7801 C C . MET D 4 138 ? 189.86 178.961 204.792 1 21.42 ? 138 M 1
+7802 O O . MET D 4 138 ? 190.177 179.331 205.926 1 21.42 ? 138 M 1
+7803 C CB . MET D 4 138 ? 187.347 178.812 204.682 1 21.42 ? 138 M 1
+7804 C CG . MET D 4 138 ? 187.379 178.526 206.175 1 21.42 ? 138 M 1
+7805 S SD . MET D 4 138 ? 186.006 177.498 206.672 1 21.42 ? 138 M 1
+7806 C CE . MET D 4 138 ? 184.743 178.305 205.708 1 21.42 ? 138 M 1
+7807 N N . ALA D 4 139 ? 190.61 178.104 204.102 1 23.23 ? 139 M 1
+7808 C CA . ALA D 4 139 ? 191.946 177.781 204.591 1 23.23 ? 139 M 1
+7809 C C . ALA D 4 139 ? 192.788 179.047 204.68 1 23.23 ? 139 M 1
+7810 O O . ALA D 4 139 ? 193.501 179.277 205.666 1 23.23 ? 139 M 1
+7811 C CB . ALA D 4 139 ? 192.606 176.747 203.681 1 23.23 ? 139 M 1
+7812 N N . ALA D 4 140 ? 192.683 179.9 203.661 1 21.46 ? 140 M 1
+7813 C CA . ALA D 4 140 ? 193.323 181.205 203.722 1 21.46 ? 140 M 1
+7814 C C . ALA D 4 140 ? 192.735 182.058 204.836 1 21.46 ? 140 M 1
+7815 O O . ALA D 4 140 ? 193.434 182.894 205.408 1 21.46 ? 140 M 1
+7816 C CB . ALA D 4 140 ? 193.197 181.915 202.378 1 21.46 ? 140 M 1
+7817 N N . GLN D 4 141 ? 191.456 181.866 205.163 1 23.14 ? 141 M 1
+7818 C CA . GLN D 4 141 ? 190.856 182.625 206.258 1 23.14 ? 141 M 1
+7819 C C . GLN D 4 141 ? 191.453 182.214 207.601 1 23.14 ? 141 M 1
+7820 O O . GLN D 4 141 ? 191.719 183.058 208.466 1 23.14 ? 141 M 1
+7821 C CB . GLN D 4 141 ? 189.338 182.435 206.254 1 23.14 ? 141 M 1
+7822 C CG . GLN D 4 141 ? 188.629 183.041 205.056 1 23.14 ? 141 M 1
+7823 C CD . GLN D 4 141 ? 187.138 182.771 205.05 1 23.14 ? 141 M 1
+7824 O OE1 . GLN D 4 141 ? 186.667 181.797 205.633 1 23.14 ? 141 M 1
+7825 N NE2 . GLN D 4 141 ? 186.388 183.632 204.376 1 23.14 ? 141 M 1
+7826 N N . ILE D 4 142 ? 191.66 180.91 207.795 1 23.41 ? 142 M 1
+7827 C CA . ILE D 4 142 ? 192.316 180.421 209.006 1 23.41 ? 142 M 1
+7828 C C . ILE D 4 142 ? 193.736 180.958 209.085 1 23.41 ? 142 M 1
+7829 O O . ILE D 4 142 ? 194.202 181.396 210.144 1 23.41 ? 142 M 1
+7830 C CB . ILE D 4 142 ? 192.299 178.883 209.046 1 23.41 ? 142 M 1
+7831 C CG1 . ILE D 4 142 ? 190.87 178.365 208.914 1 23.41 ? 142 M 1
+7832 C CG2 . ILE D 4 142 ? 192.954 178.378 210.318 1 23.41 ? 142 M 1
+7833 C CD1 . ILE D 4 142 ? 189.959 178.869 209.997 1 23.41 ? 142 M 1
+7834 N N . THR D 4 143 ? 194.447 180.926 207.959 1 25.02 ? 143 M 1
+7835 C CA . THR D 4 143 ? 195.808 181.447 207.945 1 25.02 ? 143 M 1
+7836 C C . THR D 4 143 ? 195.818 182.95 208.221 1 25.02 ? 143 M 1
+7837 O O . THR D 4 143 ? 196.723 183.465 208.889 1 25.02 ? 143 M 1
+7838 C CB . THR D 4 143 ? 196.466 181.116 206.606 1 25.02 ? 143 M 1
+7839 O OG1 . THR D 4 143 ? 196.423 179.699 206.4 1 25.02 ? 143 M 1
+7840 C CG2 . THR D 4 143 ? 197.908 181.526 206.613 1 25.02 ? 143 M 1
+7841 N N . LYS D 4 144 ? 194.798 183.662 207.738 1 23 ? 144 M 1
+7842 C CA . LYS D 4 144 ? 194.659 185.093 207.996 1 23 ? 144 M 1
+7843 C C . LYS D 4 144 ? 194.441 185.369 209.477 1 23 ? 144 M 1
+7844 O O . LYS D 4 144 ? 195.041 186.289 210.045 1 23 ? 144 M 1
+7845 C CB . LYS D 4 144 ? 193.496 185.642 207.168 1 23 ? 144 M 1
+7846 C CG . LYS D 4 144 ? 193.116 187.08 207.45 1 23 ? 144 M 1
+7847 C CD . LYS D 4 144 ? 191.885 187.459 206.641 1 23 ? 144 M 1
+7848 C CE . LYS D 4 144 ? 191.438 188.881 206.921 1 23 ? 144 M 1
+7849 N NZ . LYS D 4 144 ? 191.038 189.07 208.34 1 23 ? 144 M 1
+7850 N N . ARG D 4 145 ? 193.566 184.59 210.114 1 24.36 ? 145 M 1
+7851 C CA . ARG D 4 145 ? 193.369 184.727 211.553 1 24.36 ? 145 M 1
+7852 C C . ARG D 4 145 ? 194.665 184.447 212.297 1 24.36 ? 145 M 1
+7853 O O . ARG D 4 145 ? 195.001 185.131 213.271 1 24.36 ? 145 M 1
+7854 C CB . ARG D 4 145 ? 192.264 183.785 212.031 1 24.36 ? 145 M 1
+7855 C CG . ARG D 4 145 ? 190.865 184.166 211.584 1 24.36 ? 145 M 1
+7856 C CD . ARG D 4 145 ? 190.43 185.518 212.126 1 24.36 ? 145 M 1
+7857 N NE . ARG D 4 145 ? 189.165 185.945 211.537 1 24.36 ? 145 M 1
+7858 C CZ . ARG D 4 145 ? 188.574 187.106 211.781 1 24.36 ? 145 M 1
+7859 N NH1 . ARG D 4 145 ? 189.101 187.991 212.61 1 24.36 ? 145 M 1
+7860 N NH2 . ARG D 4 145 ? 187.423 187.387 211.177 1 24.36 ? 145 M 1
+7861 N N . LYS D 4 146 ? 195.412 183.437 211.844 1 29.98 ? 146 M 1
+7862 C CA . LYS D 4 146 ? 196.681 183.109 212.483 1 29.98 ? 146 M 1
+7863 C C . LYS D 4 146 ? 197.677 184.257 212.371 1 29.98 ? 146 M 1
+7864 O O . LYS D 4 146 ? 198.381 184.57 213.339 1 29.98 ? 146 M 1
+7865 C CB . LYS D 4 146 ? 197.259 181.83 211.875 1 29.98 ? 146 M 1
+7866 C CG . LYS D 4 146 ? 198.551 181.364 212.525 1 29.98 ? 146 M 1
+7867 C CD . LYS D 4 146 ? 198.97 180 212.003 1 29.98 ? 146 M 1
+7868 C CE . LYS D 4 146 ? 199.529 180.094 210.595 1 29.98 ? 146 M 1
+7869 N NZ . LYS D 4 146 ? 200.144 178.811 210.158 1 29.98 ? 146 M 1
+7870 N N . TRP D 4 147 ? 197.761 184.895 211.199 1 34.86 ? 147 M 1
+7871 C CA . TRP D 4 147 ? 198.676 186.029 211.078 1 34.86 ? 147 M 1
+7872 C C . TRP D 4 147 ? 198.219 187.207 211.932 1 34.86 ? 147 M 1
+7873 O O . TRP D 4 147 ? 199.032 187.832 212.621 1 34.86 ? 147 M 1
+7874 C CB . TRP D 4 147 ? 198.834 186.496 209.628 1 34.86 ? 147 M 1
+7875 C CG . TRP D 4 147 ? 199.358 185.496 208.651 1 34.86 ? 147 M 1
+7876 C CD1 . TRP D 4 147 ? 198.716 185.024 207.55 1 34.86 ? 147 M 1
+7877 C CD2 . TRP D 4 147 ? 200.612 184.805 208.709 1 34.86 ? 147 M 1
+7878 N NE1 . TRP D 4 147 ? 199.504 184.119 206.892 1 34.86 ? 147 M 1
+7879 C CE2 . TRP D 4 147 ? 200.669 183.954 207.59 1 34.86 ? 147 M 1
+7880 C CE3 . TRP D 4 147 ? 201.696 184.831 209.591 1 34.86 ? 147 M 1
+7881 C CZ2 . TRP D 4 147 ? 201.765 183.135 207.327 1 34.86 ? 147 M 1
+7882 C CZ3 . TRP D 4 147 ? 202.782 184.015 209.33 1 34.86 ? 147 M 1
+7883 C CH2 . TRP D 4 147 ? 202.809 183.181 208.207 1 34.86 ? 147 M 1
+7884 N N . GLU D 4 148 ? 196.923 187.533 211.89 1 35.88 ? 148 M 1
+7885 C CA . GLU D 4 148 ? 196.434 188.69 212.636 1 35.88 ? 148 M 1
+7886 C C . GLU D 4 148 ? 196.583 188.486 214.138 1 35.88 ? 148 M 1
+7887 O O . GLU D 4 148 ? 196.754 189.455 214.888 1 35.88 ? 148 M 1
+7888 C CB . GLU D 4 148 ? 194.977 188.986 212.282 1 35.88 ? 148 M 1
+7889 C CG . GLU D 4 148 ? 194.755 189.461 210.857 1 35.88 ? 148 M 1
+7890 C CD . GLU D 4 148 ? 193.291 189.725 210.556 1 35.88 ? 148 M 1
+7891 O OE1 . GLU D 4 148 ? 192.442 189.417 211.418 1 35.88 ? 148 M 1
+7892 O OE2 . GLU D 4 148 ? 192.988 190.243 209.462 1 35.88 ? 148 M 1
+7893 N N . ALA D 4 149 ? 196.513 187.235 214.599 1 41.36 ? 149 M 1
+7894 C CA . ALA D 4 149 ? 196.686 186.965 216.023 1 41.36 ? 149 M 1
+7895 C C . ALA D 4 149 ? 198.071 187.381 216.499 1 41.36 ? 149 M 1
+7896 O O . ALA D 4 149 ? 198.217 187.951 217.586 1 41.36 ? 149 M 1
+7897 C CB . ALA D 4 149 ? 196.441 185.484 216.311 1 41.36 ? 149 M 1
+7898 N N . ALA D 4 150 ? 199.098 187.11 215.7 1 47.83 ? 150 M 1
+7899 C CA . ALA D 4 150 ? 200.467 187.461 216.047 1 47.83 ? 150 M 1
+7900 C C . ALA D 4 150 ? 200.841 188.88 215.64 1 47.83 ? 150 M 1
+7901 O O . ALA D 4 150 ? 201.955 189.319 215.946 1 47.83 ? 150 M 1
+7902 C CB . ALA D 4 150 ? 201.444 186.47 215.407 1 47.83 ? 150 M 1
+7903 N N . HIS D 4 151 ? 199.942 189.6 214.965 1 51.51 ? 151 M 1
+7904 C CA . HIS D 4 151 ? 200.21 190.959 214.489 1 51.51 ? 151 M 1
+7905 C C . HIS D 4 151 ? 201.465 191.006 213.622 1 51.51 ? 151 M 1
+7906 O O . HIS D 4 151 ? 202.255 191.951 213.684 1 51.51 ? 151 M 1
+7907 C CB . HIS D 4 151 ? 200.321 191.945 215.654 1 51.51 ? 151 M 1
+7908 C CG . HIS D 4 151 ? 199.051 192.115 216.427 1 51.51 ? 151 M 1
+7909 N ND1 . HIS D 4 151 ? 197.983 192.845 215.952 1 51.51 ? 151 M 1
+7910 C CD2 . HIS D 4 151 ? 198.68 191.655 217.645 1 51.51 ? 151 M 1
+7911 C CE1 . HIS D 4 151 ? 197.008 192.825 216.843 1 51.51 ? 151 M 1
+7912 N NE2 . HIS D 4 151 ? 197.405 192.109 217.879 1 51.51 ? 151 M 1
+7913 N N . GLU D 4 152 ? 201.654 189.972 212.799 1 50.75 ? 152 M 1
+7914 C CA . GLU D 4 152 ? 202.832 189.93 211.942 1 50.75 ? 152 M 1
+7915 C C . GLU D 4 152 ? 202.719 190.908 210.778 1 50.75 ? 152 M 1
+7916 O O . GLU D 4 152 ? 203.705 191.128 210.066 1 50.75 ? 152 M 1
+7917 C CB . GLU D 4 152 ? 203.07 188.499 211.446 1 50.75 ? 152 M 1
+7918 C CG . GLU D 4 152 ? 204.365 188.312 210.663 1 50.75 ? 152 M 1
+7919 C CD . GLU D 4 152 ? 204.331 187.125 209.728 1 50.75 ? 152 M 1
+7920 O OE1 . GLU D 4 152 ? 203.874 187.282 208.576 1 50.75 ? 152 M 1
+7921 O OE2 . GLU D 4 152 ? 204.791 186.041 210.14 1 50.75 ? 152 M 1
+7922 N N . ALA D 4 153 ? 201.545 191.511 210.576 1 51.4 ? 153 M 1
+7923 C CA . ALA D 4 153 ? 201.443 192.609 209.622 1 51.4 ? 153 M 1
+7924 C C . ALA D 4 153 ? 202.366 193.756 210.005 1 51.4 ? 153 M 1
+7925 O O . ALA D 4 153 ? 202.901 194.445 209.128 1 51.4 ? 153 M 1
+7926 C CB . ALA D 4 153 ? 199.997 193.097 209.528 1 51.4 ? 153 M 1
+7927 N N . GLU D 4 154 ? 202.569 193.975 211.306 1 61.71 ? 154 M 1
+7928 C CA . GLU D 4 154 ? 203.537 194.954 211.781 1 61.71 ? 154 M 1
+7929 C C . GLU D 4 154 ? 204.975 194.475 211.641 1 61.71 ? 154 M 1
+7930 O O . GLU D 4 154 ? 205.895 195.297 211.708 1 61.71 ? 154 M 1
+7931 C CB . GLU D 4 154 ? 203.254 195.308 213.243 1 61.71 ? 154 M 1
+7932 N N . GLN D 4 155 ? 205.189 193.172 211.457 1 55.89 ? 155 M 1
+7933 C CA . GLN D 4 155 ? 206.523 192.657 211.17 1 55.89 ? 155 M 1
+7934 C C . GLN D 4 155 ? 206.87 192.84 209.697 1 55.89 ? 155 M 1
+7935 O O . GLN D 4 155 ? 207.92 193.398 209.357 1 55.89 ? 155 M 1
+7936 C CB . GLN D 4 155 ? 206.614 191.18 211.562 1 55.89 ? 155 M 1
+7937 C CG . GLN D 4 155 ? 207.993 190.574 211.363 1 55.89 ? 155 M 1
+7938 C CD . GLN D 4 155 ? 208.07 189.136 211.832 1 55.89 ? 155 M 1
+7939 O OE1 . GLN D 4 155 ? 207.112 188.598 212.385 1 55.89 ? 155 M 1
+7940 N NE2 . GLN D 4 155 ? 209.216 188.502 211.609 1 55.89 ? 155 M 1
+7941 N N . LEU D 4 156 ? 205.989 192.377 208.806 1 50.1 ? 156 M 1
+7942 C CA . LEU D 4 156 ? 206.236 192.521 207.376 1 50.1 ? 156 M 1
+7943 C C . LEU D 4 156 ? 206.311 193.987 206.976 1 50.1 ? 156 M 1
+7944 O O . LEU D 4 156 ? 207.149 194.366 206.149 1 50.1 ? 156 M 1
+7945 C CB . LEU D 4 156 ? 205.154 191.797 206.578 1 50.1 ? 156 M 1
+7946 C CG . LEU D 4 156 ? 205.302 190.278 206.516 1 50.1 ? 156 M 1
+7947 C CD1 . LEU D 4 156 ? 204.055 189.64 205.934 1 50.1 ? 156 M 1
+7948 C CD2 . LEU D 4 156 ? 206.53 189.899 205.705 1 50.1 ? 156 M 1
+7949 N N . ARG D 4 157 ? 205.447 194.827 207.55 1 47.89 ? 157 M 1
+7950 C CA . ARG D 4 157 ? 205.545 196.263 207.311 1 47.89 ? 157 M 1
+7951 C C . ARG D 4 157 ? 206.932 196.775 207.673 1 47.89 ? 157 M 1
+7952 O O . ARG D 4 157 ? 207.47 197.671 207.013 1 47.89 ? 157 M 1
+7953 C CB . ARG D 4 157 ? 204.474 197.006 208.107 1 47.89 ? 157 M 1
+7954 C CG . ARG D 4 157 ? 204.41 198.493 207.813 1 47.89 ? 157 M 1
+7955 C CD . ARG D 4 157 ? 203.468 199.203 208.769 1 47.89 ? 157 M 1
+7956 N NE . ARG D 4 157 ? 202.104 198.701 208.67 1 47.89 ? 157 M 1
+7957 C CZ . ARG D 4 157 ? 201.109 199.079 209.461 1 47.89 ? 157 M 1
+7958 N NH1 . ARG D 4 157 ? 201.29 199.97 210.421 1 47.89 ? 157 M 1
+7959 N NH2 . ARG D 4 157 ? 199.902 198.549 209.284 1 47.89 ? 157 M 1
+7960 N N . ALA D 4 158 ? 207.529 196.215 208.727 1 44.71 ? 158 M 1
+7961 C CA . ALA D 4 158 ? 208.904 196.565 209.063 1 44.71 ? 158 M 1
+7962 C C . ALA D 4 158 ? 209.865 196.12 207.97 1 44.71 ? 158 M 1
+7963 O O . ALA D 4 158 ? 210.767 196.87 207.581 1 44.71 ? 158 M 1
+7964 C CB . ALA D 4 158 ? 209.291 195.947 210.405 1 44.71 ? 158 M 1
+7965 N N . TYR D 4 159 ? 209.688 194.9 207.46 1 46.48 ? 159 M 1
+7966 C CA . TYR D 4 159 ? 210.583 194.397 206.423 1 46.48 ? 159 M 1
+7967 C C . TYR D 4 159 ? 210.372 195.133 205.106 1 46.48 ? 159 M 1
+7968 O O . TYR D 4 159 ? 211.336 195.574 204.47 1 46.48 ? 159 M 1
+7969 C CB . TYR D 4 159 ? 210.376 192.893 206.235 1 46.48 ? 159 M 1
+7970 C CG . TYR D 4 159 ? 211.247 192.284 205.16 1 46.48 ? 159 M 1
+7971 C CD1 . TYR D 4 159 ? 212.541 191.872 205.44 1 46.48 ? 159 M 1
+7972 C CD2 . TYR D 4 159 ? 210.776 192.124 203.864 1 46.48 ? 159 M 1
+7973 C CE1 . TYR D 4 159 ? 213.341 191.316 204.461 1 46.48 ? 159 M 1
+7974 C CE2 . TYR D 4 159 ? 211.568 191.572 202.879 1 46.48 ? 159 M 1
+7975 C CZ . TYR D 4 159 ? 212.85 191.169 203.182 1 46.48 ? 159 M 1
+7976 O OH . TYR D 4 159 ? 213.644 190.616 202.204 1 46.48 ? 159 M 1
+7977 N N . LEU D 4 160 ? 209.115 195.269 204.678 1 42.04 ? 160 M 1
+7978 C CA . LEU D 4 160 ? 208.834 195.847 203.368 1 42.04 ? 160 M 1
+7979 C C . LEU D 4 160 ? 209.245 197.313 203.31 1 42.04 ? 160 M 1
+7980 O O . LEU D 4 160 ? 209.815 197.769 202.313 1 42.04 ? 160 M 1
+7981 C CB . LEU D 4 160 ? 207.353 195.68 203.031 1 42.04 ? 160 M 1
+7982 C CG . LEU D 4 160 ? 206.899 194.223 202.923 1 42.04 ? 160 M 1
+7983 C CD1 . LEU D 4 160 ? 205.411 194.134 202.647 1 42.04 ? 160 M 1
+7984 C CD2 . LEU D 4 160 ? 207.692 193.496 201.854 1 42.04 ? 160 M 1
+7985 N N . ASP D 4 161 ? 208.964 198.07 204.372 1 46.21 ? 161 M 1
+7986 C CA . ASP D 4 161 ? 209.426 199.453 204.424 1 46.21 ? 161 M 1
+7987 C C . ASP D 4 161 ? 210.917 199.521 204.725 1 46.21 ? 161 M 1
+7988 O O . ASP D 4 161 ? 211.576 200.523 204.424 1 46.21 ? 161 M 1
+7989 C CB . ASP D 4 161 ? 208.634 200.239 205.47 1 46.21 ? 161 M 1
+7990 C CG . ASP D 4 161 ? 207.216 200.543 205.027 1 46.21 ? 161 M 1
+7991 O OD1 . ASP D 4 161 ? 206.921 200.399 203.823 1 46.21 ? 161 M 1
+7992 O OD2 . ASP D 4 161 ? 206.394 200.928 205.885 1 46.21 ? 161 M 1
+7993 N N . GLY D 4 162 ? 211.466 198.465 205.32 1 44.45 ? 162 M 1
+7994 C CA . GLY D 4 162 ? 212.845 198.465 205.763 1 44.45 ? 162 M 1
+7995 C C . GLY D 4 162 ? 213.797 197.649 204.913 1 44.45 ? 162 M 1
+7996 O O . GLY D 4 162 ? 214.248 198.102 203.857 1 44.45 ? 162 M 1
+7997 N N . THR D 4 163 ? 214.106 196.436 205.381 1 47.06 ? 163 M 1
+7998 C CA . THR D 4 163 ? 215.163 195.613 204.802 1 47.06 ? 163 M 1
+7999 C C . THR D 4 163 ? 214.973 195.384 203.305 1 47.06 ? 163 M 1
+8000 O O . THR D 4 163 ? 215.943 195.372 202.54 1 47.06 ? 163 M 1
+8001 C CB . THR D 4 163 ? 215.229 194.275 205.548 1 47.06 ? 163 M 1
+8002 O OG1 . THR D 4 163 ? 215.474 194.515 206.939 1 47.06 ? 163 M 1
+8003 C CG2 . THR D 4 163 ? 216.346 193.407 204.996 1 47.06 ? 163 M 1
+8004 N N . CYS D 4 164 ? 213.724 195.2 202.87 1 43.74 ? 164 M 1
+8005 C CA . CYS D 4 164 ? 213.446 195.024 201.448 1 43.74 ? 164 M 1
+8006 C C . CYS D 4 164 ? 213.925 196.235 200.657 1 43.74 ? 164 M 1
+8007 O O . CYS D 4 164 ? 214.697 196.116 199.697 1 43.74 ? 164 M 1
+8008 C CB . CYS D 4 164 ? 211.944 194.798 201.241 1 43.74 ? 164 M 1
+8009 S SG . CYS D 4 164 ? 211.4 194.481 199.534 1 43.74 ? 164 M 1
+8010 N N . VAL D 4 165 ? 213.501 197.424 201.086 1 45.16 ? 165 M 1
+8011 C CA . VAL D 4 165 ? 213.843 198.649 200.372 1 45.16 ? 165 M 1
+8012 C C . VAL D 4 165 ? 215.33 198.955 200.507 1 45.16 ? 165 M 1
+8013 O O . VAL D 4 165 ? 215.975 199.407 199.553 1 45.16 ? 165 M 1
+8014 C CB . VAL D 4 165 ? 212.961 199.808 200.875 1 45.16 ? 165 M 1
+8015 C CG1 . VAL D 4 165 ? 213.478 201.137 200.385 1 45.16 ? 165 M 1
+8016 C CG2 . VAL D 4 165 ? 211.538 199.61 200.407 1 45.16 ? 165 M 1
+8017 N N . GLU D 4 166 ? 215.901 198.712 201.689 1 48.81 ? 166 M 1
+8018 C CA . GLU D 4 166 ? 217.328 198.957 201.881 1 48.81 ? 166 M 1
+8019 C C . GLU D 4 166 ? 218.16 198.081 200.953 1 48.81 ? 166 M 1
+8020 O O . GLU D 4 166 ? 219.105 198.553 200.306 1 48.81 ? 166 M 1
+8021 C CB . GLU D 4 166 ? 217.707 198.709 203.342 1 48.81 ? 166 M 1
+8022 N N . TRP D 4 167 ? 217.805 196.798 200.862 1 40.75 ? 167 M 1
+8023 C CA . TRP D 4 167 ? 218.499 195.902 199.947 1 40.75 ? 167 M 1
+8024 C C . TRP D 4 167 ? 218.304 196.349 198.507 1 40.75 ? 167 M 1
+8025 O O . TRP D 4 167 ? 219.214 196.229 197.681 1 40.75 ? 167 M 1
+8026 C CB . TRP D 4 167 ? 218.01 194.466 200.133 1 40.75 ? 167 M 1
+8027 C CG . TRP D 4 167 ? 218.772 193.687 201.161 1 40.75 ? 167 M 1
+8028 C CD1 . TRP D 4 167 ? 218.244 192.971 202.192 1 40.75 ? 167 M 1
+8029 C CD2 . TRP D 4 167 ? 220.197 193.544 201.262 1 40.75 ? 167 M 1
+8030 N NE1 . TRP D 4 167 ? 219.245 192.392 202.93 1 40.75 ? 167 M 1
+8031 C CE2 . TRP D 4 167 ? 220.454 192.727 202.38 1 40.75 ? 167 M 1
+8032 C CE3 . TRP D 4 167 ? 221.279 194.024 200.517 1 40.75 ? 167 M 1
+8033 C CZ2 . TRP D 4 167 ? 221.743 192.383 202.772 1 40.75 ? 167 M 1
+8034 C CZ3 . TRP D 4 167 ? 222.559 193.68 200.909 1 40.75 ? 167 M 1
+8035 C CH2 . TRP D 4 167 ? 222.78 192.867 202.026 1 40.75 ? 167 M 1
+8036 N N . LEU D 4 168 ? 217.112 196.857 198.181 1 35.88 ? 168 M 1
+8037 C CA . LEU D 4 168 ? 216.875 197.311 196.816 1 35.88 ? 168 M 1
+8038 C C . LEU D 4 168 ? 217.76 198.499 196.455 1 35.88 ? 168 M 1
+8039 O O . LEU D 4 168 ? 218.334 198.527 195.36 1 35.88 ? 168 M 1
+8040 C CB . LEU D 4 168 ? 215.399 197.652 196.622 1 35.88 ? 168 M 1
+8041 C CG . LEU D 4 168 ? 215.004 198.201 195.253 1 35.88 ? 168 M 1
+8042 C CD1 . LEU D 4 168 ? 215.545 197.309 194.154 1 35.88 ? 168 M 1
+8043 C CD2 . LEU D 4 168 ? 213.502 198.266 195.161 1 35.88 ? 168 M 1
+8044 N N . ARG D 4 169 ? 217.898 199.482 197.352 1 46.7 ? 169 M 1
+8045 C CA . ARG D 4 169 ? 218.837 200.571 197.078 1 46.7 ? 169 M 1
+8046 C C . ARG D 4 169 ? 220.266 200.059 196.977 1 46.7 ? 169 M 1
+8047 O O . ARG D 4 169 ? 221.031 200.506 196.116 1 46.7 ? 169 M 1
+8048 C CB . ARG D 4 169 ? 218.769 201.691 198.122 1 46.7 ? 169 M 1
+8049 C CG . ARG D 4 169 ? 217.498 202.529 198.159 1 46.7 ? 169 M 1
+8050 C CD . ARG D 4 169 ? 217.453 203.479 199.306 1 46.7 ? 169 M 1
+8051 N NE . ARG D 4 169 ? 217.429 202.747 200.567 1 46.7 ? 169 M 1
+8052 C CZ . ARG D 4 169 ? 217.388 203.315 201.764 1 46.7 ? 169 M 1
+8053 N NH1 . ARG D 4 169 ? 217.366 204.63 201.905 1 46.7 ? 169 M 1
+8054 N NH2 . ARG D 4 169 ? 217.372 202.543 202.848 1 46.7 ? 169 M 1
+8055 N N . ARG D 4 170 ? 220.66 199.139 197.861 1 42.03 ? 170 M 1
+8056 C CA . ARG D 4 170 ? 222.04 198.663 197.821 1 42.03 ? 170 M 1
+8057 C C . ARG D 4 170 ? 222.33 197.946 196.507 1 42.03 ? 170 M 1
+8058 O O . ARG D 4 170 ? 223.405 198.111 195.919 1 42.03 ? 170 M 1
+8059 C CB . ARG D 4 170 ? 222.334 197.757 199.015 1 42.03 ? 170 M 1
+8060 C CG . ARG D 4 170 ? 223.802 197.373 199.109 1 42.03 ? 170 M 1
+8061 C CD . ARG D 4 170 ? 224.147 196.743 200.443 1 42.03 ? 170 M 1
+8062 N NE . ARG D 4 170 ? 225.579 196.493 200.558 1 42.03 ? 170 M 1
+8063 C CZ . ARG D 4 170 ? 226.202 196.198 201.691 1 42.03 ? 170 M 1
+8064 N NH1 . ARG D 4 170 ? 225.546 196.107 202.836 1 42.03 ? 170 M 1
+8065 N NH2 . ARG D 4 170 ? 227.516 195.996 201.675 1 42.03 ? 170 M 1
+8066 N N . TYR D 4 171 ? 221.369 197.157 196.021 1 36.55 ? 171 M 1
+8067 C CA . TYR D 4 171 ? 221.547 196.471 194.746 1 36.55 ? 171 M 1
+8068 C C . TYR D 4 171 ? 221.568 197.456 193.586 1 36.55 ? 171 M 1
+8069 O O . TYR D 4 171 ? 222.42 197.359 192.695 1 36.55 ? 171 M 1
+8070 C CB . TYR D 4 171 ? 220.44 195.438 194.545 1 36.55 ? 171 M 1
+8071 C CG . TYR D 4 171 ? 220.592 194.206 195.4 1 36.55 ? 171 M 1
+8072 C CD1 . TYR D 4 171 ? 221.838 193.64 195.619 1 36.55 ? 171 M 1
+8073 C CD2 . TYR D 4 171 ? 219.489 193.608 195.988 1 36.55 ? 171 M 1
+8074 C CE1 . TYR D 4 171 ? 221.98 192.514 196.401 1 36.55 ? 171 M 1
+8075 C CE2 . TYR D 4 171 ? 219.621 192.483 196.771 1 36.55 ? 171 M 1
+8076 C CZ . TYR D 4 171 ? 220.868 191.939 196.974 1 36.55 ? 171 M 1
+8077 O OH . TYR D 4 171 ? 220.998 190.817 197.756 1 36.55 ? 171 M 1
+8078 N N . LEU D 4 172 ? 220.637 198.412 193.574 1 42.42 ? 172 M 1
+8079 C CA . LEU D 4 172 ? 220.589 199.386 192.493 1 42.42 ? 172 M 1
+8080 C C . LEU D 4 172 ? 221.786 200.323 192.492 1 42.42 ? 172 M 1
+8081 O O . LEU D 4 172 ? 222.082 200.916 191.451 1 42.42 ? 172 M 1
+8082 C CB . LEU D 4 172 ? 219.297 200.196 192.576 1 42.42 ? 172 M 1
+8083 C CG . LEU D 4 172 ? 218.054 199.47 192.062 1 42.42 ? 172 M 1
+8084 C CD1 . LEU D 4 172 ? 216.825 200.354 192.179 1 42.42 ? 172 M 1
+8085 C CD2 . LEU D 4 172 ? 218.256 199.01 190.629 1 42.42 ? 172 M 1
+8086 N N . GLU D 4 173 ? 222.471 200.478 193.622 1 49.76 ? 173 M 1
+8087 C CA . GLU D 4 173 ? 223.693 201.27 193.692 1 49.76 ? 173 M 1
+8088 C C . GLU D 4 173 ? 224.929 200.476 193.3 1 49.76 ? 173 M 1
+8089 O O . GLU D 4 173 ? 225.737 200.955 192.499 1 49.76 ? 173 M 1
+8090 C CB . GLU D 4 173 ? 223.877 201.837 195.103 1 49.76 ? 173 M 1
+8091 N N . ASN D 4 174 ? 225.097 199.271 193.85 1 52.7 ? 174 M 1
+8092 C CA . ASN D 4 174 ? 226.219 198.429 193.448 1 52.7 ? 174 M 1
+8093 C C . ASN D 4 174 ? 226.097 198.012 191.989 1 52.7 ? 174 M 1
+8094 O O . ASN D 4 174 ? 227.097 197.964 191.262 1 52.7 ? 174 M 1
+8095 C CB . ASN D 4 174 ? 226.304 197.2 194.354 1 52.7 ? 174 M 1
+8096 N N . GLY D 4 175 ? 224.882 197.708 191.542 1 50.96 ? 175 M 1
+8097 C CA . GLY D 4 175 ? 224.659 197.272 190.178 1 50.96 ? 175 M 1
+8098 C C . GLY D 4 175 ? 224.067 198.341 189.284 1 50.96 ? 175 M 1
+8099 O O . GLY D 4 175 ? 223.351 198.029 188.328 1 50.96 ? 175 M 1
+8100 N N . LYS D 4 176 ? 224.358 199.61 189.587 1 52.08 ? 176 M 1
+8101 C CA . LYS D 4 176 ? 223.808 200.71 188.799 1 52.08 ? 176 M 1
+8102 C C . LYS D 4 176 ? 224.25 200.637 187.343 1 52.08 ? 176 M 1
+8103 O O . LYS D 4 176 ? 223.594 201.196 186.458 1 52.08 ? 176 M 1
+8104 C CB . LYS D 4 176 ? 224.222 202.049 189.412 1 52.08 ? 176 M 1
+8105 N N . GLU D 4 177 ? 225.363 199.953 187.077 1 48.18 ? 177 M 1
+8106 C CA . GLU D 4 177 ? 225.897 199.876 185.724 1 48.18 ? 177 M 1
+8107 C C . GLU D 4 177 ? 224.991 199.118 184.764 1 48.18 ? 177 M 1
+8108 O O . GLU D 4 177 ? 225.049 199.376 183.557 1 48.18 ? 177 M 1
+8109 C CB . GLU D 4 177 ? 227.28 199.223 185.747 1 48.18 ? 177 M 1
+8110 N N . THR D 4 178 ? 224.161 198.201 185.255 1 44.51 ? 178 M 1
+8111 C CA . THR D 4 178 ? 223.394 197.324 184.38 1 44.51 ? 178 M 1
+8112 C C . THR D 4 178 ? 221.891 197.349 184.614 1 44.51 ? 178 M 1
+8113 O O . THR D 4 178 ? 221.141 197.02 183.693 1 44.51 ? 178 M 1
+8114 C CB . THR D 4 178 ? 223.89 195.875 184.513 1 44.51 ? 178 M 1
+8115 O OG1 . THR D 4 178 ? 223.207 195.043 183.567 1 44.51 ? 178 M 1
+8116 C CG2 . THR D 4 178 ? 223.649 195.35 185.919 1 44.51 ? 178 M 1
+8117 N N . LEU D 4 179 ? 221.425 197.725 185.804 1 34.69 ? 179 M 1
+8118 C CA . LEU D 4 179 ? 219.994 197.703 186.091 1 34.69 ? 179 M 1
+8119 C C . LEU D 4 179 ? 219.35 199.071 185.891 1 34.69 ? 179 M 1
+8120 O O . LEU D 4 179 ? 218.31 199.184 185.235 1 34.69 ? 179 M 1
+8121 C CB . LEU D 4 179 ? 219.753 197.195 187.515 1 34.69 ? 179 M 1
+8122 C CG . LEU D 4 179 ? 220.143 195.733 187.701 1 34.69 ? 179 M 1
+8123 C CD1 . LEU D 4 179 ? 220.012 195.315 189.155 1 34.69 ? 179 M 1
+8124 C CD2 . LEU D 4 179 ? 219.274 194.871 186.804 1 34.69 ? 179 M 1
+8125 N N . GLN D 4 180 ? 219.956 200.117 186.453 1 43.24 ? 180 M 1
+8126 C CA . GLN D 4 180 ? 219.44 201.466 186.261 1 43.24 ? 180 M 1
+8127 C C . GLN D 4 180 ? 219.537 201.916 184.809 1 43.24 ? 180 M 1
+8128 O O . GLN D 4 180 ? 218.875 202.889 184.431 1 43.24 ? 180 M 1
+8129 C CB . GLN D 4 180 ? 220.19 202.438 187.174 1 43.24 ? 180 M 1
+8130 C CG . GLN D 4 180 ? 219.479 203.759 187.401 1 43.24 ? 180 M 1
+8131 C CD . GLN D 4 180 ? 218.153 203.586 188.113 1 43.24 ? 180 M 1
+8132 O OE1 . GLN D 4 180 ? 218.1 203.08 189.233 1 43.24 ? 180 M 1
+8133 N NE2 . GLN D 4 180 ? 217.074 204.004 187.465 1 43.24 ? 180 M 1
+8134 N N . ARG D 4 181 ? 220.336 201.23 183.996 1 41.21 ? 181 M 1
+8135 C CA . ARG D 4 181 ? 220.465 201.556 182.583 1 41.21 ? 181 M 1
+8136 C C . ARG D 4 181 ? 219.131 201.405 181.863 1 41.21 ? 181 M 1
+8137 O O . ARG D 4 181 ? 218.34 200.507 182.164 1 41.21 ? 181 M 1
+8138 C CB . ARG D 4 181 ? 221.517 200.65 181.939 1 41.21 ? 181 M 1
+8139 C CG . ARG D 4 181 ? 221.346 200.419 180.445 1 41.21 ? 181 M 1
+8140 C CD . ARG D 4 181 ? 222.092 199.174 179.994 1 41.21 ? 181 M 1
+8141 N NE . ARG D 4 181 ? 221.652 197.982 180.71 1 41.21 ? 181 M 1
+8142 C CZ . ARG D 4 181 ? 220.809 197.081 180.223 1 41.21 ? 181 M 1
+8143 N NH1 . ARG D 4 181 ? 220.294 197.201 179.011 1 41.21 ? 181 M 1
+8144 N NH2 . ARG D 4 181 ? 220.476 196.033 180.97 1 41.21 ? 181 M 1
+8145 N N . THR D 4 182 ? 218.879 202.302 180.911 1 40.59 ? 182 M 1
+8146 C CA . THR D 4 182 ? 217.745 202.192 180.006 1 40.59 ? 182 M 1
+8147 C C . THR D 4 182 ? 218.263 202.275 178.58 1 40.59 ? 182 M 1
+8148 O O . THR D 4 182 ? 219.298 202.898 178.327 1 40.59 ? 182 M 1
+8149 C CB . THR D 4 182 ? 216.704 203.291 180.252 1 40.59 ? 182 M 1
+8150 O OG1 . THR D 4 182 ? 217.294 204.574 180.013 1 40.59 ? 182 M 1
+8151 C CG2 . THR D 4 182 ? 216.19 203.23 181.682 1 40.59 ? 182 M 1
+8152 N N . ASP D 4 183 ? 217.548 201.642 177.654 1 32.28 ? 183 M 1
+8153 C CA . ASP D 4 183 ? 217.979 201.601 176.268 1 32.28 ? 183 M 1
+8154 C C . ASP D 4 183 ? 216.795 201.874 175.351 1 32.28 ? 183 M 1
+8155 O O . ASP D 4 183 ? 215.77 201.189 175.438 1 32.28 ? 183 M 1
+8156 C CB . ASP D 4 183 ? 218.601 200.235 175.936 1 32.28 ? 183 M 1
+8157 C CG . ASP D 4 183 ? 219.456 200.263 174.679 1 32.28 ? 183 M 1
+8158 O OD1 . ASP D 4 183 ? 220.495 199.571 174.657 1 32.28 ? 183 M 1
+8159 O OD2 . ASP D 4 183 ? 219.091 200.96 173.71 1 32.28 ? 183 M 1
+8160 N N . PRO D 4 184 ? 216.898 202.869 174.476 1 23.67 ? 184 M 1
+8161 C CA . PRO D 4 184 ? 215.811 203.147 173.537 1 23.67 ? 184 M 1
+8162 C C . PRO D 4 184 ? 215.685 202.039 172.509 1 23.67 ? 184 M 1
+8163 O O . PRO D 4 184 ? 216.682 201.394 172.152 1 23.67 ? 184 M 1
+8164 C CB . PRO D 4 184 ? 216.238 204.47 172.885 1 23.67 ? 184 M 1
+8165 C CG . PRO D 4 184 ? 217.719 204.478 173.003 1 23.67 ? 184 M 1
+8166 C CD . PRO D 4 184 ? 218.019 203.812 174.316 1 23.67 ? 184 M 1
+8167 N N . PRO D 4 185 ? 214.48 201.787 172.008 1 13.8 ? 185 M 1
+8168 C CA . PRO D 4 185 ? 214.301 200.735 171.008 1 13.8 ? 185 M 1
+8169 C C . PRO D 4 185 ? 214.744 201.177 169.623 1 13.8 ? 185 M 1
+8170 O O . PRO D 4 185 ? 214.575 202.331 169.223 1 13.8 ? 185 M 1
+8171 C CB . PRO D 4 185 ? 212.792 200.474 171.043 1 13.8 ? 185 M 1
+8172 C CG . PRO D 4 185 ? 212.206 201.768 171.463 1 13.8 ? 185 M 1
+8173 C CD . PRO D 4 185 ? 213.208 202.438 172.364 1 13.8 ? 185 M 1
+8174 N N . LYS D 4 186 ? 215.317 200.225 168.887 1 10.04 ? 186 M 1
+8175 C CA . LYS D 4 186 ? 215.737 200.443 167.503 1 10.04 ? 186 M 1
+8176 C C . LYS D 4 186 ? 214.557 200.09 166.603 1 10.04 ? 186 M 1
+8177 O O . LYS D 4 186 ? 214.545 199.082 165.894 1 10.04 ? 186 M 1
+8178 C CB . LYS D 4 186 ? 216.969 199.609 167.179 1 10.04 ? 186 M 1
+8179 C CG . LYS D 4 186 ? 217.997 199.59 168.295 1 10.04 ? 186 M 1
+8180 C CD . LYS D 4 186 ? 219.137 198.635 167.99 1 10.04 ? 186 M 1
+8181 C CE . LYS D 4 186 ? 220.045 198.467 169.199 1 10.04 ? 186 M 1
+8182 N NZ . LYS D 4 186 ? 221.141 197.491 168.949 1 10.04 ? 186 M 1
+8183 N N . THR D 4 187 ? 213.546 200.954 166.639 1 9.97 ? 187 M 1
+8184 C CA . THR D 4 187 ? 212.261 200.638 166.032 1 9.97 ? 187 M 1
+8185 C C . THR D 4 187 ? 212.366 200.506 164.517 1 9.97 ? 187 M 1
+8186 O O . THR D 4 187 ? 213.153 201.197 163.864 1 9.97 ? 187 M 1
+8187 C CB . THR D 4 187 ? 211.233 201.712 166.394 1 9.97 ? 187 M 1
+8188 O OG1 . THR D 4 187 ? 209.96 201.37 165.832 1 9.97 ? 187 M 1
+8189 C CG2 . THR D 4 187 ? 211.666 203.074 165.875 1 9.97 ? 187 M 1
+8190 N N . HIS D 4 188 ? 211.577 199.585 163.967 1 11.63 ? 188 M 1
+8191 C CA . HIS D 4 188 ? 211.361 199.468 162.533 1 11.63 ? 188 M 1
+8192 C C . HIS D 4 188 ? 209.871 199.607 162.267 1 11.63 ? 188 M 1
+8193 O O . HIS D 4 188 ? 209.072 199.685 163.2 1 11.63 ? 188 M 1
+8194 C CB . HIS D 4 188 ? 211.849 198.121 161.973 1 11.63 ? 188 M 1
+8195 C CG . HIS D 4 188 ? 213.306 197.86 162.189 1 11.63 ? 188 M 1
+8196 N ND1 . HIS D 4 188 ? 214.294 198.62 161.602 1 11.63 ? 188 M 1
+8197 C CD2 . HIS D 4 188 ? 213.943 196.911 162.914 1 11.63 ? 188 M 1
+8198 C CE1 . HIS D 4 188 ? 215.477 198.156 161.964 1 11.63 ? 188 M 1
+8199 N NE2 . HIS D 4 188 ? 215.292 197.119 162.76 1 11.63 ? 188 M 1
+8200 N N . MET D 4 189 ? 209.491 199.618 160.992 1 19.01 ? 189 M 1
+8201 C CA . MET D 4 189 ? 208.083 199.478 160.624 1 19.01 ? 189 M 1
+8202 C C . MET D 4 189 ? 208.006 198.849 159.237 1 19.01 ? 189 M 1
+8203 O O . MET D 4 189 ? 208.753 199.226 158.33 1 19.01 ? 189 M 1
+8204 C CB . MET D 4 189 ? 207.349 200.81 160.684 1 19.01 ? 189 M 1
+8205 C CG . MET D 4 189 ? 205.872 200.68 160.364 1 19.01 ? 189 M 1
+8206 S SD . MET D 4 189 ? 204.985 202.237 160.463 1 19.01 ? 189 M 1
+8207 C CE . MET D 4 189 ? 205.623 203.042 159.013 1 19.01 ? 189 M 1
+8208 N N . THR D 4 190 ? 207.1 197.889 159.085 1 20.17 ? 190 M 1
+8209 C CA . THR D 4 190 ? 207.004 197.062 157.895 1 20.17 ? 190 M 1
+8210 C C . THR D 4 190 ? 205.587 197.058 157.337 1 20.17 ? 190 M 1
+8211 O O . THR D 4 190 ? 204.603 197.212 158.068 1 20.17 ? 190 M 1
+8212 C CB . THR D 4 190 ? 207.429 195.626 158.2 1 20.17 ? 190 M 1
+8213 O OG1 . THR D 4 190 ? 206.686 195.139 159.324 1 20.17 ? 190 M 1
+8214 C CG2 . THR D 4 190 ? 208.914 195.565 158.517 1 20.17 ? 190 M 1
+8215 N N . HIS D 4 191 ? 205.504 196.866 156.024 1 33.5 ? 191 M 1
+8216 C CA . HIS D 4 191 ? 204.25 196.724 155.299 1 33.5 ? 191 M 1
+8217 C C . HIS D 4 191 ? 204.084 195.29 154.824 1 33.5 ? 191 M 1
+8218 O O . HIS D 4 191 ? 205.058 194.656 154.405 1 33.5 ? 191 M 1
+8219 C CB . HIS D 4 191 ? 204.203 197.663 154.095 1 33.5 ? 191 M 1
+8220 C CG . HIS D 4 191 ? 202.954 197.533 153.284 1 33.5 ? 191 M 1
+8221 N ND1 . HIS D 4 191 ? 201.853 198.339 153.483 1 33.5 ? 191 M 1
+8222 C CD2 . HIS D 4 191 ? 202.634 196.708 152.261 1 33.5 ? 191 M 1
+8223 C CE1 . HIS D 4 191 ? 200.905 198.007 152.626 1 33.5 ? 191 M 1
+8224 N NE2 . HIS D 4 191 ? 201.353 197.019 151.873 1 33.5 ? 191 M 1
+8225 N N . HIS D 4 192 ? 202.859 194.783 154.89 1 34.91 ? 192 M 1
+8226 C CA . HIS D 4 192 ? 202.547 193.458 154.356 1 34.91 ? 192 M 1
+8227 C C . HIS D 4 192 ? 201.229 193.5 153.601 1 34.91 ? 192 M 1
+8228 O O . HIS D 4 192 ? 200.169 193.73 154.216 1 34.91 ? 192 M 1
+8229 C CB . HIS D 4 192 ? 202.497 192.426 155.479 1 34.91 ? 192 M 1
+8230 C CG . HIS D 4 192 ? 203.724 192.417 156.332 1 34.91 ? 192 M 1
+8231 N ND1 . HIS D 4 192 ? 204.985 192.208 155.816 1 34.91 ? 192 M 1
+8232 C CD2 . HIS D 4 192 ? 203.888 192.601 157.662 1 34.91 ? 192 M 1
+8233 C CE1 . HIS D 4 192 ? 205.873 192.266 156.791 1 34.91 ? 192 M 1
+8234 N NE2 . HIS D 4 192 ? 205.233 192.498 157.923 1 34.91 ? 192 M 1
+8235 N N . PRO D 4 193 ? 201.239 193.304 152.284 1 51.89 ? 193 M 1
+8236 C CA . PRO D 4 193 ? 199.986 193.317 151.519 1 51.89 ? 193 M 1
+8237 C C . PRO D 4 193 ? 199.199 192.03 151.692 1 51.89 ? 193 M 1
+8238 O O . PRO D 4 193 ? 199.351 191.097 150.897 1 51.89 ? 193 M 1
+8239 C CB . PRO D 4 193 ? 200.456 193.498 150.067 1 51.89 ? 193 M 1
+8240 C CG . PRO D 4 193 ? 201.955 193.711 150.133 1 51.89 ? 193 M 1
+8241 C CD . PRO D 4 193 ? 202.409 193.111 151.417 1 51.89 ? 193 M 1
+8242 N N . ILE D 4 194 ? 198.372 191.961 152.737 1 53.67 ? 194 M 1
+8243 C CA . ILE D 4 194 ? 197.582 190.756 152.984 1 53.67 ? 194 M 1
+8244 C C . ILE D 4 194 ? 196.67 190.465 151.796 1 53.67 ? 194 M 1
+8245 O O . ILE D 4 194 ? 196.486 189.307 151.402 1 53.67 ? 194 M 1
+8246 C CB . ILE D 4 194 ? 196.789 190.89 154.298 1 53.67 ? 194 M 1
+8247 C CG1 . ILE D 4 194 ? 195.926 189.649 154.536 1 53.67 ? 194 M 1
+8248 C CG2 . ILE D 4 194 ? 195.943 192.154 154.307 1 53.67 ? 194 M 1
+8249 C CD1 . ILE D 4 194 ? 195.323 189.583 155.92 1 53.67 ? 194 M 1
+8250 N N . SER D 4 195 ? 196.096 191.505 151.204 1 56.97 ? 195 M 1
+8251 C CA . SER D 4 195 ? 195.238 191.346 150.035 1 56.97 ? 195 M 1
+8252 C C . SER D 4 195 ? 195.322 192.626 149.209 1 56.97 ? 195 M 1
+8253 O O . SER D 4 195 ? 196.153 193.5 149.479 1 56.97 ? 195 M 1
+8254 C CB . SER D 4 195 ? 193.802 191.002 150.468 1 56.97 ? 195 M 1
+8255 N N . ASP D 4 196 ? 194.461 192.74 148.199 1 68.16 ? 196 M 1
+8256 C CA . ASP D 4 196 ? 194.401 193.924 147.355 1 68.16 ? 196 M 1
+8257 C C . ASP D 4 196 ? 193.449 194.983 147.892 1 68.16 ? 196 M 1
+8258 O O . ASP D 4 196 ? 193.436 196.105 147.376 1 68.16 ? 196 M 1
+8259 C CB . ASP D 4 196 ? 193.992 193.537 145.93 1 68.16 ? 196 M 1
+8260 N N . HIS D 4 197 ? 192.657 194.658 148.914 1 63.56 ? 197 M 1
+8261 C CA . HIS D 4 197 ? 191.766 195.622 149.539 1 63.56 ? 197 M 1
+8262 C C . HIS D 4 197 ? 192.167 195.985 150.96 1 63.56 ? 197 M 1
+8263 O O . HIS D 4 197 ? 191.554 196.886 151.541 1 63.56 ? 197 M 1
+8264 C CB . HIS D 4 197 ? 190.322 195.096 149.549 1 63.56 ? 197 M 1
+8265 N N . GLU D 4 198 ? 193.167 195.32 151.534 1 55.07 ? 198 M 1
+8266 C CA . GLU D 4 198 ? 193.62 195.622 152.881 1 55.07 ? 198 M 1
+8267 C C . GLU D 4 198 ? 195.105 195.307 152.981 1 55.07 ? 198 M 1
+8268 O O . GLU D 4 198 ? 195.66 194.565 152.167 1 55.07 ? 198 M 1
+8269 C CB . GLU D 4 198 ? 192.829 194.834 153.932 1 55.07 ? 198 M 1
+8270 N N . ALA D 4 199 ? 195.743 195.89 153.992 1 40.18 ? 199 M 1
+8271 C CA . ALA D 4 199 ? 197.164 195.679 154.231 1 40.18 ? 199 M 1
+8272 C C . ALA D 4 199 ? 197.447 195.747 155.724 1 40.18 ? 199 M 1
+8273 O O . ALA D 4 199 ? 196.621 196.252 156.488 1 40.18 ? 199 M 1
+8274 C CB . ALA D 4 199 ? 198 196.711 153.474 1 40.18 ? 199 M 1
+8275 N N . THR D 4 200 ? 198.589 195.228 156.161 1 28.12 ? 200 M 1
+8276 C CA . THR D 4 200 ? 198.962 195.28 157.567 1 28.12 ? 200 M 1
+8277 C C . THR D 4 200 ? 200.228 196.107 157.739 1 28.12 ? 200 M 1
+8278 O O . THR D 4 200 ? 201.233 195.868 157.058 1 28.12 ? 200 M 1
+8279 C CB . THR D 4 200 ? 199.169 193.876 158.135 1 28.12 ? 200 M 1
+8280 O OG1 . THR D 4 200 ? 200.081 193.152 157.303 1 28.12 ? 200 M 1
+8281 C CG2 . THR D 4 200 ? 197.847 193.131 158.199 1 28.12 ? 200 M 1
+8282 N N . LEU D 4 201 ? 200.174 197.078 158.643 1 25.35 ? 201 M 1
+8283 C CA . LEU D 4 201 ? 201.34 197.865 159.018 1 25.35 ? 201 M 1
+8284 C C . LEU D 4 201 ? 201.769 197.44 160.413 1 25.35 ? 201 M 1
+8285 O O . LEU D 4 201 ? 200.966 197.48 161.351 1 25.35 ? 201 M 1
+8286 C CB . LEU D 4 201 ? 201.04 199.362 158.977 1 25.35 ? 201 M 1
+8287 C CG . LEU D 4 201 ? 201.29 200.082 157.65 1 25.35 ? 201 M 1
+8288 C CD1 . LEU D 4 201 ? 202.776 200.1 157.338 1 25.35 ? 201 M 1
+8289 C CD2 . LEU D 4 201 ? 200.513 199.447 156.512 1 25.35 ? 201 M 1
+8290 N N . ARG D 4 202 ? 203.014 196.971 160.536 1 18.44 ? 202 M 1
+8291 C CA . ARG D 4 202 ? 203.479 196.442 161.846 1 18.44 ? 202 M 1
+8292 C C . ARG D 4 202 ? 204.74 197.186 162.287 1 18.44 ? 202 M 1
+8293 O O . ARG D 4 202 ? 205.795 196.982 161.655 1 18.44 ? 202 M 1
+8294 C CB . ARG D 4 202 ? 203.75 194.938 161.745 1 18.44 ? 202 M 1
+8295 C CG . ARG D 4 202 ? 202.646 194.154 161.051 1 18.44 ? 202 M 1
+8296 C CD . ARG D 4 202 ? 202.899 192.659 161.06 1 18.44 ? 202 M 1
+8297 N NE . ARG D 4 202 ? 201.963 191.944 160.204 1 18.44 ? 202 M 1
+8298 C CZ . ARG D 4 202 ? 200.774 191.5 160.592 1 18.44 ? 202 M 1
+8299 N NH1 . ARG D 4 202 ? 200.365 191.699 161.833 1 18.44 ? 202 M 1
+8300 N NH2 . ARG D 4 202 ? 199.996 190.862 159.737 1 18.44 ? 202 M 1
+8301 N N . CYS D 4 203 ? 204.63 198.014 163.329 1 16.61 ? 203 M 1
+8302 C CA . CYS D 4 203 ? 205.799 198.7 163.851 1 16.61 ? 203 M 1
+8303 C C . CYS D 4 203 ? 206.455 197.874 164.955 1 16.61 ? 203 M 1
+8304 O O . CYS D 4 203 ? 205.805 197.375 165.884 1 16.61 ? 203 M 1
+8305 C CB . CYS D 4 203 ? 205.457 200.115 164.341 1 16.61 ? 203 M 1
+8306 S SG . CYS D 4 203 ? 204.216 200.322 165.641 1 16.61 ? 203 M 1
+8307 N N . TRP D 4 204 ? 207.773 197.719 164.817 1 9.33 ? 204 M 1
+8308 C CA . TRP D 4 204 ? 208.612 196.864 165.654 1 9.33 ? 204 M 1
+8309 C C . TRP D 4 204 ? 209.317 197.736 166.683 1 9.33 ? 204 M 1
+8310 O O . TRP D 4 204 ? 210.173 198.553 166.328 1 9.33 ? 204 M 1
+8311 C CB . TRP D 4 204 ? 209.635 196.105 164.809 1 9.33 ? 204 M 1
+8312 C CG . TRP D 4 204 ? 209.096 194.986 163.988 1 9.33 ? 204 M 1
+8313 C CD1 . TRP D 4 204 ? 208.858 194.996 162.648 1 9.33 ? 204 M 1
+8314 C CD2 . TRP D 4 204 ? 208.759 193.677 164.446 1 9.33 ? 204 M 1
+8315 N NE1 . TRP D 4 204 ? 208.377 193.777 162.244 1 9.33 ? 204 M 1
+8316 C CE2 . TRP D 4 204 ? 208.308 192.949 163.332 1 9.33 ? 204 M 1
+8317 C CE3 . TRP D 4 204 ? 208.785 193.052 165.695 1 9.33 ? 204 M 1
+8318 C CZ2 . TRP D 4 204 ? 207.888 191.629 163.427 1 9.33 ? 204 M 1
+8319 C CZ3 . TRP D 4 204 ? 208.37 191.743 165.787 1 9.33 ? 204 M 1
+8320 C CH2 . TRP D 4 204 ? 207.925 191.044 164.662 1 9.33 ? 204 M 1
+8321 N N . ALA D 4 205 ? 208.961 197.561 167.95 1 8.41 ? 205 M 1
+8322 C CA . ALA D 4 205 ? 209.799 198.054 169.032 1 8.41 ? 205 M 1
+8323 C C . ALA D 4 205 ? 210.815 196.975 169.373 1 8.41 ? 205 M 1
+8324 O O . ALA D 4 205 ? 210.479 195.984 170.027 1 8.41 ? 205 M 1
+8325 C CB . ALA D 4 205 ? 208.951 198.412 170.248 1 8.41 ? 205 M 1
+8326 N N . LEU D 4 206 ? 212.055 197.161 168.927 1 8.11 ? 206 M 1
+8327 C CA . LEU D 4 206 ? 213.045 196.091 168.915 1 8.11 ? 206 M 1
+8328 C C . LEU D 4 206 ? 214.25 196.5 169.745 1 8.11 ? 206 M 1
+8329 O O . LEU D 4 206 ? 214.793 197.593 169.559 1 8.11 ? 206 M 1
+8330 C CB . LEU D 4 206 ? 213.465 195.766 167.48 1 8.11 ? 206 M 1
+8331 C CG . LEU D 4 206 ? 214.221 194.464 167.228 1 8.11 ? 206 M 1
+8332 C CD1 . LEU D 4 206 ? 213.785 193.866 165.905 1 8.11 ? 206 M 1
+8333 C CD2 . LEU D 4 206 ? 215.72 194.7 167.238 1 8.11 ? 206 M 1
+8334 N N . GLY D 4 207 ? 214.665 195.621 170.656 1 14.4 ? 207 M 1
+8335 C CA . GLY D 4 207 ? 215.868 195.827 171.439 1 14.4 ? 207 M 1
+8336 C C . GLY D 4 207 ? 215.814 197.006 172.388 1 14.4 ? 207 M 1
+8337 O O . GLY D 4 207 ? 216.537 197.987 172.197 1 14.4 ? 207 M 1
+8338 N N . PHE D 4 208 ? 214.974 196.926 173.416 1 15.93 ? 208 M 1
+8339 C CA . PHE D 4 208 ? 214.836 197.996 174.394 1 15.93 ? 208 M 1
+8340 C C . PHE D 4 208 ? 214.862 197.41 175.801 1 15.93 ? 208 M 1
+8341 O O . PHE D 4 208 ? 214.873 196.192 175.992 1 15.93 ? 208 M 1
+8342 C CB . PHE D 4 208 ? 213.555 198.802 174.154 1 15.93 ? 208 M 1
+8343 C CG . PHE D 4 208 ? 212.298 198.009 174.33 1 15.93 ? 208 M 1
+8344 C CD1 . PHE D 4 208 ? 211.68 197.929 175.562 1 15.93 ? 208 M 1
+8345 C CD2 . PHE D 4 208 ? 211.727 197.353 173.26 1 15.93 ? 208 M 1
+8346 C CE1 . PHE D 4 208 ? 210.521 197.204 175.724 1 15.93 ? 208 M 1
+8347 C CE2 . PHE D 4 208 ? 210.567 196.628 173.418 1 15.93 ? 208 M 1
+8348 C CZ . PHE D 4 208 ? 209.966 196.551 174.651 1 15.93 ? 208 M 1
+8349 N N . TYR D 4 209 ? 214.873 198.302 176.796 1 21.82 ? 209 M 1
+8350 C CA . TYR D 4 209 ? 214.918 197.949 178.208 1 21.82 ? 209 M 1
+8351 C C . TYR D 4 209 ? 214.575 199.192 179.013 1 21.82 ? 209 M 1
+8352 O O . TYR D 4 209 ? 215.114 200.269 178.724 1 21.82 ? 209 M 1
+8353 C CB . TYR D 4 209 ? 216.297 197.42 178.618 1 21.82 ? 209 M 1
+8354 C CG . TYR D 4 209 ? 216.332 196.741 179.968 1 21.82 ? 209 M 1
+8355 C CD1 . TYR D 4 209 ? 216.428 195.362 180.067 1 21.82 ? 209 M 1
+8356 C CD2 . TYR D 4 209 ? 216.299 197.478 181.143 1 21.82 ? 209 M 1
+8357 C CE1 . TYR D 4 209 ? 216.466 194.734 181.295 1 21.82 ? 209 M 1
+8358 C CE2 . TYR D 4 209 ? 216.335 196.859 182.375 1 21.82 ? 209 M 1
+8359 C CZ . TYR D 4 209 ? 216.42 195.487 182.445 1 21.82 ? 209 M 1
+8360 O OH . TYR D 4 209 ? 216.46 194.863 183.67 1 21.82 ? 209 M 1
+8361 N N . PRO D 4 210 ? 213.693 199.087 180.02 1 20.35 ? 210 M 1
+8362 C CA . PRO D 4 210 ? 212.955 197.884 180.414 1 20.35 ? 210 M 1
+8363 C C . PRO D 4 210 ? 211.727 197.635 179.552 1 20.35 ? 210 M 1
+8364 O O . PRO D 4 210 ? 211.517 198.335 178.566 1 20.35 ? 210 M 1
+8365 C CB . PRO D 4 210 ? 212.551 198.188 181.855 1 20.35 ? 210 M 1
+8366 C CG . PRO D 4 210 ? 212.38 199.658 181.87 1 20.35 ? 210 M 1
+8367 C CD . PRO D 4 210 ? 213.441 200.203 180.948 1 20.35 ? 210 M 1
+8368 N N . ALA D 4 211 ? 210.919 196.649 179.937 1 17.95 ? 211 M 1
+8369 C CA . ALA D 4 211 ? 209.796 196.208 179.119 1 17.95 ? 211 M 1
+8370 C C . ALA D 4 211 ? 208.619 197.171 179.131 1 17.95 ? 211 M 1
+8371 O O . ALA D 4 211 ? 207.704 196.996 178.319 1 17.95 ? 211 M 1
+8372 C CB . ALA D 4 211 ? 209.329 194.826 179.578 1 17.95 ? 211 M 1
+8373 N N . GLU D 4 212 ? 208.602 198.171 180.011 1 28.07 ? 212 M 1
+8374 C CA . GLU D 4 212 ? 207.472 199.096 180.095 1 28.07 ? 212 M 1
+8375 C C . GLU D 4 212 ? 207.544 200.066 178.919 1 28.07 ? 212 M 1
+8376 O O . GLU D 4 212 ? 208.144 201.142 178.981 1 28.07 ? 212 M 1
+8377 C CB . GLU D 4 212 ? 207.464 199.822 181.434 1 28.07 ? 212 M 1
+8378 C CG . GLU D 4 212 ? 206.696 199.085 182.521 1 28.07 ? 212 M 1
+8379 C CD . GLU D 4 212 ? 207.159 199.448 183.918 1 28.07 ? 212 M 1
+8380 O OE1 . GLU D 4 212 ? 206.889 198.668 184.855 1 28.07 ? 212 M 1
+8381 O OE2 . GLU D 4 212 ? 207.792 200.512 184.078 1 28.07 ? 212 M 1
+8382 N N . ILE D 4 213 ? 206.909 199.662 177.823 1 19.55 ? 213 M 1
+8383 C CA . ILE D 4 213 ? 206.826 200.447 176.599 1 19.55 ? 213 M 1
+8384 C C . ILE D 4 213 ? 205.369 200.463 176.17 1 19.55 ? 213 M 1
+8385 O O . ILE D 4 213 ? 204.592 199.579 176.543 1 19.55 ? 213 M 1
+8386 C CB . ILE D 4 213 ? 207.72 199.857 175.486 1 19.55 ? 213 M 1
+8387 C CG1 . ILE D 4 213 ? 207.836 200.813 174.301 1 19.55 ? 213 M 1
+8388 C CG2 . ILE D 4 213 ? 207.161 198.533 175.011 1 19.55 ? 213 M 1
+8389 C CD1 . ILE D 4 213 ? 208.936 200.444 173.335 1 19.55 ? 213 M 1
+8390 N N . THR D 4 214 ? 204.986 201.476 175.395 1 27.78 ? 214 M 1
+8391 C CA . THR D 4 214 ? 203.64 201.509 174.828 1 27.78 ? 214 M 1
+8392 C C . THR D 4 214 ? 203.694 201.96 173.374 1 27.78 ? 214 M 1
+8393 O O . THR D 4 214 ? 204.309 202.983 173.05 1 27.78 ? 214 M 1
+8394 C CB . THR D 4 214 ? 202.698 202.389 175.658 1 27.78 ? 214 M 1
+8395 O OG1 . THR D 4 214 ? 201.384 202.362 175.084 1 27.78 ? 214 M 1
+8396 C CG2 . THR D 4 214 ? 203.189 203.818 175.744 1 27.78 ? 214 M 1
+8397 N N . LEU D 4 215 ? 203.072 201.173 172.5 1 28.5 ? 215 M 1
+8398 C CA . LEU D 4 215 ? 202.935 201.487 171.086 1 28.5 ? 215 M 1
+8399 C C . LEU D 4 215 ? 201.46 201.684 170.783 1 28.5 ? 215 M 1
+8400 O O . LEU D 4 215 ? 200.644 200.803 171.073 1 28.5 ? 215 M 1
+8401 C CB . LEU D 4 215 ? 203.494 200.367 170.206 1 28.5 ? 215 M 1
+8402 C CG . LEU D 4 215 ? 204.758 199.656 170.681 1 28.5 ? 215 M 1
+8403 C CD1 . LEU D 4 215 ? 205.185 198.608 169.674 1 28.5 ? 215 M 1
+8404 C CD2 . LEU D 4 215 ? 205.865 200.648 170.905 1 28.5 ? 215 M 1
+8405 N N . THR D 4 216 ? 201.117 202.828 170.203 1 37.82 ? 216 M 1
+8406 C CA . THR D 4 216 ? 199.736 203.085 169.818 1 37.82 ? 216 M 1
+8407 C C . THR D 4 216 ? 199.684 203.605 168.387 1 37.82 ? 216 M 1
+8408 O O . THR D 4 216 ? 200.607 204.262 167.903 1 37.82 ? 216 M 1
+8409 C CB . THR D 4 216 ? 199.048 204.065 170.78 1 37.82 ? 216 M 1
+8410 O OG1 . THR D 4 216 ? 197.673 204.215 170.408 1 37.82 ? 216 M 1
+8411 C CG2 . THR D 4 216 ? 199.725 205.419 170.752 1 37.82 ? 216 M 1
+8412 N N . TRP D 4 217 ? 198.586 203.296 167.704 1 31.16 ? 217 M 1
+8413 C CA . TRP D 4 217 ? 198.401 203.65 166.3 1 31.16 ? 217 M 1
+8414 C C . TRP D 4 217 ? 197.351 204.745 166.191 1 31.16 ? 217 M 1
+8415 O O . TRP D 4 217 ? 196.149 204.462 166.164 1 31.16 ? 217 M 1
+8416 C CB . TRP D 4 217 ? 197.999 202.43 165.476 1 31.16 ? 217 M 1
+8417 C CG . TRP D 4 217 ? 199.144 201.556 165.115 1 31.16 ? 217 M 1
+8418 C CD1 . TRP D 4 217 ? 199.542 200.422 165.75 1 31.16 ? 217 M 1
+8419 C CD2 . TRP D 4 217 ? 200.038 201.736 164.013 1 31.16 ? 217 M 1
+8420 N NE1 . TRP D 4 217 ? 200.636 199.886 165.118 1 31.16 ? 217 M 1
+8421 C CE2 . TRP D 4 217 ? 200.959 200.676 164.047 1 31.16 ? 217 M 1
+8422 C CE3 . TRP D 4 217 ? 200.151 202.694 163.003 1 31.16 ? 217 M 1
+8423 C CZ2 . TRP D 4 217 ? 201.98 200.546 163.109 1 31.16 ? 217 M 1
+8424 C CZ3 . TRP D 4 217 ? 201.165 202.563 162.075 1 31.16 ? 217 M 1
+8425 C CH2 . TRP D 4 217 ? 202.066 201.498 162.134 1 31.16 ? 217 M 1
+8426 N N . GLN D 4 218 ? 197.805 205.991 166.121 1 44.8 ? 218 M 1
+8427 C CA . GLN D 4 218 ? 196.924 207.13 165.887 1 44.8 ? 218 M 1
+8428 C C . GLN D 4 218 ? 196.492 207.089 164.428 1 44.8 ? 218 M 1
+8429 O O . GLN D 4 218 ? 197.314 207.152 163.51 1 44.8 ? 218 M 1
+8430 C CB . GLN D 4 218 ? 197.629 208.438 166.224 1 44.8 ? 218 M 1
+8431 C CG . GLN D 4 218 ? 198.159 208.516 167.646 1 44.8 ? 218 M 1
+8432 C CD . GLN D 4 218 ? 197.054 208.632 168.675 1 44.8 ? 218 M 1
+8433 O OE1 . GLN D 4 218 ? 195.986 209.177 168.397 1 44.8 ? 218 M 1
+8434 N NE2 . GLN D 4 218 ? 197.305 208.119 169.874 1 44.8 ? 218 M 1
+8435 N N . ARG D 4 219 ? 195.185 206.955 164.214 1 48.63 ? 219 M 1
+8436 C CA . ARG D 4 219 ? 194.619 207.046 162.874 1 48.63 ? 219 M 1
+8437 C C . ARG D 4 219 ? 194.024 208.431 162.668 1 48.63 ? 219 M 1
+8438 O O . ARG D 4 219 ? 193.016 208.778 163.294 1 48.63 ? 219 M 1
+8439 C CB . ARG D 4 219 ? 193.557 205.97 162.669 1 48.63 ? 219 M 1
+8440 N N . ASP D 4 220 ? 194.65 209.222 161.795 1 52.23 ? 220 M 1
+8441 C CA . ASP D 4 220 ? 194.247 210.608 161.554 1 52.23 ? 220 M 1
+8442 C C . ASP D 4 220 ? 194.27 211.425 162.843 1 52.23 ? 220 M 1
+8443 O O . ASP D 4 220 ? 193.458 212.332 163.037 1 52.23 ? 220 M 1
+8444 C CB . ASP D 4 220 ? 192.87 210.681 160.889 1 52.23 ? 220 M 1
+8445 N N . GLY D 4 221 ? 195.205 211.102 163.736 1 50.43 ? 221 M 1
+8446 C CA . GLY D 4 221 ? 195.362 211.804 164.99 1 50.43 ? 221 M 1
+8447 C C . GLY D 4 221 ? 194.556 211.246 166.143 1 50.43 ? 221 M 1
+8448 O O . GLY D 4 221 ? 194.77 211.669 167.286 1 50.43 ? 221 M 1
+8449 N N . GLU D 4 222 ? 193.647 210.311 165.885 1 47.07 ? 222 M 1
+8450 C CA . GLU D 4 222 ? 192.793 209.732 166.913 1 47.07 ? 222 M 1
+8451 C C . GLU D 4 222 ? 193.259 208.317 167.221 1 47.07 ? 222 M 1
+8452 O O . GLU D 4 222 ? 193.475 207.517 166.304 1 47.07 ? 222 M 1
+8453 C CB . GLU D 4 222 ? 191.329 209.723 166.468 1 47.07 ? 222 M 1
+8454 N N . ASP D 4 223 ? 193.415 208.014 168.507 1 44.47 ? 223 M 1
+8455 C CA . ASP D 4 223 ? 193.882 206.696 168.915 1 44.47 ? 223 M 1
+8456 C C . ASP D 4 223 ? 192.813 205.648 168.644 1 44.47 ? 223 M 1
+8457 O O . ASP D 4 223 ? 191.719 205.699 169.216 1 44.47 ? 223 M 1
+8458 C CB . ASP D 4 223 ? 194.257 206.709 170.396 1 44.47 ? 223 M 1
+8459 N N . GLN D 4 224 ? 193.13 204.698 167.765 1 37.93 ? 224 M 1
+8460 C CA . GLN D 4 224 ? 192.219 203.602 167.436 1 37.93 ? 224 M 1
+8461 C C . GLN D 4 224 ? 192.622 202.363 168.236 1 37.93 ? 224 M 1
+8462 O O . GLN D 4 224 ? 193.129 201.364 167.72 1 37.93 ? 224 M 1
+8463 C CB . GLN D 4 224 ? 192.188 203.378 165.927 1 37.93 ? 224 M 1
+8464 C CG . GLN D 4 224 ? 193.488 202.921 165.293 1 37.93 ? 224 M 1
+8465 C CD . GLN D 4 224 ? 193.376 202.786 163.794 1 37.93 ? 224 M 1
+8466 O OE1 . GLN D 4 224 ? 194.353 202.477 163.112 1 37.93 ? 224 M 1
+8467 N NE2 . GLN D 4 224 ? 192.176 202.984 163.273 1 37.93 ? 224 M 1
+8468 N N . THR D 4 225 ? 192.368 202.441 169.542 1 37.23 ? 225 M 1
+8469 C CA . THR D 4 225 ? 192.668 201.354 170.463 1 37.23 ? 225 M 1
+8470 C C . THR D 4 225 ? 191.876 200.086 170.157 1 37.23 ? 225 M 1
+8471 O O . THR D 4 225 ? 192.332 198.986 170.489 1 37.23 ? 225 M 1
+8472 C CB . THR D 4 225 ? 192.393 201.826 171.898 1 37.23 ? 225 M 1
+8473 O OG1 . THR D 4 225 ? 193.211 202.966 172.187 1 37.23 ? 225 M 1
+8474 C CG2 . THR D 4 225 ? 192.698 200.742 172.914 1 37.23 ? 225 M 1
+8475 N N . GLN D 4 226 ? 190.717 200.21 169.506 1 36.09 ? 226 M 1
+8476 C CA . GLN D 4 226 ? 189.861 199.047 169.289 1 36.09 ? 226 M 1
+8477 C C . GLN D 4 226 ? 190.475 198.046 168.316 1 36.09 ? 226 M 1
+8478 O O . GLN D 4 226 ? 190.46 196.84 168.585 1 36.09 ? 226 M 1
+8479 C CB . GLN D 4 226 ? 188.489 199.496 168.785 1 36.09 ? 226 M 1
+8480 N N . ASP D 4 227 ? 191.016 198.514 167.191 1 30.56 ? 227 M 1
+8481 C CA . ASP D 4 227 ? 191.454 197.622 166.123 1 30.56 ? 227 M 1
+8482 C C . ASP D 4 227 ? 192.965 197.428 166.074 1 30.56 ? 227 M 1
+8483 O O . ASP D 4 227 ? 193.463 196.78 165.146 1 30.56 ? 227 M 1
+8484 C CB . ASP D 4 227 ? 190.954 198.135 164.77 1 30.56 ? 227 M 1
+8485 C CG . ASP D 4 227 ? 189.448 198.062 164.644 1 30.56 ? 227 M 1
+8486 O OD1 . ASP D 4 227 ? 188.831 197.253 165.368 1 30.56 ? 227 M 1
+8487 O OD2 . ASP D 4 227 ? 188.882 198.811 163.821 1 30.56 ? 227 M 1
+8488 N N . THR D 4 228 ? 193.708 197.966 167.035 1 23.23 ? 228 M 1
+8489 C CA . THR D 4 228 ? 195.145 197.734 167.07 1 23.23 ? 228 M 1
+8490 C C . THR D 4 228 ? 195.442 196.348 167.629 1 23.23 ? 228 M 1
+8491 O O . THR D 4 228 ? 194.761 195.867 168.538 1 23.23 ? 228 M 1
+8492 C CB . THR D 4 228 ? 195.844 198.807 167.906 1 23.23 ? 228 M 1
+8493 O OG1 . THR D 4 228 ? 197.251 198.544 167.946 1 23.23 ? 228 M 1
+8494 C CG2 . THR D 4 228 ? 195.301 198.832 169.322 1 23.23 ? 228 M 1
+8495 N N . GLU D 4 229 ? 196.457 195.703 167.046 1 18.24 ? 229 M 1
+8496 C CA . GLU D 4 229 ? 196.884 194.365 167.527 1 18.24 ? 229 M 1
+8497 C C . GLU D 4 229 ? 198.329 194.479 168.013 1 18.24 ? 229 M 1
+8498 O O . GLU D 4 229 ? 199.095 195.248 167.4 1 18.24 ? 229 M 1
+8499 C CB . GLU D 4 229 ? 196.754 193.325 166.414 1 18.24 ? 229 M 1
+8500 C CG . GLU D 4 229 ? 195.315 193.012 166.051 1 18.24 ? 229 M 1
+8501 C CD . GLU D 4 229 ? 195.149 192.028 164.906 1 18.24 ? 229 M 1
+8502 O OE1 . GLU D 4 229 ? 196.131 191.811 164.169 1 18.24 ? 229 M 1
+8503 O OE2 . GLU D 4 229 ? 194.04 191.478 164.758 1 18.24 ? 229 M 1
+8504 N N . LEU D 4 230 ? 198.683 193.746 169.068 1 8.94 ? 230 M 1
+8505 C CA . LEU D 4 230 ? 200.018 193.832 169.64 1 8.94 ? 230 M 1
+8506 C C . LEU D 4 230 ? 200.326 192.539 170.371 1 8.94 ? 230 M 1
+8507 O O . LEU D 4 230 ? 199.428 191.868 170.884 1 8.94 ? 230 M 1
+8508 C CB . LEU D 4 230 ? 200.147 195.045 170.57 1 8.94 ? 230 M 1
+8509 C CG . LEU D 4 230 ? 199.248 195.157 171.806 1 8.94 ? 230 M 1
+8510 C CD1 . LEU D 4 230 ? 199.792 194.396 173.009 1 8.94 ? 230 M 1
+8511 C CD2 . LEU D 4 230 ? 199.029 196.621 172.154 1 8.94 ? 230 M 1
+8512 N N . VAL D 4 231 ? 201.61 192.199 170.417 1 4.61 ? 231 M 1
+8513 C CA . VAL D 4 231 ? 202.05 191.03 171.167 1 4.61 ? 231 M 1
+8514 C C . VAL D 4 231 ? 202.648 191.515 172.479 1 4.61 ? 231 M 1
+8515 O O . VAL D 4 231 ? 203.196 192.619 172.562 1 4.61 ? 231 M 1
+8516 C CB . VAL D 4 231 ? 203.07 190.173 170.39 1 4.61 ? 231 M 1
+8517 C CG1 . VAL D 4 231 ? 204.357 190.942 170.173 1 4.61 ? 231 M 1
+8518 C CG2 . VAL D 4 231 ? 203.323 188.848 171.091 1 4.61 ? 231 M 1
+8519 N N . GLU D 4 232 ? 202.524 190.691 173.515 1 4.8 ? 232 M 1
+8520 C CA . GLU D 4 232 ? 203.142 191.007 174.794 1 4.8 ? 232 M 1
+8521 C C . GLU D 4 232 ? 204.652 191.114 174.628 1 4.8 ? 232 M 1
+8522 O O . GLU D 4 232 ? 205.236 190.497 173.735 1 4.8 ? 232 M 1
+8523 C CB . GLU D 4 232 ? 202.801 189.937 175.828 1 4.8 ? 232 M 1
+8524 C CG . GLU D 4 232 ? 201.337 189.893 176.216 1 4.8 ? 232 M 1
+8525 C CD . GLU D 4 232 ? 201.029 188.773 177.188 1 4.8 ? 232 M 1
+8526 O OE1 . GLU D 4 232 ? 201.91 187.917 177.412 1 4.8 ? 232 M 1
+8527 O OE2 . GLU D 4 232 ? 199.903 188.749 177.726 1 4.8 ? 232 M 1
+8528 N N . THR D 4 233 ? 205.282 191.922 175.476 1 5.52 ? 233 M 1
+8529 C CA . THR D 4 233 ? 206.724 192.119 175.405 1 5.52 ? 233 M 1
+8530 C C . THR D 4 233 ? 207.455 190.795 175.58 1 5.52 ? 233 M 1
+8531 O O . THR D 4 233 ? 207.225 190.067 176.547 1 5.52 ? 233 M 1
+8532 C CB . THR D 4 233 ? 207.171 193.113 176.477 1 5.52 ? 233 M 1
+8533 O OG1 . THR D 4 233 ? 206.838 192.601 177.773 1 5.52 ? 233 M 1
+8534 C CG2 . THR D 4 233 ? 206.482 194.45 176.279 1 5.52 ? 233 M 1
+8535 N N . ARG D 4 234 ? 208.337 190.489 174.636 1 7.46 ? 234 M 1
+8536 C CA . ARG D 4 234 ? 209.018 189.208 174.606 1 7.46 ? 234 M 1
+8537 C C . ARG D 4 234 ? 210.511 189.396 174.798 1 7.46 ? 234 M 1
+8538 O O . ARG D 4 234 ? 211.121 190.2 174.082 1 7.46 ? 234 M 1
+8539 C CB . ARG D 4 234 ? 208.75 188.496 173.277 1 7.46 ? 234 M 1
+8540 C CG . ARG D 4 234 ? 207.276 188.338 172.961 1 7.46 ? 234 M 1
+8541 C CD . ARG D 4 234 ? 207.025 187.926 171.521 1 7.46 ? 234 M 1
+8542 N NE . ARG D 4 234 ? 207.669 188.817 170.565 1 7.46 ? 234 M 1
+8543 C CZ . ARG D 4 234 ? 207.401 188.835 169.267 1 7.46 ? 234 M 1
+8544 N NH1 . ARG D 4 234 ? 206.487 188.037 168.741 1 7.46 ? 234 M 1
+8545 N NH2 . ARG D 4 234 ? 208.065 189.674 168.479 1 7.46 ? 234 M 1
+8546 N N . PRO D 4 235 ? 211.129 188.696 175.747 1 3.57 ? 235 M 1
+8547 C CA . PRO D 4 235 ? 212.584 188.8 175.909 1 3.57 ? 235 M 1
+8548 C C . PRO D 4 235 ? 213.307 188.35 174.651 1 3.57 ? 235 M 1
+8549 O O . PRO D 4 235 ? 212.893 187.404 173.982 1 3.57 ? 235 M 1
+8550 C CB . PRO D 4 235 ? 212.875 187.871 177.092 1 3.57 ? 235 M 1
+8551 C CG . PRO D 4 235 ? 211.584 187.776 177.829 1 3.57 ? 235 M 1
+8552 C CD . PRO D 4 235 ? 210.513 187.859 176.787 1 3.57 ? 235 M 1
+8553 N N . ALA D 4 236 ? 214.402 189.039 174.332 1 14.97 ? 236 M 1
+8554 C CA . ALA D 4 236 ? 215.129 188.752 173.104 1 14.97 ? 236 M 1
+8555 C C . ALA D 4 236 ? 216.156 187.644 173.267 1 14.97 ? 236 M 1
+8556 O O . ALA D 4 236 ? 216.495 186.988 172.277 1 14.97 ? 236 M 1
+8557 C CB . ALA D 4 236 ? 215.816 190.018 172.596 1 14.97 ? 236 M 1
+8558 N N . GLY D 4 237 ? 216.653 187.417 174.478 1 23.5 ? 237 M 1
+8559 C CA . GLY D 4 237 ? 217.661 186.417 174.736 1 23.5 ? 237 M 1
+8560 C C . GLY D 4 237 ? 218.952 186.96 175.31 1 23.5 ? 237 M 1
+8561 O O . GLY D 4 237 ? 219.606 186.262 176.093 1 23.5 ? 237 M 1
+8562 N N . ASP D 4 238 ? 219.333 188.185 174.948 1 24.06 ? 238 M 1
+8563 C CA . ASP D 4 238 ? 220.544 188.815 175.453 1 24.06 ? 238 M 1
+8564 C C . ASP D 4 238 ? 220.251 189.944 176.435 1 24.06 ? 238 M 1
+8565 O O . ASP D 4 238 ? 220.979 190.942 176.458 1 24.06 ? 238 M 1
+8566 C CB . ASP D 4 238 ? 221.401 189.321 174.291 1 24.06 ? 238 M 1
+8567 C CG . ASP D 4 238 ? 220.701 190.379 173.459 1 24.06 ? 238 M 1
+8568 O OD1 . ASP D 4 238 ? 219.525 190.689 173.738 1 24.06 ? 238 M 1
+8569 O OD2 . ASP D 4 238 ? 221.332 190.905 172.519 1 24.06 ? 238 M 1
+8570 N N . GLY D 4 239 ? 219.202 189.81 177.237 1 18.82 ? 239 M 1
+8571 C CA . GLY D 4 239 ? 218.869 190.776 178.27 1 18.82 ? 239 M 1
+8572 C C . GLY D 4 239 ? 217.795 191.781 177.916 1 18.82 ? 239 M 1
+8573 O O . GLY D 4 239 ? 216.959 192.116 178.756 1 18.82 ? 239 M 1
+8574 N N . THR D 4 240 ? 217.797 192.267 176.68 1 13.34 ? 240 M 1
+8575 C CA . THR D 4 240 ? 216.844 193.287 176.281 1 13.34 ? 240 M 1
+8576 C C . THR D 4 240 ? 215.466 192.676 176.042 1 13.34 ? 240 M 1
+8577 O O . THR D 4 240 ? 215.23 191.488 176.269 1 13.34 ? 240 M 1
+8578 C CB . THR D 4 240 ? 217.329 194.008 175.025 1 13.34 ? 240 M 1
+8579 O OG1 . THR D 4 240 ? 217.498 193.062 173.963 1 13.34 ? 240 M 1
+8580 C CG2 . THR D 4 240 ? 218.653 194.7 175.288 1 13.34 ? 240 M 1
+8581 N N . PHE D 4 241 ? 214.544 193.515 175.584 1 13.52 ? 241 M 1
+8582 C CA . PHE D 4 241 ? 213.191 193.112 175.239 1 13.52 ? 241 M 1
+8583 C C . PHE D 4 241 ? 212.849 193.594 173.836 1 13.52 ? 241 M 1
+8584 O O . PHE D 4 241 ? 213.548 194.426 173.253 1 13.52 ? 241 M 1
+8585 C CB . PHE D 4 241 ? 212.168 193.674 176.233 1 13.52 ? 241 M 1
+8586 C CG . PHE D 4 241 ? 212.249 193.073 177.602 1 13.52 ? 241 M 1
+8587 C CD1 . PHE D 4 241 ? 213.312 193.35 178.437 1 13.52 ? 241 M 1
+8588 C CD2 . PHE D 4 241 ? 211.245 192.244 178.06 1 13.52 ? 241 M 1
+8589 C CE1 . PHE D 4 241 ? 213.379 192.801 179.697 1 13.52 ? 241 M 1
+8590 C CE2 . PHE D 4 241 ? 211.305 191.694 179.32 1 13.52 ? 241 M 1
+8591 C CZ . PHE D 4 241 ? 212.374 191.972 180.14 1 13.52 ? 241 M 1
+8592 N N . GLN D 4 242 ? 211.756 193.062 173.297 1 5.39 ? 242 M 1
+8593 C CA . GLN D 4 242 ? 211.254 193.5 172.006 1 5.39 ? 242 M 1
+8594 C C . GLN D 4 242 ? 209.75 193.279 171.954 1 5.39 ? 242 M 1
+8595 O O . GLN D 4 242 ? 209.232 192.303 172.5 1 5.39 ? 242 M 1
+8596 C CB . GLN D 4 242 ? 211.959 192.774 170.852 1 5.39 ? 242 M 1
+8597 C CG . GLN D 4 242 ? 211.514 191.348 170.62 1 5.39 ? 242 M 1
+8598 C CD . GLN D 4 242 ? 212.16 190.736 169.395 1 5.39 ? 242 M 1
+8599 O OE1 . GLN D 4 242 ? 213.274 191.099 169.021 1 5.39 ? 242 M 1
+8600 N NE2 . GLN D 4 242 ? 211.459 189.809 168.757 1 5.39 ? 242 M 1
+8601 N N . LYS D 4 243 ? 209.052 194.209 171.305 1 8.33 ? 243 M 1
+8602 C CA . LYS D 4 243 ? 207.6 194.177 171.188 1 8.33 ? 243 M 1
+8603 C C . LYS D 4 243 ? 207.217 194.363 169.727 1 8.33 ? 243 M 1
+8604 O O . LYS D 4 243 ? 208.073 194.527 168.854 1 8.33 ? 243 M 1
+8605 C CB . LYS D 4 243 ? 206.943 195.248 172.067 1 8.33 ? 243 M 1
+8606 C CG . LYS D 4 243 ? 205.617 194.819 172.669 1 8.33 ? 243 M 1
+8607 C CD . LYS D 4 243 ? 204.685 195.999 172.865 1 8.33 ? 243 M 1
+8608 C CE . LYS D 4 243 ? 203.494 195.617 173.725 1 8.33 ? 243 M 1
+8609 N NZ . LYS D 4 243 ? 202.641 196.788 174.055 1 8.33 ? 243 M 1
+8610 N N . TRP D 4 244 ? 205.91 194.348 169.459 1 8.6 ? 244 M 1
+8611 C CA . TRP D 4 244 ? 205.431 194.305 168.08 1 8.6 ? 244 M 1
+8612 C C . TRP D 4 244 ? 203.973 194.765 168.074 1 8.6 ? 244 M 1
+8613 O O . TRP D 4 244 ? 203.13 194.161 168.747 1 8.6 ? 244 M 1
+8614 C CB . TRP D 4 244 ? 205.585 192.903 167.516 1 8.6 ? 244 M 1
+8615 C CG . TRP D 4 244 ? 204.757 192.601 166.325 1 8.6 ? 244 M 1
+8616 C CD1 . TRP D 4 244 ? 205.075 192.865 165.036 1 8.6 ? 244 M 1
+8617 C CD2 . TRP D 4 244 ? 203.481 191.948 166.3 1 8.6 ? 244 M 1
+8618 N NE1 . TRP D 4 244 ? 204.079 192.431 164.206 1 8.6 ? 244 M 1
+8619 C CE2 . TRP D 4 244 ? 203.086 191.864 164.957 1 8.6 ? 244 M 1
+8620 C CE3 . TRP D 4 244 ? 202.633 191.436 167.282 1 8.6 ? 244 M 1
+8621 C CZ2 . TRP D 4 244 ? 201.882 191.289 164.568 1 8.6 ? 244 M 1
+8622 C CZ3 . TRP D 4 244 ? 201.44 190.864 166.897 1 8.6 ? 244 M 1
+8623 C CH2 . TRP D 4 244 ? 201.074 190.795 165.552 1 8.6 ? 244 M 1
+8624 N N . ALA D 4 245 ? 203.692 195.829 167.323 1 11.51 ? 245 M 1
+8625 C CA . ALA D 4 245 ? 202.335 196.33 167.172 1 11.51 ? 245 M 1
+8626 C C . ALA D 4 245 ? 201.952 196.339 165.699 1 11.51 ? 245 M 1
+8627 O O . ALA D 4 245 ? 202.812 196.401 164.821 1 11.51 ? 245 M 1
+8628 C CB . ALA D 4 245 ? 202.195 197.734 167.759 1 11.51 ? 245 M 1
+8629 N N . ALA D 4 246 ? 200.65 196.289 165.434 1 17.33 ? 246 M 1
+8630 C CA . ALA D 4 246 ? 200.159 196.094 164.079 1 17.33 ? 246 M 1
+8631 C C . ALA D 4 246 ? 198.781 196.716 163.936 1 17.33 ? 246 M 1
+8632 O O . ALA D 4 246 ? 198.051 196.853 164.922 1 17.33 ? 246 M 1
+8633 C CB . ALA D 4 246 ? 200.093 194.606 163.73 1 17.33 ? 246 M 1
+8634 N N . VAL D 4 247 ? 198.432 197.074 162.704 1 25.68 ? 247 M 1
+8635 C CA . VAL D 4 247 ? 197.137 197.66 162.384 1 25.68 ? 247 M 1
+8636 C C . VAL D 4 247 ? 196.755 197.259 160.965 1 25.68 ? 247 M 1
+8637 O O . VAL D 4 247 ? 197.621 197.159 160.085 1 25.68 ? 247 M 1
+8638 C CB . VAL D 4 247 ? 197.157 199.192 162.539 1 25.68 ? 247 M 1
+8639 C CG1 . VAL D 4 247 ? 198.272 199.8 161.704 1 25.68 ? 247 M 1
+8640 C CG2 . VAL D 4 247 ? 195.815 199.783 162.162 1 25.68 ? 247 M 1
+8641 N N . VAL D 4 248 ? 195.464 197.015 160.751 1 31.12 ? 248 M 1
+8642 C CA . VAL D 4 248 ? 194.938 196.749 159.417 1 31.12 ? 248 M 1
+8643 C C . VAL D 4 248 ? 194.498 198.066 158.791 1 31.12 ? 248 M 1
+8644 O O . VAL D 4 248 ? 193.874 198.907 159.449 1 31.12 ? 248 M 1
+8645 C CB . VAL D 4 248 ? 193.784 195.734 159.476 1 31.12 ? 248 M 1
+8646 C CG1 . VAL D 4 248 ? 192.687 196.211 160.418 1 31.12 ? 248 M 1
+8647 C CG2 . VAL D 4 248 ? 193.226 195.476 158.085 1 31.12 ? 248 M 1
+8648 N N . VAL D 4 249 ? 194.838 198.255 157.521 1 42.27 ? 249 M 1
+8649 C CA . VAL D 4 249 ? 194.643 199.529 156.836 1 42.27 ? 249 M 1
+8650 C C . VAL D 4 249 ? 194.004 199.275 155.476 1 42.27 ? 249 M 1
+8651 O O . VAL D 4 249 ? 194.262 198.232 154.857 1 42.27 ? 249 M 1
+8652 C CB . VAL D 4 249 ? 195.98 200.276 156.698 1 42.27 ? 249 M 1
+8653 C CG1 . VAL D 4 249 ? 196.952 199.471 155.854 1 42.27 ? 249 M 1
+8654 C CG2 . VAL D 4 249 ? 195.78 201.646 156.088 1 42.27 ? 249 M 1
+8655 N N . PRO D 4 250 ? 193.144 200.168 154.987 1 48.11 ? 250 M 1
+8656 C CA . PRO D 4 250 ? 192.744 200.101 153.579 1 48.11 ? 250 M 1
+8657 C C . PRO D 4 250 ? 193.962 200.229 152.677 1 48.11 ? 250 M 1
+8658 O O . PRO D 4 250 ? 194.887 200.995 152.956 1 48.11 ? 250 M 1
+8659 C CB . PRO D 4 250 ? 191.796 201.294 153.423 1 48.11 ? 250 M 1
+8660 C CG . PRO D 4 250 ? 191.232 201.489 154.785 1 48.11 ? 250 M 1
+8661 C CD . PRO D 4 250 ? 192.331 201.134 155.747 1 48.11 ? 250 M 1
+8662 N N . SER D 4 251 ? 193.955 199.465 151.586 1 54.64 ? 251 M 1
+8663 C CA . SER D 4 251 ? 195.122 199.377 150.717 1 54.64 ? 251 M 1
+8664 C C . SER D 4 251 ? 195.498 200.742 150.155 1 54.64 ? 251 M 1
+8665 O O . SER D 4 251 ? 194.645 201.482 149.659 1 54.64 ? 251 M 1
+8666 C CB . SER D 4 251 ? 194.847 198.395 149.576 1 54.64 ? 251 M 1
+8667 N N . GLY D 4 252 ? 196.787 201.066 150.238 1 53.28 ? 252 M 1
+8668 C CA . GLY D 4 252 ? 197.31 202.299 149.684 1 53.28 ? 252 M 1
+8669 C C . GLY D 4 252 ? 196.736 203.565 150.288 1 53.28 ? 252 M 1
+8670 O O . GLY D 4 252 ? 196.402 204.505 149.561 1 53.28 ? 252 M 1
+8671 N N . GLU D 4 253 ? 196.617 203.606 151.616 1 52.16 ? 253 M 1
+8672 C CA . GLU D 4 253 ? 196.113 204.78 152.319 1 52.16 ? 253 M 1
+8673 C C . GLU D 4 253 ? 196.998 205.126 153.511 1 52.16 ? 253 M 1
+8674 O O . GLU D 4 253 ? 196.507 205.575 154.549 1 52.16 ? 253 M 1
+8675 C CB . GLU D 4 253 ? 194.668 204.57 152.77 1 52.16 ? 253 M 1
+8676 N N . GLU D 4 254 ? 198.308 204.925 153.371 1 49.65 ? 254 M 1
+8677 C CA . GLU D 4 254 ? 199.253 205.087 154.475 1 49.65 ? 254 M 1
+8678 C C . GLU D 4 254 ? 199.714 206.54 154.533 1 49.65 ? 254 M 1
+8679 O O . GLU D 4 254 ? 200.864 206.88 154.243 1 49.65 ? 254 M 1
+8680 C CB . GLU D 4 254 ? 200.424 204.132 154.306 1 49.65 ? 254 M 1
+8681 C CG . GLU D 4 254 ? 200.019 202.682 154.403 1 49.65 ? 254 M 1
+8682 C CD . GLU D 4 254 ? 199.79 202.07 153.042 1 49.65 ? 254 M 1
+8683 O OE1 . GLU D 4 254 ? 199.895 202.802 152.035 1 49.65 ? 254 M 1
+8684 O OE2 . GLU D 4 254 ? 199.511 200.861 152.973 1 49.65 ? 254 M 1
+8685 N N . GLN D 4 255 ? 198.788 207.413 154.921 1 58.08 ? 255 M 1
+8686 C CA . GLN D 4 255 ? 199.099 208.829 155.066 1 58.08 ? 255 M 1
+8687 C C . GLN D 4 255 ? 199.005 209.246 156.526 1 58.08 ? 255 M 1
+8688 O O . GLN D 4 255 ? 199.953 209.814 157.079 1 58.08 ? 255 M 1
+8689 C CB . GLN D 4 255 ? 198.163 209.679 154.204 1 58.08 ? 255 M 1
+8690 C CG . GLN D 4 255 ? 198.36 209.493 152.708 1 58.08 ? 255 M 1
+8691 C CD . GLN D 4 255 ? 197.394 210.321 151.884 1 58.08 ? 255 M 1
+8692 O OE1 . GLN D 4 255 ? 196.308 210.672 152.346 1 58.08 ? 255 M 1
+8693 N NE2 . GLN D 4 255 ? 197.785 210.636 150.655 1 58.08 ? 255 M 1
+8694 N N . ARG D 4 256 ? 197.867 208.965 157.161 1 49.17 ? 256 M 1
+8695 C CA . ARG D 4 256 ? 197.644 209.331 158.557 1 49.17 ? 256 M 1
+8696 C C . ARG D 4 256 ? 197.583 208.055 159.392 1 49.17 ? 256 M 1
+8697 O O . ARG D 4 256 ? 196.517 207.527 159.705 1 49.17 ? 256 M 1
+8698 C CB . ARG D 4 256 ? 196.374 210.163 158.694 1 49.17 ? 256 M 1
+8699 N N . TYR D 4 257 ? 198.765 207.57 159.772 1 38.37 ? 257 M 1
+8700 C CA . TYR D 4 257 ? 198.887 206.379 160.611 1 38.37 ? 257 M 1
+8701 C C . TYR D 4 257 ? 200.196 206.511 161.381 1 38.37 ? 257 M 1
+8702 O O . TYR D 4 257 ? 201.272 206.272 160.828 1 38.37 ? 257 M 1
+8703 C CB . TYR D 4 257 ? 198.848 205.106 159.779 1 38.37 ? 257 M 1
+8704 C CG . TYR D 4 257 ? 197.448 204.616 159.509 1 38.37 ? 257 M 1
+8705 C CD1 . TYR D 4 257 ? 196.726 203.953 160.489 1 38.37 ? 257 M 1
+8706 C CD2 . TYR D 4 257 ? 196.842 204.833 158.283 1 38.37 ? 257 M 1
+8707 C CE1 . TYR D 4 257 ? 195.445 203.509 160.253 1 38.37 ? 257 M 1
+8708 C CE2 . TYR D 4 257 ? 195.558 204.398 158.04 1 38.37 ? 257 M 1
+8709 C CZ . TYR D 4 257 ? 194.865 203.732 159.027 1 38.37 ? 257 M 1
+8710 O OH . TYR D 4 257 ? 193.583 203.292 158.788 1 38.37 ? 257 M 1
+8711 N N . THR D 4 258 ? 200.093 206.889 162.649 1 38.52 ? 258 M 1
+8712 C CA . THR D 4 258 ? 201.254 207.228 163.463 1 38.52 ? 258 M 1
+8713 C C . THR D 4 258 ? 201.449 206.166 164.539 1 38.52 ? 258 M 1
+8714 O O . THR D 4 258 ? 200.574 205.972 165.388 1 38.52 ? 258 M 1
+8715 C CB . THR D 4 258 ? 201.069 208.606 164.091 1 38.52 ? 258 M 1
+8716 O OG1 . THR D 4 258 ? 201.069 209.606 163.064 1 38.52 ? 258 M 1
+8717 C CG2 . THR D 4 258 ? 202.183 208.885 165.062 1 38.52 ? 258 M 1
+8718 N N . CYS D 4 259 ? 202.596 205.486 164.516 1 37.28 ? 259 M 1
+8719 C CA . CYS D 4 259 ? 202.892 204.529 165.574 1 37.28 ? 259 M 1
+8720 C C . CYS D 4 259 ? 203.676 205.229 166.678 1 37.28 ? 259 M 1
+8721 O O . CYS D 4 259 ? 204.911 205.218 166.68 1 37.28 ? 259 M 1
+8722 C CB . CYS D 4 259 ? 203.656 203.312 165.027 1 37.28 ? 259 M 1
+8723 S SG . CYS D 4 259 ? 204.475 202.245 166.275 1 37.28 ? 259 M 1
+8724 N N . HIS D 4 260 ? 202.964 205.87 167.606 1 33.07 ? 260 M 1
+8725 C CA . HIS D 4 260 ? 203.595 206.427 168.795 1 33.07 ? 260 M 1
+8726 C C . HIS D 4 260 ? 204.275 205.334 169.6 1 33.07 ? 260 M 1
+8727 O O . HIS D 4 260 ? 203.619 204.391 170.058 1 33.07 ? 260 M 1
+8728 C CB . HIS D 4 260 ? 202.584 207.15 169.688 1 33.07 ? 260 M 1
+8729 C CG . HIS D 4 260 ? 202.203 208.516 169.211 1 33.07 ? 260 M 1
+8730 N ND1 . HIS D 4 260 ? 202.88 209.175 168.208 1 33.07 ? 260 M 1
+8731 C CD2 . HIS D 4 260 ? 201.218 209.353 169.614 1 33.07 ? 260 M 1
+8732 C CE1 . HIS D 4 260 ? 202.328 210.361 168.015 1 33.07 ? 260 M 1
+8733 N NE2 . HIS D 4 260 ? 201.315 210.491 168.852 1 33.07 ? 260 M 1
+8734 N N . VAL D 4 261 ? 205.587 205.463 169.767 1 34.17 ? 261 M 1
+8735 C CA . VAL D 4 261 ? 206.379 204.628 170.662 1 34.17 ? 261 M 1
+8736 C C . VAL D 4 261 ? 206.758 205.484 171.864 1 34.17 ? 261 M 1
+8737 O O . VAL D 4 261 ? 207.326 206.573 171.718 1 34.17 ? 261 M 1
+8738 C CB . VAL D 4 261 ? 207.608 204.033 169.954 1 34.17 ? 261 M 1
+8739 C CG1 . VAL D 4 261 ? 208.581 205.109 169.517 1 34.17 ? 261 M 1
+8740 C CG2 . VAL D 4 261 ? 208.332 203.079 170.881 1 34.17 ? 261 M 1
+8741 N N . GLN D 4 262 ? 206.391 205.026 173.057 1 31.29 ? 262 M 1
+8742 C CA . GLN D 4 262 ? 206.734 205.721 174.287 1 31.29 ? 262 M 1
+8743 C C . GLN D 4 262 ? 207.488 204.759 175.188 1 31.29 ? 262 M 1
+8744 O O . GLN D 4 262 ? 207.003 203.656 175.476 1 31.29 ? 262 M 1
+8745 C CB . GLN D 4 262 ? 205.483 206.278 174.979 1 31.29 ? 262 M 1
+8746 C CG . GLN D 4 262 ? 205.737 207.101 176.245 1 31.29 ? 262 M 1
+8747 C CD . GLN D 4 262 ? 206.034 206.26 177.476 1 31.29 ? 262 M 1
+8748 O OE1 . GLN D 4 262 ? 205.701 205.076 177.531 1 31.29 ? 262 M 1
+8749 N NE2 . GLN D 4 262 ? 206.666 206.871 178.47 1 31.29 ? 262 M 1
+8750 N N . HIS D 4 263 ? 208.67 205.189 175.626 1 28.83 ? 263 M 1
+8751 C CA . HIS D 4 263 ? 209.564 204.396 176.453 1 28.83 ? 263 M 1
+8752 C C . HIS D 4 263 ? 210.344 205.341 177.356 1 28.83 ? 263 M 1
+8753 O O . HIS D 4 263 ? 210.579 206.5 177.007 1 28.83 ? 263 M 1
+8754 C CB . HIS D 4 263 ? 210.518 203.558 175.595 1 28.83 ? 263 M 1
+8755 C CG . HIS D 4 263 ? 211.423 202.672 176.386 1 28.83 ? 263 M 1
+8756 N ND1 . HIS D 4 263 ? 211.024 202.048 177.547 1 28.83 ? 263 M 1
+8757 C CD2 . HIS D 4 263 ? 212.712 202.31 176.187 1 28.83 ? 263 M 1
+8758 C CE1 . HIS D 4 263 ? 212.027 201.336 178.028 1 28.83 ? 263 M 1
+8759 N NE2 . HIS D 4 263 ? 213.063 201.478 177.222 1 28.83 ? 263 M 1
+8760 N N . GLU D 4 264 ? 210.743 204.832 178.524 1 36.53 ? 264 M 1
+8761 C CA . GLU D 4 264 ? 211.438 205.667 179.5 1 36.53 ? 264 M 1
+8762 C C . GLU D 4 264 ? 212.777 206.157 178.961 1 36.53 ? 264 M 1
+8763 O O . GLU D 4 264 ? 213.161 207.312 179.177 1 36.53 ? 264 M 1
+8764 C CB . GLU D 4 264 ? 211.628 204.895 180.806 1 36.53 ? 264 M 1
+8765 C CG . GLU D 4 264 ? 210.391 204.141 181.26 1 36.53 ? 264 M 1
+8766 C CD . GLU D 4 264 ? 210.708 203.046 182.258 1 36.53 ? 264 M 1
+8767 O OE1 . GLU D 4 264 ? 211.898 202.87 182.593 1 36.53 ? 264 M 1
+8768 O OE2 . GLU D 4 264 ? 209.766 202.359 182.707 1 36.53 ? 264 M 1
+8769 N N . GLY D 4 265 ? 213.503 205.292 178.256 1 40.4 ? 265 M 1
+8770 C CA . GLY D 4 265 ? 214.806 205.66 177.736 1 40.4 ? 265 M 1
+8771 C C . GLY D 4 265 ? 214.79 206.609 176.56 1 40.4 ? 265 M 1
+8772 O O . GLY D 4 265 ? 215.843 207.151 176.21 1 40.4 ? 265 M 1
+8773 N N . LEU D 4 266 ? 213.637 206.822 175.936 1 36.62 ? 266 M 1
+8774 C CA . LEU D 4 266 ? 213.53 207.774 174.846 1 36.62 ? 266 M 1
+8775 C C . LEU D 4 266 ? 213.485 209.202 175.376 1 36.62 ? 266 M 1
+8776 O O . LEU D 4 266 ? 212.906 209.467 176.433 1 36.62 ? 266 M 1
+8777 C CB . LEU D 4 266 ? 212.281 207.488 174.02 1 36.62 ? 266 M 1
+8778 C CG . LEU D 4 266 ? 212.309 206.235 173.148 1 36.62 ? 266 M 1
+8779 C CD1 . LEU D 4 266 ? 210.905 205.868 172.705 1 36.62 ? 266 M 1
+8780 C CD2 . LEU D 4 266 ? 213.212 206.452 171.945 1 36.62 ? 266 M 1
+8781 N N . PRO D 4 267 ? 214.096 210.149 174.658 1 39.13 ? 267 M 1
+8782 C CA . PRO D 4 267 ? 213.971 211.554 175.077 1 39.13 ? 267 M 1
+8783 C C . PRO D 4 267 ? 212.559 212.087 174.926 1 39.13 ? 267 M 1
+8784 O O . PRO D 4 267 ? 212.099 212.867 175.769 1 39.13 ? 267 M 1
+8785 C CB . PRO D 4 267 ? 214.962 212.281 174.158 1 39.13 ? 267 M 1
+8786 C CG . PRO D 4 267 ? 215.053 211.416 172.946 1 39.13 ? 267 M 1
+8787 C CD . PRO D 4 267 ? 214.883 210 173.421 1 39.13 ? 267 M 1
+8788 N N . LYS D 4 268 ? 211.857 211.682 173.873 1 37.59 ? 268 M 1
+8789 C CA . LYS D 4 268 ? 210.481 212.09 173.636 1 37.59 ? 268 M 1
+8790 C C . LYS D 4 268 ? 209.818 211.032 172.768 1 37.59 ? 268 M 1
+8791 O O . LYS D 4 268 ? 210.507 210.298 172.049 1 37.59 ? 268 M 1
+8792 C CB . LYS D 4 268 ? 210.418 213.468 172.957 1 37.59 ? 268 M 1
+8793 N N . PRO D 4 269 ? 208.491 210.916 172.822 1 35.02 ? 269 M 1
+8794 C CA . PRO D 4 269 ? 207.805 209.932 171.977 1 35.02 ? 269 M 1
+8795 C C . PRO D 4 269 ? 208.109 210.16 170.503 1 35.02 ? 269 M 1
+8796 O O . PRO D 4 269 ? 208.189 211.296 170.032 1 35.02 ? 269 M 1
+8797 C CB . PRO D 4 269 ? 206.327 210.17 172.295 1 35.02 ? 269 M 1
+8798 C CG . PRO D 4 269 ? 206.337 210.676 173.693 1 35.02 ? 269 M 1
+8799 C CD . PRO D 4 269 ? 207.579 211.523 173.807 1 35.02 ? 269 M 1
+8800 N N . LEU D 4 270 ? 208.283 209.061 169.775 1 28.56 ? 270 M 1
+8801 C CA . LEU D 4 270 ? 208.695 209.1 168.383 1 28.56 ? 270 M 1
+8802 C C . LEU D 4 270 ? 207.504 208.805 167.473 1 28.56 ? 270 M 1
+8803 O O . LEU D 4 270 ? 206.493 208.232 167.886 1 28.56 ? 270 M 1
+8804 C CB . LEU D 4 270 ? 209.845 208.117 168.15 1 28.56 ? 270 M 1
+8805 C CG . LEU D 4 270 ? 211.183 208.368 168.844 1 28.56 ? 270 M 1
+8806 C CD1 . LEU D 4 270 ? 212.135 207.209 168.602 1 28.56 ? 270 M 1
+8807 C CD2 . LEU D 4 270 ? 211.794 209.672 168.357 1 28.56 ? 270 M 1
+8808 N N . THR D 4 271 ? 207.634 209.206 166.211 1 26.72 ? 271 M 1
+8809 C CA . THR D 4 271 ? 206.571 209.077 165.226 1 26.72 ? 271 M 1
+8810 C C . THR D 4 271 ? 207.117 208.349 164.008 1 26.72 ? 271 M 1
+8811 O O . THR D 4 271 ? 208.235 208.624 163.565 1 26.72 ? 271 M 1
+8812 C CB . THR D 4 271 ? 206.02 210.454 164.832 1 26.72 ? 271 M 1
+8813 O OG1 . THR D 4 271 ? 205.346 211.041 165.952 1 26.72 ? 271 M 1
+8814 C CG2 . THR D 4 271 ? 205.065 210.352 163.653 1 26.72 ? 271 M 1
+8815 N N . LEU D 4 272 ? 206.328 207.42 163.473 1 24.31 ? 272 M 1
+8816 C CA . LEU D 4 272 ? 206.746 206.599 162.348 1 24.31 ? 272 M 1
+8817 C C . LEU D 4 272 ? 205.749 206.73 161.205 1 24.31 ? 272 M 1
+8818 O O . LEU D 4 272 ? 204.539 206.846 161.415 1 24.31 ? 272 M 1
+8819 C CB . LEU D 4 272 ? 206.887 205.123 162.749 1 24.31 ? 272 M 1
+8820 C CG . LEU D 4 272 ? 208.215 204.678 163.367 1 24.31 ? 272 M 1
+8821 C CD1 . LEU D 4 272 ? 208.366 205.201 164.783 1 24.31 ? 272 M 1
+8822 C CD2 . LEU D 4 272 ? 208.337 203.165 163.341 1 24.31 ? 272 M 1
+8823 N N . ARG D 4 273 ? 206.279 206.704 159.985 1 30.36 ? 273 M 1
+8824 C CA . ARG D 4 273 ? 205.481 206.734 158.767 1 30.36 ? 273 M 1
+8825 C C . ARG D 4 273 ? 206.25 206.007 157.675 1 30.36 ? 273 M 1
+8826 O O . ARG D 4 273 ? 207.483 205.964 157.696 1 30.36 ? 273 M 1
+8827 C CB . ARG D 4 273 ? 205.163 208.169 158.334 1 30.36 ? 273 M 1
+8828 C CG . ARG D 4 273 ? 203.882 208.723 158.929 1 30.36 ? 273 M 1
+8829 C CD . ARG D 4 273 ? 203.608 210.134 158.442 1 30.36 ? 273 M 1
+8830 N NE . ARG D 4 273 ? 202.491 210.74 159.154 1 30.36 ? 273 M 1
+8831 C CZ . ARG D 4 273 ? 202.117 212.005 159.022 1 30.36 ? 273 M 1
+8832 N NH1 . ARG D 4 273 ? 202.747 212.83 158.202 1 30.36 ? 273 M 1
+8833 N NH2 . ARG D 4 273 ? 201.086 212.454 159.732 1 30.36 ? 273 M 1
+8834 N N . TRP D 4 274 ? 205.513 205.437 156.728 1 34.33 ? 274 M 1
+8835 C CA . TRP D 4 274 ? 206.124 204.604 155.697 1 34.33 ? 274 M 1
+8836 C C . TRP D 4 274 ? 206.203 205.336 154.362 1 34.33 ? 274 M 1
+8837 O O . TRP D 4 274 ? 207.25 205.354 153.715 1 34.33 ? 274 M 1
+8838 C CB . TRP D 4 274 ? 205.341 203.299 155.537 1 34.33 ? 274 M 1
+8839 C CG . TRP D 4 274 ? 205.963 202.333 154.584 1 34.33 ? 274 M 1
+8840 C CD1 . TRP D 4 274 ? 207.247 201.879 154.603 1 34.33 ? 274 M 1
+8841 C CD2 . TRP D 4 274 ? 205.322 201.679 153.484 1 34.33 ? 274 M 1
+8842 N NE1 . TRP D 4 274 ? 207.451 200.992 153.576 1 34.33 ? 274 M 1
+8843 C CE2 . TRP D 4 274 ? 206.283 200.851 152.874 1 34.33 ? 274 M 1
+8844 C CE3 . TRP D 4 274 ? 204.031 201.718 152.953 1 34.33 ? 274 M 1
+8845 C CZ2 . TRP D 4 274 ? 205.994 200.069 151.76 1 34.33 ? 274 M 1
+8846 C CZ3 . TRP D 4 274 ? 203.746 200.941 151.846 1 34.33 ? 274 M 1
+8847 C CH2 . TRP D 4 274 ? 204.723 200.127 151.261 1 34.33 ? 274 M 1
+8848 N N . VAL E 5 4 ? 198.444 121.706 207.781 1 122.61 ? 4 C 1
+8849 C CA . VAL E 5 4 ? 197.549 122.549 207 1 122.61 ? 4 C 1
+8850 C C . VAL E 5 4 ? 196.331 122.914 207.841 1 122.61 ? 4 C 1
+8851 O O . VAL E 5 4 ? 195.375 122.143 207.935 1 122.61 ? 4 C 1
+8852 C CB . VAL E 5 4 ? 197.128 121.855 205.693 1 122.61 ? 4 C 1
+8853 C CG1 . VAL E 5 4 ? 196.165 122.734 204.904 1 122.61 ? 4 C 1
+8854 C CG2 . VAL E 5 4 ? 198.352 121.502 204.862 1 122.61 ? 4 C 1
+8855 N N . TYR E 5 5 ? 196.377 124.092 208.465 1 126.27 ? 5 C 1
+8856 C CA . TYR E 5 5 ? 195.276 124.524 209.319 1 126.27 ? 5 C 1
+8857 C C . TYR E 5 5 ? 194.021 124.822 208.507 1 126.27 ? 5 C 1
+8858 O O . TYR E 5 5 ? 192.91 124.474 208.922 1 126.27 ? 5 C 1
+8859 C CB . TYR E 5 5 ? 195.694 125.747 210.136 1 126.27 ? 5 C 1
+8860 C CG . TYR E 5 5 ? 196.879 125.496 211.039 1 126.27 ? 5 C 1
+8861 C CD1 . TYR E 5 5 ? 196.959 124.341 211.804 1 126.27 ? 5 C 1
+8862 C CD2 . TYR E 5 5 ? 197.919 126.412 211.124 1 126.27 ? 5 C 1
+8863 C CE1 . TYR E 5 5 ? 198.04 124.105 212.63 1 126.27 ? 5 C 1
+8864 C CE2 . TYR E 5 5 ? 199.005 126.184 211.947 1 126.27 ? 5 C 1
+8865 C CZ . TYR E 5 5 ? 199.06 125.029 212.698 1 126.27 ? 5 C 1
+8866 O OH . TYR E 5 5 ? 200.138 124.797 213.519 1 126.27 ? 5 C 1
+8867 N N . PHE E 5 6 ? 194.174 125.464 207.35 1 125.91 ? 6 C 1
+8868 C CA . PHE E 5 6 ? 193.031 125.798 206.513 1 125.91 ? 6 C 1
+8869 C C . PHE E 5 6 ? 193.485 125.979 205.072 1 125.91 ? 6 C 1
+8870 O O . PHE E 5 6 ? 194.556 126.528 204.809 1 125.91 ? 6 C 1
+8871 C CB . PHE E 5 6 ? 192.331 127.071 207.012 1 125.91 ? 6 C 1
+8872 C CG . PHE E 5 6 ? 191.112 127.445 206.219 1 125.91 ? 6 C 1
+8873 C CD1 . PHE E 5 6 ? 189.906 126.799 206.433 1 125.91 ? 6 C 1
+8874 C CD2 . PHE E 5 6 ? 191.169 128.448 205.266 1 125.91 ? 6 C 1
+8875 C CE1 . PHE E 5 6 ? 188.781 127.143 205.707 1 125.91 ? 6 C 1
+8876 C CE2 . PHE E 5 6 ? 190.048 128.796 204.538 1 125.91 ? 6 C 1
+8877 C CZ . PHE E 5 6 ? 188.853 128.143 204.759 1 125.91 ? 6 C 1
+8878 N N . LYS E 5 7 ? 192.643 125.533 204.141 1 119.6 ? 7 C 1
+8879 C CA . LYS E 5 7 ? 192.94 125.628 202.719 1 119.6 ? 7 C 1
+8880 C C . LYS E 5 7 ? 191.648 125.923 201.97 1 119.6 ? 7 C 1
+8881 O O . LYS E 5 7 ? 190.6 125.354 202.285 1 119.6 ? 7 C 1
+8882 C CB . LYS E 5 7 ? 193.58 124.336 202.197 1 119.6 ? 7 C 1
+8883 C CG . LYS E 5 7 ? 194.029 124.399 200.746 1 119.6 ? 7 C 1
+8884 C CD . LYS E 5 7 ? 194.153 123.006 200.152 1 119.6 ? 7 C 1
+8885 C CE . LYS E 5 7 ? 195.587 122.507 200.209 1 119.6 ? 7 C 1
+8886 N NZ . LYS E 5 7 ? 195.75 121.209 199.5 1 119.6 ? 7 C 1
+8887 N N . GLU E 5 8 ? 191.732 126.811 200.98 1 122.49 ? 8 C 1
+8888 C CA . GLU E 5 8 ? 190.546 127.244 200.245 1 122.49 ? 8 C 1
+8889 C C . GLU E 5 8 ? 190.971 127.789 198.893 1 122.49 ? 8 C 1
+8890 O O . GLU E 5 8 ? 191.668 128.807 198.829 1 122.49 ? 8 C 1
+8891 C CB . GLU E 5 8 ? 189.78 128.304 201.033 1 122.49 ? 8 C 1
+8892 C CG . GLU E 5 8 ? 188.506 128.783 200.362 1 122.49 ? 8 C 1
+8893 C CD . GLU E 5 8 ? 187.431 127.719 200.317 1 122.49 ? 8 C 1
+8894 O OE1 . GLU E 5 8 ? 187.553 126.709 201.042 1 122.49 ? 8 C 1
+8895 O OE2 . GLU E 5 8 ? 186.462 127.887 199.548 1 122.49 ? 8 C 1
+8896 N N . GLN E 5 9 ? 190.553 127.121 197.82 1 119.32 ? 9 C 1
+8897 C CA . GLN E 5 9 ? 190.83 127.567 196.462 1 119.32 ? 9 C 1
+8898 C C . GLN E 5 9 ? 189.569 127.836 195.654 1 119.32 ? 9 C 1
+8899 O O . GLN E 5 9 ? 189.666 128.387 194.551 1 119.32 ? 9 C 1
+8900 C CB . GLN E 5 9 ? 191.695 126.532 195.732 1 119.32 ? 9 C 1
+8901 C CG . GLN E 5 9 ? 193.108 126.382 196.279 1 119.32 ? 9 C 1
+8902 C CD . GLN E 5 9 ? 193.905 125.299 195.577 1 119.32 ? 9 C 1
+8903 O OE1 . GLN E 5 9 ? 193.787 124.116 195.896 1 119.32 ? 9 C 1
+8904 N NE2 . GLN E 5 9 ? 194.725 125.701 194.611 1 119.32 ? 9 C 1
+8905 N N . PHE E 5 10 ? 188.395 127.471 196.171 1 119.19 ? 10 C 1
+8906 C CA . PHE E 5 10 ? 187.128 127.561 195.446 1 119.19 ? 10 C 1
+8907 C C . PHE E 5 10 ? 187.182 126.85 194.098 1 119.19 ? 10 C 1
+8908 O O . PHE E 5 10 ? 186.641 127.35 193.107 1 119.19 ? 10 C 1
+8909 C CB . PHE E 5 10 ? 186.69 129.018 195.253 1 119.19 ? 10 C 1
+8910 C CG . PHE E 5 10 ? 186.392 129.741 196.535 1 119.19 ? 10 C 1
+8911 C CD1 . PHE E 5 10 ? 185.155 129.609 197.146 1 119.19 ? 10 C 1
+8912 C CD2 . PHE E 5 10 ? 187.341 130.558 197.125 1 119.19 ? 10 C 1
+8913 C CE1 . PHE E 5 10 ? 184.872 130.276 198.323 1 119.19 ? 10 C 1
+8914 C CE2 . PHE E 5 10 ? 187.064 131.228 198.303 1 119.19 ? 10 C 1
+8915 C CZ . PHE E 5 10 ? 185.829 131.085 198.903 1 119.19 ? 10 C 1
+8916 N N . LEU E 5 11 ? 187.827 125.69 194.043 1 116.94 ? 11 C 1
+8917 C CA . LEU E 5 11 ? 187.947 124.939 192.8 1 116.94 ? 11 C 1
+8918 C C . LEU E 5 11 ? 186.741 124.029 192.59 1 116.94 ? 11 C 1
+8919 O O . LEU E 5 11 ? 186.287 123.835 191.463 1 116.94 ? 11 C 1
+8920 C CB . LEU E 5 11 ? 189.236 124.115 192.795 1 116.94 ? 11 C 1
+8921 N N . ASP E 5 14 ? 180.047 124.483 193.593 1 118.36 ? 14 C 1
+8922 C CA . ASP E 5 14 ? 179.189 125.158 194.56 1 118.36 ? 14 C 1
+8923 C C . ASP E 5 14 ? 179.287 124.498 195.93 1 118.36 ? 14 C 1
+8924 O O . ASP E 5 14 ? 178.472 124.758 196.815 1 118.36 ? 14 C 1
+8925 C CB . ASP E 5 14 ? 177.737 125.16 194.079 1 118.36 ? 14 C 1
+8926 N N . GLY E 5 15 ? 180.297 123.642 196.1 1 120.95 ? 15 C 1
+8927 C CA . GLY E 5 15 ? 180.478 122.949 197.363 1 120.95 ? 15 C 1
+8928 C C . GLY E 5 15 ? 180.983 123.833 198.483 1 120.95 ? 15 C 1
+8929 O O . GLY E 5 15 ? 180.917 123.435 199.652 1 120.95 ? 15 C 1
+8930 N N . TRP E 5 16 ? 181.484 125.027 198.156 1 123.35 ? 16 C 1
+8931 C CA . TRP E 5 16 ? 181.987 125.93 199.186 1 123.35 ? 16 C 1
+8932 C C . TRP E 5 16 ? 180.892 126.334 200.163 1 123.35 ? 16 C 1
+8933 O O . TRP E 5 16 ? 181.175 126.582 201.34 1 123.35 ? 16 C 1
+8934 C CB . TRP E 5 16 ? 182.61 127.168 198.54 1 123.35 ? 16 C 1
+8935 C CG . TRP E 5 16 ? 181.643 127.966 197.723 1 123.35 ? 16 C 1
+8936 C CD1 . TRP E 5 16 ? 181.315 127.764 196.415 1 123.35 ? 16 C 1
+8937 C CD2 . TRP E 5 16 ? 180.886 129.103 198.157 1 123.35 ? 16 C 1
+8938 N NE1 . TRP E 5 16 ? 180.394 128.699 196.009 1 123.35 ? 16 C 1
+8939 C CE2 . TRP E 5 16 ? 180.116 129.534 197.059 1 123.35 ? 16 C 1
+8940 C CE3 . TRP E 5 16 ? 180.783 129.796 199.366 1 123.35 ? 16 C 1
+8941 C CZ2 . TRP E 5 16 ? 179.255 130.626 197.134 1 123.35 ? 16 C 1
+8942 C CZ3 . TRP E 5 16 ? 179.927 130.88 199.439 1 123.35 ? 16 C 1
+8943 C CH2 . TRP E 5 16 ? 179.174 131.285 198.33 1 123.35 ? 16 C 1
+8944 N N . THR E 5 17 ? 179.64 126.393 199.702 1 122.59 ? 17 C 1
+8945 C CA . THR E 5 17 ? 178.533 126.701 200.599 1 122.59 ? 17 C 1
+8946 C C . THR E 5 17 ? 178.363 125.648 201.685 1 122.59 ? 17 C 1
+8947 O O . THR E 5 17 ? 177.75 125.934 202.719 1 122.59 ? 17 C 1
+8948 C CB . THR E 5 17 ? 177.232 126.848 199.807 1 122.59 ? 17 C 1
+8949 O OG1 . THR E 5 17 ? 176.984 125.648 199.062 1 122.59 ? 17 C 1
+8950 C CG2 . THR E 5 17 ? 177.319 128.028 198.851 1 122.59 ? 17 C 1
+8951 N N . SER E 5 18 ? 178.878 124.436 201.473 1 119.23 ? 18 C 1
+8952 C CA . SER E 5 18 ? 178.859 123.425 202.521 1 119.23 ? 18 C 1
+8953 C C . SER E 5 18 ? 179.818 123.745 203.659 1 119.23 ? 18 C 1
+8954 O O . SER E 5 18 ? 179.51 123.44 204.816 1 119.23 ? 18 C 1
+8955 C CB . SER E 5 18 ? 179.196 122.052 201.934 1 119.23 ? 18 C 1
+8956 N N . ARG E 5 19 ? 180.966 124.35 203.358 1 125.06 ? 19 C 1
+8957 C CA . ARG E 5 19 ? 181.971 124.683 204.361 1 125.06 ? 19 C 1
+8958 C C . ARG E 5 19 ? 181.996 126.169 204.705 1 125.06 ? 19 C 1
+8959 O O . ARG E 5 19 ? 182.718 126.579 205.621 1 125.06 ? 19 C 1
+8960 C CB . ARG E 5 19 ? 183.347 124.211 203.883 1 125.06 ? 19 C 1
+8961 C CG . ARG E 5 19 ? 183.515 122.703 203.842 1 125.06 ? 19 C 1
+8962 C CD . ARG E 5 19 ? 184.978 122.331 203.671 1 125.06 ? 19 C 1
+8963 N NE . ARG E 5 19 ? 185.527 122.806 202.407 1 125.06 ? 19 C 1
+8964 C CZ . ARG E 5 19 ? 185.442 122.138 201.265 1 125.06 ? 19 C 1
+8965 N NH1 . ARG E 5 19 ? 184.838 120.963 201.195 1 125.06 ? 19 C 1
+8966 N NH2 . ARG E 5 19 ? 185.98 122.658 200.166 1 125.06 ? 19 C 1
+8967 N N . TRP E 5 20 ? 181.224 126.983 203.991 1 127.09 ? 20 C 1
+8968 C CA . TRP E 5 20 ? 181.048 128.388 204.33 1 127.09 ? 20 C 1
+8969 C C . TRP E 5 20 ? 179.621 128.618 204.81 1 127.09 ? 20 C 1
+8970 O O . TRP E 5 20 ? 178.665 128.114 204.214 1 127.09 ? 20 C 1
+8971 C CB . TRP E 5 20 ? 181.354 129.276 203.122 1 127.09 ? 20 C 1
+8972 C CG . TRP E 5 20 ? 182.799 129.265 202.717 1 127.09 ? 20 C 1
+8973 C CD1 . TRP E 5 20 ? 183.369 128.51 201.734 1 127.09 ? 20 C 1
+8974 C CD2 . TRP E 5 20 ? 183.85 130.071 203.263 1 127.09 ? 20 C 1
+8975 N NE1 . TRP E 5 20 ? 184.712 128.78 201.647 1 127.09 ? 20 C 1
+8976 C CE2 . TRP E 5 20 ? 185.033 129.737 202.573 1 127.09 ? 20 C 1
+8977 C CE3 . TRP E 5 20 ? 183.907 131.038 204.271 1 127.09 ? 20 C 1
+8978 C CZ2 . TRP E 5 20 ? 186.259 130.335 202.859 1 127.09 ? 20 C 1
+8979 C CZ3 . TRP E 5 20 ? 185.126 131.63 204.554 1 127.09 ? 20 C 1
+8980 C CH2 . TRP E 5 20 ? 186.284 131.276 203.851 1 127.09 ? 20 C 1
+8981 N N . ILE E 5 21 ? 179.477 129.388 205.887 1 125.75 ? 21 C 1
+8982 C CA . ILE E 5 21 ? 178.192 129.573 206.544 1 125.75 ? 21 C 1
+8983 C C . ILE E 5 21 ? 177.937 131.06 206.738 1 125.75 ? 21 C 1
+8984 O O . ILE E 5 21 ? 178.837 131.832 207.091 1 125.75 ? 21 C 1
+8985 C CB . ILE E 5 21 ? 178.128 128.83 207.897 1 125.75 ? 21 C 1
+8986 N N . GLU E 5 22 ? 176.689 131.455 206.506 1 123.93 ? 22 C 1
+8987 C CA . GLU E 5 22 ? 176.252 132.838 206.617 1 123.93 ? 22 C 1
+8988 C C . GLU E 5 22 ? 175.592 133.056 207.971 1 123.93 ? 22 C 1
+8989 O O . GLU E 5 22 ? 174.733 132.268 208.381 1 123.93 ? 22 C 1
+8990 C CB . GLU E 5 22 ? 175.277 133.193 205.492 1 123.93 ? 22 C 1
+8991 C CG . GLU E 5 22 ? 175.901 133.202 204.109 1 123.93 ? 22 C 1
+8992 C CD . GLU E 5 22 ? 174.89 133.486 203.019 1 123.93 ? 22 C 1
+8993 O OE1 . GLU E 5 22 ? 173.676 133.488 203.316 1 123.93 ? 22 C 1
+8994 O OE2 . GLU E 5 22 ? 175.307 133.7 201.862 1 123.93 ? 22 C 1
+8995 N N . SER E 5 23 ? 175.996 134.119 208.659 1 118.16 ? 23 C 1
+8996 C CA . SER E 5 23 ? 175.406 134.457 209.942 1 118.16 ? 23 C 1
+8997 C C . SER E 5 23 ? 173.991 134.998 209.756 1 118.16 ? 23 C 1
+8998 O O . SER E 5 23 ? 173.627 135.519 208.698 1 118.16 ? 23 C 1
+8999 C CB . SER E 5 23 ? 176.267 135.483 210.678 1 118.16 ? 23 C 1
+9000 O OG . SER E 5 23 ? 175.668 135.866 211.904 1 118.16 ? 23 C 1
+9001 N N . LYS E 5 24 ? 173.185 134.861 210.809 1 119.52 ? 24 C 1
+9002 C CA . LYS E 5 24 ? 171.811 135.347 210.808 1 119.52 ? 24 C 1
+9003 C C . LYS E 5 24 ? 171.577 136.433 211.85 1 119.52 ? 24 C 1
+9004 O O . LYS E 5 24 ? 170.426 136.668 212.236 1 119.52 ? 24 C 1
+9005 C CB . LYS E 5 24 ? 170.836 134.187 211.033 1 119.52 ? 24 C 1
+9006 N N . HIS E 5 25 ? 172.637 137.097 212.318 1 121.49 ? 25 C 1
+9007 C CA . HIS E 5 25 ? 172.482 138.132 213.334 1 121.49 ? 25 C 1
+9008 C C . HIS E 5 25 ? 171.656 139.306 212.827 1 121.49 ? 25 C 1
+9009 O O . HIS E 5 25 ? 170.828 139.849 213.566 1 121.49 ? 25 C 1
+9010 C CB . HIS E 5 25 ? 173.857 138.611 213.804 1 121.49 ? 25 C 1
+9011 C CG . HIS E 5 25 ? 173.805 139.545 214.973 1 121.49 ? 25 C 1
+9012 N ND1 . HIS E 5 25 ? 173.555 140.894 214.838 1 121.49 ? 25 C 1
+9013 C CD2 . HIS E 5 25 ? 173.97 139.324 216.298 1 121.49 ? 25 C 1
+9014 C CE1 . HIS E 5 25 ? 173.57 141.464 216.03 1 121.49 ? 25 C 1
+9015 N NE2 . HIS E 5 25 ? 173.819 140.533 216.933 1 121.49 ? 25 C 1
+9016 N N . LYS E 5 26 ? 171.863 139.71 211.577 1 123.52 ? 26 C 1
+9017 C CA . LYS E 5 26 ? 171.139 140.819 210.977 1 123.52 ? 26 C 1
+9018 C C . LYS E 5 26 ? 170.293 140.32 209.815 1 123.52 ? 26 C 1
+9019 O O . LYS E 5 26 ? 170.631 139.331 209.156 1 123.52 ? 26 C 1
+9020 C CB . LYS E 5 26 ? 172.096 141.914 210.489 1 123.52 ? 26 C 1
+9021 C CG . LYS E 5 26 ? 172.864 142.61 211.6 1 123.52 ? 26 C 1
+9022 C CD . LYS E 5 26 ? 171.937 143.453 212.459 1 123.52 ? 26 C 1
+9023 C CE . LYS E 5 26 ? 172.706 144.199 213.536 1 123.52 ? 26 C 1
+9024 N NZ . LYS E 5 26 ? 173.622 145.219 212.954 1 123.52 ? 26 C 1
+9025 N N . SER E 5 27 ? 169.182 141.018 209.569 1 126.36 ? 27 C 1
+9026 C CA . SER E 5 27 ? 168.255 140.67 208.499 1 126.36 ? 27 C 1
+9027 C C . SER E 5 27 ? 168.638 141.297 207.164 1 126.36 ? 27 C 1
+9028 O O . SER E 5 27 ? 167.923 141.117 206.169 1 126.36 ? 27 C 1
+9029 C CB . SER E 5 27 ? 166.832 141.075 208.888 1 126.36 ? 27 C 1
+9030 N N . ASP E 5 28 ? 169.757 142.031 207.114 1 125.85 ? 28 C 1
+9031 C CA . ASP E 5 28 ? 170.176 142.651 205.861 1 125.85 ? 28 C 1
+9032 C C . ASP E 5 28 ? 171.592 142.251 205.455 1 125.85 ? 28 C 1
+9033 O O . ASP E 5 28 ? 172.269 143.036 204.78 1 125.85 ? 28 C 1
+9034 C CB . ASP E 5 28 ? 170.078 144.181 205.963 1 125.85 ? 28 C 1
+9035 C CG . ASP E 5 28 ? 171.108 144.771 206.907 1 125.85 ? 28 C 1
+9036 O OD1 . ASP E 5 28 ? 171.352 144.169 207.973 1 125.85 ? 28 C 1
+9037 O OD2 . ASP E 5 28 ? 171.673 145.836 206.581 1 125.85 ? 28 C 1
+9038 N N . PHE E 5 29 ? 172.055 141.063 205.835 1 122.37 ? 29 C 1
+9039 C CA . PHE E 5 29 ? 173.393 140.629 205.465 1 122.37 ? 29 C 1
+9040 C C . PHE E 5 29 ? 173.503 140.456 203.955 1 122.37 ? 29 C 1
+9041 O O . PHE E 5 29 ? 172.564 140.005 203.293 1 122.37 ? 29 C 1
+9042 C CB . PHE E 5 29 ? 173.739 139.317 206.17 1 122.37 ? 29 C 1
+9043 C CG . PHE E 5 29 ? 174.292 139.5 207.554 1 122.37 ? 29 C 1
+9044 C CD1 . PHE E 5 29 ? 175.175 140.53 207.831 1 122.37 ? 29 C 1
+9045 C CD2 . PHE E 5 29 ? 173.932 138.638 208.576 1 122.37 ? 29 C 1
+9046 C CE1 . PHE E 5 29 ? 175.686 140.699 209.104 1 122.37 ? 29 C 1
+9047 C CE2 . PHE E 5 29 ? 174.44 138.801 209.85 1 122.37 ? 29 C 1
+9048 C CZ . PHE E 5 29 ? 175.318 139.833 210.115 1 122.37 ? 29 C 1
+9049 N N . GLY E 5 30 ? 174.661 140.823 203.413 1 117.9 ? 30 C 1
+9050 C CA . GLY E 5 30 ? 174.867 140.689 201.981 1 117.9 ? 30 C 1
+9051 C C . GLY E 5 30 ? 174.997 139.232 201.574 1 117.9 ? 30 C 1
+9052 O O . GLY E 5 30 ? 175.255 138.354 202.4 1 117.9 ? 30 C 1
+9053 N N . LYS E 5 31 ? 174.815 138.978 200.281 1 115.03 ? 31 C 1
+9054 C CA . LYS E 5 31 ? 174.876 137.627 199.738 1 115.03 ? 31 C 1
+9055 C C . LYS E 5 31 ? 176.167 137.452 198.948 1 115.03 ? 31 C 1
+9056 O O . LYS E 5 31 ? 176.477 138.259 198.065 1 115.03 ? 31 C 1
+9057 C CB . LYS E 5 31 ? 173.661 137.35 198.853 1 115.03 ? 31 C 1
+9058 C CG . LYS E 5 31 ? 172.33 137.297 199.596 1 115.03 ? 31 C 1
+9059 C CD . LYS E 5 31 ? 171.158 137.043 198.656 1 115.03 ? 31 C 1
+9060 C CE . LYS E 5 31 ? 169.836 136.967 199.407 1 115.03 ? 31 C 1
+9061 N NZ . LYS E 5 31 ? 168.688 136.742 198.487 1 115.03 ? 31 C 1
+9062 N N . PHE E 5 32 ? 176.916 136.4 199.266 1 114.42 ? 32 C 1
+9063 C CA . PHE E 5 32 ? 178.128 136.085 198.529 1 114.42 ? 32 C 1
+9064 C C . PHE E 5 32 ? 177.807 135.18 197.343 1 114.42 ? 32 C 1
+9065 O O . PHE E 5 32 ? 176.918 134.327 197.399 1 114.42 ? 32 C 1
+9066 C CB . PHE E 5 32 ? 179.152 135.41 199.441 1 114.42 ? 32 C 1
+9067 C CG . PHE E 5 32 ? 180.073 136.371 200.135 1 114.42 ? 32 C 1
+9068 C CD1 . PHE E 5 32 ? 181.033 137.068 199.421 1 114.42 ? 32 C 1
+9069 C CD2 . PHE E 5 32 ? 179.979 136.577 201.501 1 114.42 ? 32 C 1
+9070 C CE1 . PHE E 5 32 ? 181.883 137.952 200.057 1 114.42 ? 32 C 1
+9071 C CE2 . PHE E 5 32 ? 180.826 137.46 202.143 1 114.42 ? 32 C 1
+9072 C CZ . PHE E 5 32 ? 181.779 138.149 201.42 1 114.42 ? 32 C 1
+9073 N N . VAL E 5 33 ? 178.55 135.377 196.257 1 117.17 ? 33 C 1
+9074 C CA . VAL E 5 33 ? 178.355 134.597 195.038 1 117.17 ? 33 C 1
+9075 C C . VAL E 5 33 ? 179.709 134.083 194.571 1 117.17 ? 33 C 1
+9076 O O . VAL E 5 33 ? 180.719 134.783 194.676 1 117.17 ? 33 C 1
+9077 C CB . VAL E 5 33 ? 177.669 135.419 193.928 1 117.17 ? 33 C 1
+9078 C CG1 . VAL E 5 33 ? 176.212 135.674 194.28 1 117.17 ? 33 C 1
+9079 C CG2 . VAL E 5 33 ? 178.401 136.734 193.704 1 117.17 ? 33 C 1
+9080 N N . LEU E 5 34 ? 179.734 132.853 194.068 1 116.18 ? 34 C 1
+9081 C CA . LEU E 5 34 ? 180.966 132.294 193.529 1 116.18 ? 34 C 1
+9082 C C . LEU E 5 34 ? 181.175 132.798 192.108 1 116.18 ? 34 C 1
+9083 O O . LEU E 5 34 ? 180.394 132.478 191.206 1 116.18 ? 34 C 1
+9084 C CB . LEU E 5 34 ? 180.916 130.769 193.558 1 116.18 ? 34 C 1
+9085 C CG . LEU E 5 34 ? 182.047 130.04 192.832 1 116.18 ? 34 C 1
+9086 C CD1 . LEU E 5 34 ? 183.378 130.283 193.526 1 116.18 ? 34 C 1
+9087 C CD2 . LEU E 5 34 ? 181.748 128.552 192.747 1 116.18 ? 34 C 1
+9088 N N . SER E 5 35 ? 182.226 133.587 191.907 1 115.1 ? 35 C 1
+9089 C CA . SER E 5 35 ? 182.505 134.166 190.601 1 115.1 ? 35 C 1
+9090 C C . SER E 5 35 ? 183.995 134.458 190.505 1 115.1 ? 35 C 1
+9091 O O . SER E 5 35 ? 184.714 134.468 191.507 1 115.1 ? 35 C 1
+9092 C CB . SER E 5 35 ? 181.68 135.435 190.363 1 115.1 ? 35 C 1
+9093 O OG . SER E 5 35 ? 181.976 136.006 189.101 1 115.1 ? 35 C 1
+9094 N N . SER E 5 36 ? 184.449 134.686 189.276 1 115.08 ? 36 C 1
+9095 C CA . SER E 5 36 ? 185.837 135.024 189.003 1 115.08 ? 36 C 1
+9096 C C . SER E 5 36 ? 186.004 136.443 188.478 1 115.08 ? 36 C 1
+9097 O O . SER E 5 36 ? 187.134 136.862 188.208 1 115.08 ? 36 C 1
+9098 C CB . SER E 5 36 ? 186.433 134.025 188.006 1 115.08 ? 36 C 1
+9099 O OG . SER E 5 36 ? 185.781 134.104 186.754 1 115.08 ? 36 C 1
+9100 N N . GLY E 5 37 ? 184.912 137.189 188.328 1 112.69 ? 37 C 1
+9101 C CA . GLY E 5 37 ? 184.975 138.556 187.859 1 112.69 ? 37 C 1
+9102 C C . GLY E 5 37 ? 184.994 138.658 186.345 1 112.69 ? 37 C 1
+9103 O O . GLY E 5 37 ? 185.12 137.673 185.616 1 112.69 ? 37 C 1
+9104 N N . LYS E 5 38 ? 184.859 139.898 185.866 1 114.37 ? 38 C 1
+9105 C CA . LYS E 5 38 ? 184.898 140.147 184.429 1 114.37 ? 38 C 1
+9106 C C . LYS E 5 38 ? 186.262 139.835 183.832 1 114.37 ? 38 C 1
+9107 O O . LYS E 5 38 ? 186.333 139.348 182.698 1 114.37 ? 38 C 1
+9108 C CB . LYS E 5 38 ? 184.519 141.599 184.131 1 114.37 ? 38 C 1
+9109 C CG . LYS E 5 38 ? 183.101 141.968 184.53 1 114.37 ? 38 C 1
+9110 C CD . LYS E 5 38 ? 182.899 143.474 184.503 1 114.37 ? 38 C 1
+9111 C CE . LYS E 5 38 ? 182.929 144.015 183.084 1 114.37 ? 38 C 1
+9112 N NZ . LYS E 5 38 ? 182.669 145.481 183.05 1 114.37 ? 38 C 1
+9113 N N . PHE E 5 39 ? 187.345 140.101 184.562 1 120.77 ? 39 C 1
+9114 C CA . PHE E 5 39 ? 188.679 139.764 184.094 1 120.77 ? 39 C 1
+9115 C C . PHE E 5 39 ? 189.414 138.981 185.171 1 120.77 ? 39 C 1
+9116 O O . PHE E 5 39 ? 189.197 139.185 186.367 1 120.77 ? 39 C 1
+9117 C CB . PHE E 5 39 ? 189.485 141.007 183.688 1 120.77 ? 39 C 1
+9118 C CG . PHE E 5 39 ? 189.98 141.829 184.843 1 120.77 ? 39 C 1
+9119 C CD1 . PHE E 5 39 ? 189.154 142.752 185.46 1 120.77 ? 39 C 1
+9120 C CD2 . PHE E 5 39 ? 191.284 141.701 185.293 1 120.77 ? 39 C 1
+9121 C CE1 . PHE E 5 39 ? 189.615 143.518 186.513 1 120.77 ? 39 C 1
+9122 C CE2 . PHE E 5 39 ? 191.746 142.466 186.347 1 120.77 ? 39 C 1
+9123 C CZ . PHE E 5 39 ? 190.911 143.373 186.958 1 120.77 ? 39 C 1
+9124 N N . TYR E 5 40 ? 190.286 138.082 184.728 1 121.92 ? 40 C 1
+9125 C CA . TYR E 5 40 ? 190.946 137.134 185.615 1 121.92 ? 40 C 1
+9126 C C . TYR E 5 40 ? 192.156 136.556 184.889 1 121.92 ? 40 C 1
+9127 O O . TYR E 5 40 ? 192.422 136.888 183.729 1 121.92 ? 40 C 1
+9128 C CB . TYR E 5 40 ? 189.967 136.04 186.049 1 121.92 ? 40 C 1
+9129 C CG . TYR E 5 40 ? 189.065 135.57 184.928 1 121.92 ? 40 C 1
+9130 C CD1 . TYR E 5 40 ? 189.542 134.728 183.933 1 121.92 ? 40 C 1
+9131 C CD2 . TYR E 5 40 ? 187.739 135.978 184.86 1 121.92 ? 40 C 1
+9132 C CE1 . TYR E 5 40 ? 188.724 134.299 182.905 1 121.92 ? 40 C 1
+9133 C CE2 . TYR E 5 40 ? 186.913 135.554 183.837 1 121.92 ? 40 C 1
+9134 C CZ . TYR E 5 40 ? 187.411 134.715 182.862 1 121.92 ? 40 C 1
+9135 O OH . TYR E 5 40 ? 186.593 134.29 181.84 1 121.92 ? 40 C 1
+9136 N N . GLY E 5 41 ? 192.89 135.685 185.577 1 123.08 ? 41 C 1
+9137 C CA . GLY E 5 41 ? 193.987 134.968 184.96 1 123.08 ? 41 C 1
+9138 C C . GLY E 5 41 ? 193.565 133.596 184.478 1 123.08 ? 41 C 1
+9139 O O . GLY E 5 41 ? 194.218 133 183.617 1 123.08 ? 41 C 1
+9140 N N . ASP E 5 42 ? 192.465 133.086 185.032 1 120.28 ? 42 C 1
+9141 C CA . ASP E 5 42 ? 191.913 131.801 184.623 1 120.28 ? 42 C 1
+9142 C C . ASP E 5 42 ? 190.452 131.75 185.038 1 120.28 ? 42 C 1
+9143 O O . ASP E 5 42 ? 190.09 132.271 186.097 1 120.28 ? 42 C 1
+9144 C CB . ASP E 5 42 ? 192.69 130.636 185.245 1 120.28 ? 42 C 1
+9145 C CG . ASP E 5 42 ? 192.287 129.294 184.666 1 120.28 ? 42 C 1
+9146 O OD1 . ASP E 5 42 ? 191.243 128.752 185.087 1 120.28 ? 42 C 1
+9147 O OD2 . ASP E 5 42 ? 193.012 128.781 183.788 1 120.28 ? 42 C 1
+9148 N N . GLU E 5 43 ? 189.618 131.129 184.2 1 117.91 ? 43 C 1
+9149 C CA . GLU E 5 43 ? 188.189 131.069 184.488 1 117.91 ? 43 C 1
+9150 C C . GLU E 5 43 ? 187.896 130.275 185.755 1 117.91 ? 43 C 1
+9151 O O . GLU E 5 43 ? 187.062 130.691 186.567 1 117.91 ? 43 C 1
+9152 C CB . GLU E 5 43 ? 187.439 130.466 183.3 1 117.91 ? 43 C 1
+9153 N N . GLU E 5 44 ? 188.567 129.139 185.944 1 120.02 ? 44 C 1
+9154 C CA . GLU E 5 44 ? 188.286 128.264 187.076 1 120.02 ? 44 C 1
+9155 C C . GLU E 5 44 ? 189.226 128.515 188.251 1 120.02 ? 44 C 1
+9156 O O . GLU E 5 44 ? 188.811 128.422 189.41 1 120.02 ? 44 C 1
+9157 C CB . GLU E 5 44 ? 188.371 126.799 186.636 1 120.02 ? 44 C 1
+9158 N N . LYS E 5 45 ? 190.493 128.827 187.969 1 123.22 ? 45 C 1
+9159 C CA . LYS E 5 45 ? 191.468 129.003 189.04 1 123.22 ? 45 C 1
+9160 C C . LYS E 5 45 ? 191.188 130.254 189.864 1 123.22 ? 45 C 1
+9161 O O . LYS E 5 45 ? 191.508 130.292 191.058 1 123.22 ? 45 C 1
+9162 C CB . LYS E 5 45 ? 192.88 129.049 188.454 1 123.22 ? 45 C 1
+9163 C CG . LYS E 5 45 ? 193.356 127.743 187.838 1 123.22 ? 45 C 1
+9164 C CD . LYS E 5 45 ? 194.757 127.887 187.26 1 123.22 ? 45 C 1
+9165 C CE . LYS E 5 45 ? 195.249 126.579 186.664 1 123.22 ? 45 C 1
+9166 N NZ . LYS E 5 45 ? 196.609 126.715 186.074 1 123.22 ? 45 C 1
+9167 N N . ASP E 5 46 ? 190.585 131.276 189.259 1 121.99 ? 46 C 1
+9168 C CA . ASP E 5 46 ? 190.34 132.547 189.926 1 121.99 ? 46 C 1
+9169 C C . ASP E 5 46 ? 188.961 132.625 190.569 1 121.99 ? 46 C 1
+9170 O O . ASP E 5 46 ? 188.568 133.698 191.037 1 121.99 ? 46 C 1
+9171 C CB . ASP E 5 46 ? 190.511 133.699 188.934 1 121.99 ? 46 C 1
+9172 N N . LYS E 5 47 ? 188.216 131.522 190.595 1 118.27 ? 47 C 1
+9173 C CA . LYS E 5 47 ? 186.896 131.525 191.209 1 118.27 ? 47 C 1
+9174 C C . LYS E 5 47 ? 187.002 131.782 192.707 1 118.27 ? 47 C 1
+9175 O O . LYS E 5 47 ? 187.919 131.295 193.374 1 118.27 ? 47 C 1
+9176 C CB . LYS E 5 47 ? 186.19 130.194 190.954 1 118.27 ? 47 C 1
+9177 C CG . LYS E 5 47 ? 185.862 129.936 189.494 1 118.27 ? 47 C 1
+9178 C CD . LYS E 5 47 ? 185.389 128.509 189.278 1 118.27 ? 47 C 1
+9179 C CE . LYS E 5 47 ? 184.054 128.26 189.955 1 118.27 ? 47 C 1
+9180 N NZ . LYS E 5 47 ? 183.52 126.905 189.648 1 118.27 ? 47 C 1
+9181 N N . GLY E 5 48 ? 186.059 132.555 193.234 1 114.94 ? 48 C 1
+9182 C CA . GLY E 5 48 ? 186.066 132.874 194.651 1 114.94 ? 48 C 1
+9183 C C . GLY E 5 48 ? 184.795 133.587 195.05 1 114.94 ? 48 C 1
+9184 O O . GLY E 5 48 ? 183.954 133.927 194.213 1 114.94 ? 48 C 1
+9185 N N . LEU E 5 49 ? 184.666 133.805 196.357 1 112.86 ? 49 C 1
+9186 C CA . LEU E 5 49 ? 183.502 134.502 196.887 1 112.86 ? 49 C 1
+9187 C C . LEU E 5 49 ? 183.569 135.984 196.542 1 112.86 ? 49 C 1
+9188 O O . LEU E 5 49 ? 184.632 136.607 196.624 1 112.86 ? 49 C 1
+9189 C CB . LEU E 5 49 ? 183.418 134.313 198.401 1 112.86 ? 49 C 1
+9190 N N . GLN E 5 50 ? 182.427 136.549 196.156 1 111.2 ? 50 C 1
+9191 C CA . GLN E 5 50 ? 182.334 137.943 195.756 1 111.2 ? 50 C 1
+9192 C C . GLN E 5 50 ? 181.061 138.556 196.32 1 111.2 ? 50 C 1
+9193 O O . GLN E 5 50 ? 180.018 137.897 196.383 1 111.2 ? 50 C 1
+9194 C CB . GLN E 5 50 ? 182.346 138.083 194.227 1 111.2 ? 50 C 1
+9195 C CG . GLN E 5 50 ? 182.361 139.518 193.726 1 111.2 ? 50 C 1
+9196 C CD . GLN E 5 50 ? 182.553 139.609 192.226 1 111.2 ? 50 C 1
+9197 O OE1 . GLN E 5 50 ? 182.205 138.688 191.487 1 111.2 ? 50 C 1
+9198 N NE2 . GLN E 5 50 ? 183.111 140.723 191.767 1 111.2 ? 50 C 1
+9199 N N . THR E 5 51 ? 181.16 139.817 196.733 1 114.13 ? 51 C 1
+9200 C CA . THR E 5 51 ? 179.989 140.566 197.164 1 114.13 ? 51 C 1
+9201 C C . THR E 5 51 ? 179.198 141.033 195.949 1 114.13 ? 51 C 1
+9202 O O . THR E 5 51 ? 179.777 141.483 194.955 1 114.13 ? 51 C 1
+9203 C CB . THR E 5 51 ? 180.411 141.763 198.013 1 114.13 ? 51 C 1
+9204 O OG1 . THR E 5 51 ? 181.303 142.593 197.258 1 114.13 ? 51 C 1
+9205 C CG2 . THR E 5 51 ? 181.116 141.296 199.275 1 114.13 ? 51 C 1
+9206 N N . SER E 5 52 ? 177.873 140.926 196.026 1 115.73 ? 52 C 1
+9207 C CA . SER E 5 52 ? 177.003 141.271 194.911 1 115.73 ? 52 C 1
+9208 C C . SER E 5 52 ? 175.928 142.288 195.271 1 115.73 ? 52 C 1
+9209 O O . SER E 5 52 ? 175.041 142.544 194.45 1 115.73 ? 52 C 1
+9210 C CB . SER E 5 52 ? 176.344 140.007 194.345 1 115.73 ? 52 C 1
+9211 O OG . SER E 5 52 ? 175.529 139.377 195.318 1 115.73 ? 52 C 1
+9212 N N . GLN E 5 53 ? 175.977 142.872 196.465 1 113.74 ? 53 C 1
+9213 C CA . GLN E 5 53 ? 174.992 143.855 196.901 1 113.74 ? 53 C 1
+9214 C C . GLN E 5 53 ? 175.718 145.085 197.426 1 113.74 ? 53 C 1
+9215 O O . GLN E 5 53 ? 176.587 144.973 198.297 1 113.74 ? 53 C 1
+9216 C CB . GLN E 5 53 ? 174.071 143.274 197.975 1 113.74 ? 53 C 1
+9217 C CG . GLN E 5 53 ? 173.16 142.165 197.479 1 113.74 ? 53 C 1
+9218 C CD . GLN E 5 53 ? 172.318 141.569 198.586 1 113.74 ? 53 C 1
+9219 O OE1 . GLN E 5 53 ? 172.689 141.621 199.759 1 113.74 ? 53 C 1
+9220 N NE2 . GLN E 5 53 ? 171.181 140.992 198.219 1 113.74 ? 53 C 1
+9221 N N . ASP E 5 54 ? 175.354 146.252 196.903 1 112.02 ? 54 C 1
+9222 C CA . ASP E 5 54 ? 176.018 147.486 197.286 1 112.02 ? 54 C 1
+9223 C C . ASP E 5 54 ? 175.422 148.054 198.572 1 112.02 ? 54 C 1
+9224 O O . ASP E 5 54 ? 174.215 147.977 198.821 1 112.02 ? 54 C 1
+9225 C CB . ASP E 5 54 ? 175.917 148.517 196.161 1 112.02 ? 54 C 1
+9226 C CG . ASP E 5 54 ? 176.964 148.309 195.085 1 112.02 ? 54 C 1
+9227 O OD1 . ASP E 5 54 ? 177.371 147.149 194.866 1 112.02 ? 54 C 1
+9228 O OD2 . ASP E 5 54 ? 177.385 149.306 194.462 1 112.02 ? 54 C 1
+9229 N N . ALA E 5 55 ? 176.298 148.629 199.391 1 108.73 ? 55 C 1
+9230 C CA . ALA E 5 55 ? 175.927 149.318 200.627 1 108.73 ? 55 C 1
+9231 C C . ALA E 5 55 ? 175.149 148.398 201.567 1 108.73 ? 55 C 1
+9232 O O . ALA E 5 55 ? 174.032 148.691 201.994 1 108.73 ? 55 C 1
+9233 C CB . ALA E 5 55 ? 175.136 150.59 200.326 1 108.73 ? 55 C 1
+9234 N N . ARG E 5 56 ? 175.774 147.268 201.894 1 113.84 ? 56 C 1
+9235 C CA . ARG E 5 56 ? 175.192 146.287 202.798 1 113.84 ? 56 C 1
+9236 C C . ARG E 5 56 ? 176.299 145.601 203.584 1 113.84 ? 56 C 1
+9237 O O . ARG E 5 56 ? 177.458 145.577 203.163 1 113.84 ? 56 C 1
+9238 C CB . ARG E 5 56 ? 174.357 145.242 202.04 1 113.84 ? 56 C 1
+9239 C CG . ARG E 5 56 ? 173.11 145.805 201.373 1 113.84 ? 56 C 1
+9240 C CD . ARG E 5 56 ? 172.287 144.721 200.703 1 113.84 ? 56 C 1
+9241 N NE . ARG E 5 56 ? 171.099 145.244 200.039 1 113.84 ? 56 C 1
+9242 C CZ . ARG E 5 56 ? 169.952 145.504 200.65 1 113.84 ? 56 C 1
+9243 N NH1 . ARG E 5 56 ? 169.793 145.284 201.945 1 113.84 ? 56 C 1
+9244 N NH2 . ARG E 5 56 ? 168.939 146.001 199.945 1 113.84 ? 56 C 1
+9245 N N . PHE E 5 57 ? 175.929 145.046 204.736 1 114.42 ? 57 C 1
+9246 C CA . PHE E 5 57 ? 176.861 144.314 205.581 1 114.42 ? 57 C 1
+9247 C C . PHE E 5 57 ? 176.986 142.873 205.107 1 114.42 ? 57 C 1
+9248 O O . PHE E 5 57 ? 176.05 142.31 204.534 1 114.42 ? 57 C 1
+9249 C CB . PHE E 5 57 ? 176.405 144.336 207.042 1 114.42 ? 57 C 1
+9250 C CG . PHE E 5 57 ? 176.417 145.702 207.666 1 114.42 ? 57 C 1
+9251 C CD1 . PHE E 5 57 ? 177.59 146.235 208.175 1 114.42 ? 57 C 1
+9252 C CD2 . PHE E 5 57 ? 175.255 146.45 207.753 1 114.42 ? 57 C 1
+9253 C CE1 . PHE E 5 57 ? 177.604 147.49 208.756 1 114.42 ? 57 C 1
+9254 C CE2 . PHE E 5 57 ? 175.262 147.705 208.331 1 114.42 ? 57 C 1
+9255 C CZ . PHE E 5 57 ? 176.439 148.226 208.833 1 114.42 ? 57 C 1
+9256 N N . TYR E 5 58 ? 178.152 142.281 205.349 1 113.43 ? 58 C 1
+9257 C CA . TYR E 5 58 ? 178.416 140.887 205.031 1 113.43 ? 58 C 1
+9258 C C . TYR E 5 58 ? 178.996 140.171 206.243 1 113.43 ? 58 C 1
+9259 O O . TYR E 5 58 ? 179.713 140.759 207.057 1 113.43 ? 58 C 1
+9260 C CB . TYR E 5 58 ? 179.377 140.757 203.843 1 113.43 ? 58 C 1
+9261 C CG . TYR E 5 58 ? 178.752 141.047 202.496 1 113.43 ? 58 C 1
+9262 C CD1 . TYR E 5 58 ? 178.39 142.338 202.135 1 113.43 ? 58 C 1
+9263 C CD2 . TYR E 5 58 ? 178.525 140.025 201.585 1 113.43 ? 58 C 1
+9264 C CE1 . TYR E 5 58 ? 177.82 142.601 200.904 1 113.43 ? 58 C 1
+9265 C CE2 . TYR E 5 58 ? 177.956 140.279 200.353 1 113.43 ? 58 C 1
+9266 C CZ . TYR E 5 58 ? 177.605 141.568 200.018 1 113.43 ? 58 C 1
+9267 O OH . TYR E 5 58 ? 177.038 141.821 198.79 1 113.43 ? 58 C 1
+9268 N N . ALA E 5 59 ? 178.669 138.884 206.357 1 118.75 ? 59 C 1
+9269 C CA . ALA E 5 59 ? 179.185 138.055 207.439 1 118.75 ? 59 C 1
+9270 C C . ALA E 5 59 ? 179.237 136.59 207.023 1 118.75 ? 59 C 1
+9271 O O . ALA E 5 59 ? 178.218 135.893 207.059 1 118.75 ? 59 C 1
+9272 C CB . ALA E 5 59 ? 178.331 138.22 208.697 1 118.75 ? 59 C 1
+9273 N N . LEU E 5 60 ? 180.417 136.113 206.634 1 121.35 ? 60 C 1
+9274 C CA . LEU E 5 60 ? 180.612 134.74 206.19 1 121.35 ? 60 C 1
+9275 C C . LEU E 5 60 ? 181.754 134.116 206.978 1 121.35 ? 60 C 1
+9276 O O . LEU E 5 60 ? 182.835 134.705 207.08 1 121.35 ? 60 C 1
+9277 C CB . LEU E 5 60 ? 180.912 134.687 204.69 1 121.35 ? 60 C 1
+9278 C CG . LEU E 5 60 ? 180.945 133.304 204.039 1 121.35 ? 60 C 1
+9279 C CD1 . LEU E 5 60 ? 179.567 132.667 204.057 1 121.35 ? 60 C 1
+9280 C CD2 . LEU E 5 60 ? 181.478 133.399 202.619 1 121.35 ? 60 C 1
+9281 N N . SER E 5 61 ? 181.522 132.92 207.518 1 125.16 ? 61 C 1
+9282 C CA . SER E 5 61 ? 182.496 132.26 208.377 1 125.16 ? 61 C 1
+9283 C C . SER E 5 61 ? 182.65 130.8 207.977 1 125.16 ? 61 C 1
+9284 O O . SER E 5 61 ? 181.686 130.156 207.557 1 125.16 ? 61 C 1
+9285 C CB . SER E 5 61 ? 182.081 132.358 209.849 1 125.16 ? 61 C 1
+9286 O OG . SER E 5 61 ? 180.869 131.665 210.085 1 125.16 ? 61 C 1
+9287 N N . ALA E 5 62 ? 183.868 130.28 208.108 1 125.95 ? 62 C 1
+9288 C CA . ALA E 5 62 ? 184.16 128.88 207.827 1 125.95 ? 62 C 1
+9289 C C . ALA E 5 62 ? 184.779 128.247 209.063 1 125.95 ? 62 C 1
+9290 O O . ALA E 5 62 ? 185.726 128.795 209.638 1 125.95 ? 62 C 1
+9291 C CB . ALA E 5 62 ? 185.097 128.74 206.627 1 125.95 ? 62 C 1
+9292 N N . SER E 5 63 ? 184.252 127.095 209.464 1 129.17 ? 63 C 1
+9293 C CA . SER E 5 63 ? 184.808 126.359 210.587 1 129.17 ? 63 C 1
+9294 C C . SER E 5 63 ? 185.885 125.393 210.11 1 129.17 ? 63 C 1
+9295 O O . SER E 5 63 ? 185.88 124.939 208.962 1 129.17 ? 63 C 1
+9296 C CB . SER E 5 63 ? 183.709 125.595 211.328 1 129.17 ? 63 C 1
+9297 N N . PHE E 5 64 ? 186.815 125.08 211.008 1 130.49 ? 64 C 1
+9298 C CA . PHE E 5 64 ? 187.902 124.162 210.698 1 130.49 ? 64 C 1
+9299 C C . PHE E 5 64 ? 188.412 123.56 212 1 130.49 ? 64 C 1
+9300 O O . PHE E 5 64 ? 187.919 123.872 213.087 1 130.49 ? 64 C 1
+9301 C CB . PHE E 5 64 ? 189.025 124.863 209.922 1 130.49 ? 64 C 1
+9302 C CG . PHE E 5 64 ? 189.633 126.03 210.648 1 130.49 ? 64 C 1
+9303 C CD1 . PHE E 5 64 ? 190.728 125.855 211.477 1 130.49 ? 64 C 1
+9304 C CD2 . PHE E 5 64 ? 189.114 127.304 210.495 1 130.49 ? 64 C 1
+9305 C CE1 . PHE E 5 64 ? 191.29 126.926 212.144 1 130.49 ? 64 C 1
+9306 C CE2 . PHE E 5 64 ? 189.672 128.38 211.158 1 130.49 ? 64 C 1
+9307 C CZ . PHE E 5 64 ? 190.761 128.19 211.984 1 130.49 ? 64 C 1
+9308 N N . GLU E 5 65 ? 189.406 122.686 211.873 1 131.45 ? 65 C 1
+9309 C CA . GLU E 5 65 ? 189.958 121.979 213.016 1 131.45 ? 65 C 1
+9310 C C . GLU E 5 65 ? 190.616 122.963 213.982 1 131.45 ? 65 C 1
+9311 O O . GLU E 5 65 ? 191.499 123.73 213.569 1 131.45 ? 65 C 1
+9312 C CB . GLU E 5 65 ? 190.974 120.937 212.555 1 131.45 ? 65 C 1
+9313 N N . PRO E 5 66 ? 190.219 122.978 215.254 1 131.41 ? 66 C 1
+9314 C CA . PRO E 5 66 ? 190.83 123.911 216.21 1 131.41 ? 66 C 1
+9315 C C . PRO E 5 66 ? 192.322 123.655 216.364 1 131.41 ? 66 C 1
+9316 O O . PRO E 5 66 ? 192.782 122.511 216.339 1 131.41 ? 66 C 1
+9317 C CB . PRO E 5 66 ? 190.068 123.632 217.512 1 131.41 ? 66 C 1
+9318 C CG . PRO E 5 66 ? 188.781 123.006 217.074 1 131.41 ? 66 C 1
+9319 C CD . PRO E 5 66 ? 189.127 122.199 215.861 1 131.41 ? 66 C 1
+9320 N N . PHE E 5 67 ? 193.079 124.738 216.524 1 133.25 ? 67 C 1
+9321 C CA . PHE E 5 67 ? 194.52 124.664 216.708 1 133.25 ? 67 C 1
+9322 C C . PHE E 5 67 ? 194.989 125.902 217.457 1 133.25 ? 67 C 1
+9323 O O . PHE E 5 67 ? 194.32 126.937 217.469 1 133.25 ? 67 C 1
+9324 C CB . PHE E 5 67 ? 195.252 124.528 215.364 1 133.25 ? 67 C 1
+9325 C CG . PHE E 5 67 ? 195.446 125.831 214.64 1 133.25 ? 67 C 1
+9326 C CD1 . PHE E 5 67 ? 196.624 126.55 214.774 1 133.25 ? 67 C 1
+9327 C CD2 . PHE E 5 67 ? 194.447 126.336 213.825 1 133.25 ? 67 C 1
+9328 C CE1 . PHE E 5 67 ? 196.798 127.749 214.11 1 133.25 ? 67 C 1
+9329 C CE2 . PHE E 5 67 ? 194.617 127.533 213.158 1 133.25 ? 67 C 1
+9330 C CZ . PHE E 5 67 ? 195.794 128.24 213.3 1 133.25 ? 67 C 1
+9331 N N . SER E 5 68 ? 196.162 125.787 218.075 1 130.67 ? 68 C 1
+9332 C CA . SER E 5 68 ? 196.745 126.858 218.869 1 130.67 ? 68 C 1
+9333 C C . SER E 5 68 ? 198.069 127.292 218.259 1 130.67 ? 68 C 1
+9334 O O . SER E 5 68 ? 198.775 126.486 217.644 1 130.67 ? 68 C 1
+9335 C CB . SER E 5 68 ? 196.958 126.418 220.321 1 130.67 ? 68 C 1
+9336 O OG . SER E 5 68 ? 197.595 127.437 221.073 1 130.67 ? 68 C 1
+9337 N N . ASN E 5 69 ? 198.401 128.571 218.432 1 130.44 ? 69 C 1
+9338 C CA . ASN E 5 69 ? 199.627 129.147 217.9 1 130.44 ? 69 C 1
+9339 C C . ASN E 5 69 ? 200.753 129.194 218.927 1 130.44 ? 69 C 1
+9340 O O . ASN E 5 69 ? 201.805 129.784 218.655 1 130.44 ? 69 C 1
+9341 C CB . ASN E 5 69 ? 199.356 130.552 217.356 1 130.44 ? 69 C 1
+9342 N N . LYS E 5 70 ? 200.557 128.589 220.096 1 131.92 ? 70 C 1
+9343 C CA . LYS E 5 70 ? 201.561 128.638 221.151 1 131.92 ? 70 C 1
+9344 C C . LYS E 5 70 ? 202.766 127.784 220.772 1 131.92 ? 70 C 1
+9345 O O . LYS E 5 70 ? 202.627 126.588 220.495 1 131.92 ? 70 C 1
+9346 C CB . LYS E 5 70 ? 200.961 128.162 222.472 1 131.92 ? 70 C 1
+9347 N N . GLY E 5 71 ? 203.946 128.4 220.759 1 131.94 ? 71 C 1
+9348 C CA . GLY E 5 71 ? 205.174 127.679 220.493 1 131.94 ? 71 C 1
+9349 C C . GLY E 5 71 ? 205.408 127.3 219.05 1 131.94 ? 71 C 1
+9350 O O . GLY E 5 71 ? 206.33 126.526 218.774 1 131.94 ? 71 C 1
+9351 N N . GLN E 5 72 ? 204.609 127.814 218.118 1 129.92 ? 72 C 1
+9352 C CA . GLN E 5 72 ? 204.771 127.474 216.713 1 129.92 ? 72 C 1
+9353 C C . GLN E 5 72 ? 204.321 128.649 215.856 1 129.92 ? 72 C 1
+9354 O O . GLN E 5 72 ? 203.39 129.373 216.219 1 129.92 ? 72 C 1
+9355 C CB . GLN E 5 72 ? 203.991 126.201 216.359 1 129.92 ? 72 C 1
+9356 C CG . GLN E 5 72 ? 204.511 124.93 217.007 1 129.92 ? 72 C 1
+9357 C CD . GLN E 5 72 ? 203.659 123.724 216.678 1 129.92 ? 72 C 1
+9358 O OE1 . GLN E 5 72 ? 202.476 123.857 216.373 1 129.92 ? 72 C 1
+9359 N NE2 . GLN E 5 72 ? 204.255 122.54 216.734 1 129.92 ? 72 C 1
+9360 N N . THR E 5 73 ? 204.994 128.83 214.722 1 130.02 ? 73 C 1
+9361 C CA . THR E 5 73 ? 204.712 129.954 213.841 1 130.02 ? 73 C 1
+9362 C C . THR E 5 73 ? 203.358 129.781 213.157 1 130.02 ? 73 C 1
+9363 O O . THR E 5 73 ? 202.987 128.684 212.735 1 130.02 ? 73 C 1
+9364 C CB . THR E 5 73 ? 205.818 130.085 212.791 1 130.02 ? 73 C 1
+9365 O OG1 . THR E 5 73 ? 207.087 130.212 213.446 1 130.02 ? 73 C 1
+9366 C CG2 . THR E 5 73 ? 205.589 131.3 211.906 1 130.02 ? 73 C 1
+9367 N N . LEU E 5 74 ? 202.616 130.88 213.054 1 127.56 ? 74 C 1
+9368 C CA . LEU E 5 74 ? 201.328 130.895 212.373 1 127.56 ? 74 C 1
+9369 C C . LEU E 5 74 ? 201.389 131.811 211.158 1 127.56 ? 74 C 1
+9370 O O . LEU E 5 74 ? 201.833 132.959 211.255 1 127.56 ? 74 C 1
+9371 C CB . LEU E 5 74 ? 200.214 131.351 213.316 1 127.56 ? 74 C 1
+9372 C CG . LEU E 5 74 ? 198.868 131.653 212.656 1 127.56 ? 74 C 1
+9373 C CD1 . LEU E 5 74 ? 198.297 130.4 212.015 1 127.56 ? 74 C 1
+9374 C CD2 . LEU E 5 74 ? 197.891 132.233 213.665 1 127.56 ? 74 C 1
+9375 N N . VAL E 5 75 ? 200.93 131.304 210.014 1 128.13 ? 75 C 1
+9376 C CA . VAL E 5 75 ? 200.989 132.031 208.75 1 128.13 ? 75 C 1
+9377 C C . VAL E 5 75 ? 199.594 132.014 208.138 1 128.13 ? 75 C 1
+9378 O O . VAL E 5 75 ? 198.956 130.958 208.071 1 128.13 ? 75 C 1
+9379 C CB . VAL E 5 75 ? 202.009 131.426 207.773 1 128.13 ? 75 C 1
+9380 C CG1 . VAL E 5 75 ? 202.03 132.214 206.47 1 128.13 ? 75 C 1
+9381 C CG2 . VAL E 5 75 ? 203.393 131.379 208.402 1 128.13 ? 75 C 1
+9382 N N . VAL E 5 76 ? 199.122 133.176 207.692 1 125.29 ? 76 C 1
+9383 C CA . VAL E 5 76 ? 197.859 133.299 206.972 1 125.29 ? 76 C 1
+9384 C C . VAL E 5 76 ? 198.145 133.98 205.64 1 125.29 ? 76 C 1
+9385 O O . VAL E 5 76 ? 199.073 134.791 205.534 1 125.29 ? 76 C 1
+9386 C CB . VAL E 5 76 ? 196.805 134.066 207.793 1 125.29 ? 76 C 1
+9387 C CG1 . VAL E 5 76 ? 197.18 135.525 207.936 1 125.29 ? 76 C 1
+9388 C CG2 . VAL E 5 76 ? 195.419 133.917 207.174 1 125.29 ? 76 C 1
+9389 N N . GLN E 5 77 ? 197.347 133.649 204.627 1 126.82 ? 77 C 1
+9390 C CA . GLN E 5 77 ? 197.648 133.937 203.232 1 126.82 ? 77 C 1
+9391 C C . GLN E 5 77 ? 196.343 134.02 202.457 1 126.82 ? 77 C 1
+9392 O O . GLN E 5 77 ? 195.519 133.107 202.546 1 126.82 ? 77 C 1
+9393 C CB . GLN E 5 77 ? 198.568 132.87 202.635 1 126.82 ? 77 C 1
+9394 N N . PHE E 5 78 ? 196.138 135.109 201.715 1 123.08 ? 78 C 1
+9395 C CA . PHE E 5 78 ? 194.913 135.22 200.931 1 123.08 ? 78 C 1
+9396 C C . PHE E 5 78 ? 195.032 136.296 199.86 1 123.08 ? 78 C 1
+9397 O O . PHE E 5 78 ? 195.834 137.227 199.959 1 123.08 ? 78 C 1
+9398 C CB . PHE E 5 78 ? 193.689 135.494 201.823 1 123.08 ? 78 C 1
+9399 C CG . PHE E 5 78 ? 193.743 136.802 202.551 1 123.08 ? 78 C 1
+9400 C CD1 . PHE E 5 78 ? 194.321 136.885 203.804 1 123.08 ? 78 C 1
+9401 C CD2 . PHE E 5 78 ? 193.198 137.945 201.993 1 123.08 ? 78 C 1
+9402 C CE1 . PHE E 5 78 ? 194.369 138.085 204.482 1 123.08 ? 78 C 1
+9403 C CE2 . PHE E 5 78 ? 193.244 139.15 202.666 1 123.08 ? 78 C 1
+9404 C CZ . PHE E 5 78 ? 193.829 139.219 203.912 1 123.08 ? 78 C 1
+9405 N N . THR E 5 79 ? 194.182 136.164 198.844 1 118.46 ? 79 C 1
+9406 C CA . THR E 5 79 ? 194.142 137.066 197.703 1 118.46 ? 79 C 1
+9407 C C . THR E 5 79 ? 192.802 137.787 197.647 1 118.46 ? 79 C 1
+9408 O O . THR E 5 79 ? 191.739 137.163 197.762 1 118.46 ? 79 C 1
+9409 C CB . THR E 5 79 ? 194.37 136.31 196.391 1 118.46 ? 79 C 1
+9410 O OG1 . THR E 5 79 ? 193.329 135.343 196.209 1 118.46 ? 79 C 1
+9411 C CG2 . THR E 5 79 ? 195.71 135.598 196.414 1 118.46 ? 79 C 1
+9412 N N . VAL E 5 80 ? 192.865 139.104 197.461 1 116.98 ? 80 C 1
+9413 C CA . VAL E 5 80 ? 191.693 139.966 197.376 1 116.98 ? 80 C 1
+9414 C C . VAL E 5 80 ? 191.726 140.731 196.061 1 116.98 ? 80 C 1
+9415 O O . VAL E 5 80 ? 192.77 141.262 195.665 1 116.98 ? 80 C 1
+9416 C CB . VAL E 5 80 ? 191.61 140.936 198.573 1 116.98 ? 80 C 1
+9417 C CG1 . VAL E 5 80 ? 190.478 141.932 198.379 1 116.98 ? 80 C 1
+9418 C CG2 . VAL E 5 80 ? 191.425 140.165 199.863 1 116.98 ? 80 C 1
+9419 N N . LYS E 5 81 ? 190.566 140.743 195.388 1 115.41 ? 81 C 1
+9420 C CA . LYS E 5 81 ? 190.434 141.463 194.095 1 115.41 ? 81 C 1
+9421 C C . LYS E 5 81 ? 189.394 142.575 194.257 1 115.41 ? 81 C 1
+9422 O O . LYS E 5 81 ? 188.239 142.254 194.599 1 115.41 ? 81 C 1
+9423 C CB . LYS E 5 81 ? 190.029 140.513 192.964 1 115.41 ? 81 C 1
+9424 C CG . LYS E 5 81 ? 190.009 141.145 191.579 1 115.41 ? 81 C 1
+9425 C CD . LYS E 5 81 ? 189.177 140.386 190.569 1 115.41 ? 81 C 1
+9426 C CE . LYS E 5 81 ? 189.563 138.926 190.449 1 115.41 ? 81 C 1
+9427 N NZ . LYS E 5 81 ? 188.827 138.253 189.353 1 115.41 ? 81 C 1
+9428 N N . HIS E 5 82 ? 189.79 143.823 194.022 1 113.66 ? 82 C 1
+9429 C CA . HIS E 5 82 ? 188.921 144.994 194.13 1 113.66 ? 82 C 1
+9430 C C . HIS E 5 82 ? 188.463 145.472 192.761 1 113.66 ? 82 C 1
+9431 O O . HIS E 5 82 ? 188.407 146.676 192.492 1 113.66 ? 82 C 1
+9432 C CB . HIS E 5 82 ? 189.602 146.121 194.898 1 113.66 ? 82 C 1
+9433 C CG . HIS E 5 82 ? 189.864 145.796 196.335 1 113.66 ? 82 C 1
+9434 N ND1 . HIS E 5 82 ? 188.852 145.616 197.253 1 113.66 ? 82 C 1
+9435 C CD2 . HIS E 5 82 ? 191.023 145.615 197.012 1 113.66 ? 82 C 1
+9436 C CE1 . HIS E 5 82 ? 189.376 145.339 198.433 1 113.66 ? 82 C 1
+9437 N NE2 . HIS E 5 82 ? 190.691 145.333 198.314 1 113.66 ? 82 C 1
+9438 N N . GLU E 5 83 ? 188.151 144.517 191.879 1 117.74 ? 83 C 1
+9439 C CA . GLU E 5 83 ? 187.793 144.793 190.492 1 117.74 ? 83 C 1
+9440 C C . GLU E 5 83 ? 186.769 145.911 190.339 1 117.74 ? 83 C 1
+9441 O O . GLU E 5 83 ? 186.832 146.663 189.36 1 117.74 ? 83 C 1
+9442 C CB . GLU E 5 83 ? 187.262 143.512 189.851 1 117.74 ? 83 C 1
+9443 C CG . GLU E 5 83 ? 186.83 143.66 188.415 1 117.74 ? 83 C 1
+9444 C CD . GLU E 5 83 ? 186.451 142.336 187.797 1 117.74 ? 83 C 1
+9445 O OE1 . GLU E 5 83 ? 186.449 141.321 188.524 1 117.74 ? 83 C 1
+9446 O OE2 . GLU E 5 83 ? 186.173 142.308 186.584 1 117.74 ? 83 C 1
+9447 N N . GLN E 5 84 ? 185.843 146.052 191.282 1 116.16 ? 84 C 1
+9448 C CA . GLN E 5 84 ? 184.798 147.061 191.175 1 116.16 ? 84 C 1
+9449 C C . GLN E 5 84 ? 185.3 148.478 191.429 1 116.16 ? 84 C 1
+9450 O O . GLN E 5 84 ? 184.494 149.413 191.375 1 116.16 ? 84 C 1
+9451 C CB . GLN E 5 84 ? 183.66 146.738 192.147 1 116.16 ? 84 C 1
+9452 C CG . GLN E 5 84 ? 183.923 147.159 193.586 1 116.16 ? 84 C 1
+9453 C CD . GLN E 5 84 ? 184.752 146.147 194.357 1 116.16 ? 84 C 1
+9454 O OE1 . GLN E 5 84 ? 185.573 145.431 193.785 1 116.16 ? 84 C 1
+9455 N NE2 . GLN E 5 84 ? 184.536 146.083 195.665 1 116.16 ? 84 C 1
+9456 N N . ASN E 5 85 ? 186.597 148.661 191.691 1 118.68 ? 85 C 1
+9457 C CA . ASN E 5 85 ? 187.164 149.959 192.059 1 118.68 ? 85 C 1
+9458 C C . ASN E 5 85 ? 186.45 150.501 193.302 1 118.68 ? 85 C 1
+9459 O O . ASN E 5 85 ? 185.736 151.506 193.273 1 118.68 ? 85 C 1
+9460 C CB . ASN E 5 85 ? 187.098 150.946 190.885 1 118.68 ? 85 C 1
+9461 C CG . ASN E 5 85 ? 188.069 150.599 189.768 1 118.68 ? 85 C 1
+9462 O OD1 . ASN E 5 85 ? 189.071 149.917 189.981 1 118.68 ? 85 C 1
+9463 N ND2 . ASN E 5 85 ? 187.77 151.07 188.562 1 118.68 ? 85 C 1
+9464 N N . ILE E 5 86 ? 186.597 149.757 194.402 1 114.24 ? 86 C 1
+9465 C CA . ILE E 5 86 ? 185.856 150.105 195.652 1 114.24 ? 86 C 1
+9466 C C . ILE E 5 86 ? 186.246 151.496 196.158 1 114.24 ? 86 C 1
+9467 O O . ILE E 5 86 ? 187.428 151.869 196.023 1 114.24 ? 86 C 1
+9468 C CB . ILE E 5 86 ? 186.089 149.018 196.722 1 114.24 ? 86 C 1
+9469 C CG1 . ILE E 5 86 ? 185.166 149.194 197.931 1 114.24 ? 86 C 1
+9470 C CG2 . ILE E 5 86 ? 187.553 148.962 197.131 1 114.24 ? 86 C 1
+9471 C CD1 . ILE E 5 86 ? 185.266 148.073 198.935 1 114.24 ? 86 C 1
+9472 N N . ASP E 5 87 ? 185.276 152.221 196.72 1 114.13 ? 87 C 1
+9473 C CA . ASP E 5 87 ? 185.547 153.561 197.301 1 114.13 ? 87 C 1
+9474 C C . ASP E 5 87 ? 185.59 153.415 198.822 1 114.13 ? 87 C 1
+9475 O O . ASP E 5 87 ? 186.429 154.082 199.458 1 114.13 ? 87 C 1
+9476 C CB . ASP E 5 87 ? 184.485 154.57 196.864 1 114.13 ? 87 C 1
+9477 C CG . ASP E 5 87 ? 183.063 154.086 197.096 1 114.13 ? 87 C 1
+9478 O OD1 . ASP E 5 87 ? 182.896 152.906 197.468 1 114.13 ? 87 C 1
+9479 O OD2 . ASP E 5 87 ? 182.132 154.891 196.902 1 114.13 ? 87 C 1
+9480 N N . CYS E 5 88 ? 184.714 152.57 199.376 1 112.37 ? 88 C 1
+9481 C CA . CYS E 5 88 ? 184.688 152.326 200.841 1 112.37 ? 88 C 1
+9482 C C . CYS E 5 88 ? 184.407 150.845 201.093 1 112.37 ? 88 C 1
+9483 O O . CYS E 5 88 ? 183.451 150.318 200.493 1 112.37 ? 88 C 1
+9484 C CB . CYS E 5 88 ? 183.598 153.153 201.506 1 112.37 ? 88 C 1
+9485 S SG . CYS E 5 88 ? 183.479 152.872 203.29 1 112.37 ? 88 C 1
+9486 N N . GLY E 5 89 ? 185.204 150.206 201.95 1 108 ? 89 C 1
+9487 C CA . GLY E 5 89 ? 185.026 148.768 202.217 1 108 ? 89 C 1
+9488 C C . GLY E 5 89 ? 186.242 148.169 202.894 1 108 ? 89 C 1
+9489 O O . GLY E 5 89 ? 187.098 148.941 203.363 1 108 ? 89 C 1
+9490 N N . GLY E 5 90 ? 186.333 146.835 202.93 1 107.25 ? 90 C 1
+9491 C CA . GLY E 5 90 ? 187.479 146.161 203.572 1 107.25 ? 90 C 1
+9492 C C . GLY E 5 90 ? 187.73 144.776 203.001 1 107.25 ? 90 C 1
+9493 O O . GLY E 5 90 ? 186.754 144.136 202.565 1 107.25 ? 90 C 1
+9494 N N . GLY E 5 91 ? 188.986 144.325 203.019 1 110.62 ? 91 C 1
+9495 C CA . GLY E 5 91 ? 189.308 142.954 202.579 1 110.62 ? 91 C 1
+9496 C C . GLY E 5 91 ? 189.915 142.19 203.736 1 110.62 ? 91 C 1
+9497 O O . GLY E 5 91 ? 190.414 141.071 203.514 1 110.62 ? 91 C 1
+9498 N N . TYR E 5 92 ? 189.863 142.776 204.934 1 119.39 ? 92 C 1
+9499 C CA . TYR E 5 92 ? 190.465 142.143 206.134 1 119.39 ? 92 C 1
+9500 C C . TYR E 5 92 ? 189.708 140.864 206.494 1 119.39 ? 92 C 1
+9501 O O . TYR E 5 92 ? 188.529 140.738 206.114 1 119.39 ? 92 C 1
+9502 C CB . TYR E 5 92 ? 190.425 143.115 207.314 1 119.39 ? 92 C 1
+9503 C CG . TYR E 5 92 ? 189.058 143.68 207.601 1 119.39 ? 92 C 1
+9504 C CD1 . TYR E 5 92 ? 188.213 143.078 208.517 1 119.39 ? 92 C 1
+9505 C CD2 . TYR E 5 92 ? 188.603 144.814 206.948 1 119.39 ? 92 C 1
+9506 C CE1 . TYR E 5 92 ? 186.954 143.589 208.784 1 119.39 ? 92 C 1
+9507 C CE2 . TYR E 5 92 ? 187.346 145.338 207.202 1 119.39 ? 92 C 1
+9508 C CZ . TYR E 5 92 ? 186.518 144.723 208.123 1 119.39 ? 92 C 1
+9509 O OH . TYR E 5 92 ? 185.278 145.232 208.38 1 119.39 ? 92 C 1
+9510 N N . VAL E 5 93 ? 190.375 139.944 207.197 1 121.1 ? 93 C 1
+9511 C CA . VAL E 5 93 ? 189.714 138.686 207.658 1 121.1 ? 93 C 1
+9512 C C . VAL E 5 93 ? 189.958 138.565 209.165 1 121.1 ? 93 C 1
+9513 O O . VAL E 5 93 ? 190.847 139.278 209.67 1 121.1 ? 93 C 1
+9514 C CB . VAL E 5 93 ? 190.241 137.454 206.898 1 121.1 ? 93 C 1
+9515 C CG1 . VAL E 5 93 ? 190 137.569 205.401 1 121.1 ? 93 C 1
+9516 C CG2 . VAL E 5 93 ? 191.713 137.201 207.185 1 121.1 ? 93 C 1
+9517 N N . LYS E 5 94 ? 189.203 137.706 209.857 1 126.81 ? 94 C 1
+9518 C CA . LYS E 5 94 ? 189.338 137.622 211.338 1 126.81 ? 94 C 1
+9519 C C . LYS E 5 94 ? 189.472 136.159 211.775 1 126.81 ? 94 C 1
+9520 O O . LYS E 5 94 ? 188.768 135.304 211.202 1 126.81 ? 94 C 1
+9521 C CB . LYS E 5 94 ? 188.148 138.295 212.03 1 126.81 ? 94 C 1
+9522 C CG . LYS E 5 94 ? 187.762 139.662 211.479 1 126.81 ? 94 C 1
+9523 C CD . LYS E 5 94 ? 186.567 140.269 212.181 1 126.81 ? 94 C 1
+9524 C CE . LYS E 5 94 ? 186.198 141.638 211.651 1 126.81 ? 94 C 1
+9525 N NZ . LYS E 5 94 ? 185.011 142.191 212.344 1 126.81 ? 94 C 1
+9526 N N . LEU E 5 95 ? 190.344 135.893 212.753 1 127.56 ? 95 C 1
+9527 C CA . LEU E 5 95 ? 190.521 134.513 213.279 1 127.56 ? 95 C 1
+9528 C C . LEU E 5 95 ? 189.695 134.378 214.56 1 127.56 ? 95 C 1
+9529 O O . LEU E 5 95 ? 189.976 135.123 215.514 1 127.56 ? 95 C 1
+9530 C CB . LEU E 5 95 ? 192.007 134.277 213.561 1 127.56 ? 95 C 1
+9531 C CG . LEU E 5 95 ? 192.945 134.49 212.374 1 127.56 ? 95 C 1
+9532 C CD1 . LEU E 5 95 ? 194.396 134.311 212.792 1 127.56 ? 95 C 1
+9533 C CD2 . LEU E 5 95 ? 192.598 133.545 211.235 1 127.56 ? 95 C 1
+9534 N N . PHE E 5 96 ? 188.718 133.469 214.578 1 125.18 ? 96 C 1
+9535 C CA . PHE E 5 96 ? 187.827 133.332 215.761 1 125.18 ? 96 C 1
+9536 C C . PHE E 5 96 ? 188.125 132.015 216.483 1 125.18 ? 96 C 1
+9537 O O . PHE E 5 96 ? 188.466 131.026 215.807 1 125.18 ? 96 C 1
+9538 C CB . PHE E 5 96 ? 186.36 133.397 215.333 1 125.18 ? 96 C 1
+9539 C CG . PHE E 5 96 ? 185.975 134.653 214.595 1 125.18 ? 96 C 1
+9540 C CD1 . PHE E 5 96 ? 185.467 135.748 215.275 1 125.18 ? 96 C 1
+9541 C CD2 . PHE E 5 96 ? 186.12 134.742 213.22 1 125.18 ? 96 C 1
+9542 C CE1 . PHE E 5 96 ? 185.112 136.903 214.596 1 125.18 ? 96 C 1
+9543 C CE2 . PHE E 5 96 ? 185.765 135.897 212.542 1 125.18 ? 96 C 1
+9544 C CZ . PHE E 5 96 ? 185.261 136.975 213.231 1 125.18 ? 96 C 1
+9545 N N . PRO E 5 97 ? 188.007 131.953 217.829 1 120.99 ? 97 C 1
+9546 C CA . PRO E 5 97 ? 188.202 130.7 218.562 1 120.99 ? 97 C 1
+9547 C C . PRO E 5 97 ? 187.045 129.739 218.318 1 120.99 ? 97 C 1
+9548 O O . PRO E 5 97 ? 186.099 130.025 217.583 1 120.99 ? 97 C 1
+9549 C CB . PRO E 5 97 ? 188.255 131.152 220.024 1 120.99 ? 97 C 1
+9550 C CG . PRO E 5 97 ? 187.439 132.398 220.051 1 120.99 ? 97 C 1
+9551 C CD . PRO E 5 97 ? 187.673 133.074 218.725 1 120.99 ? 97 C 1
+9552 N N . ASN E 5 98 ? 187.142 128.571 218.958 1 110.79 ? 98 C 1
+9553 C CA . ASN E 5 98 ? 186.119 127.545 218.785 1 110.79 ? 98 C 1
+9554 C C . ASN E 5 98 ? 184.769 127.987 219.336 1 110.79 ? 98 C 1
+9555 O O . ASN E 5 98 ? 183.724 127.538 218.852 1 110.79 ? 98 C 1
+9556 C CB . ASN E 5 98 ? 186.563 126.245 219.457 1 110.79 ? 98 C 1
+9557 N N . SER E 5 99 ? 184.768 128.865 220.341 1 110.45 ? 99 C 1
+9558 C CA . SER E 5 99 ? 183.528 129.285 220.982 1 110.45 ? 99 C 1
+9559 C C . SER E 5 99 ? 182.692 130.228 220.126 1 110.45 ? 99 C 1
+9560 O O . SER E 5 99 ? 181.546 130.51 220.491 1 110.45 ? 99 C 1
+9561 C CB . SER E 5 99 ? 183.834 129.954 222.324 1 110.45 ? 99 C 1
+9562 N N . LEU E 5 100 ? 183.227 130.722 219.012 1 107.15 ? 100 C 1
+9563 C CA . LEU E 5 100 ? 182.492 131.658 218.17 1 107.15 ? 100 C 1
+9564 C C . LEU E 5 100 ? 181.314 130.957 217.504 1 107.15 ? 100 C 1
+9565 O O . LEU E 5 100 ? 181.427 129.801 217.082 1 107.15 ? 100 C 1
+9566 C CB . LEU E 5 100 ? 183.419 132.262 217.12 1 107.15 ? 100 C 1
+9567 N N . ASP E 5 101 ? 180.185 131.656 217.41 1 111.54 ? 101 C 1
+9568 C CA . ASP E 5 101 ? 178.986 131.111 216.783 1 111.54 ? 101 C 1
+9569 C C . ASP E 5 101 ? 178.95 131.545 215.323 1 111.54 ? 101 C 1
+9570 O O . ASP E 5 101 ? 178.942 132.743 215.023 1 111.54 ? 101 C 1
+9571 C CB . ASP E 5 101 ? 177.738 131.576 217.528 1 111.54 ? 101 C 1
+9572 C CG . ASP E 5 101 ? 176.502 130.785 217.145 1 111.54 ? 101 C 1
+9573 O OD1 . ASP E 5 101 ? 176.62 129.853 216.322 1 111.54 ? 101 C 1
+9574 O OD2 . ASP E 5 101 ? 175.412 131.096 217.669 1 111.54 ? 101 C 1
+9575 N N . GLN E 5 102 ? 178.928 130.569 214.412 1 108.75 ? 102 C 1
+9576 C CA . GLN E 5 102 ? 178.897 130.884 212.988 1 108.75 ? 102 C 1
+9577 C C . GLN E 5 102 ? 177.589 131.549 212.581 1 108.75 ? 102 C 1
+9578 O O . GLN E 5 102 ? 177.595 132.481 211.769 1 108.75 ? 102 C 1
+9579 C CB . GLN E 5 102 ? 179.124 129.616 212.165 1 108.75 ? 102 C 1
+9580 N N . THR E 5 103 ? 176.463 131.089 213.126 1 110 ? 103 C 1
+9581 C CA . THR E 5 103 ? 175.161 131.632 212.761 1 110 ? 103 C 1
+9582 C C . THR E 5 103 ? 174.845 132.949 213.456 1 110 ? 103 C 1
+9583 O O . THR E 5 103 ? 173.896 133.63 213.052 1 110 ? 103 C 1
+9584 C CB . THR E 5 103 ? 174.06 130.618 213.077 1 110 ? 103 C 1
+9585 O OG1 . THR E 5 103 ? 174.076 130.313 214.477 1 110 ? 103 C 1
+9586 C CG2 . THR E 5 103 ? 174.273 129.338 212.283 1 110 ? 103 C 1
+9587 N N . ASP E 5 104 ? 175.609 133.327 214.483 1 114.29 ? 104 C 1
+9588 C CA . ASP E 5 104 ? 175.346 134.549 215.23 1 114.29 ? 104 C 1
+9589 C C . ASP E 5 104 ? 176.488 135.554 215.139 1 114.29 ? 104 C 1
+9590 O O . ASP E 5 104 ? 176.613 136.41 216.023 1 114.29 ? 104 C 1
+9591 C CB . ASP E 5 104 ? 175.057 134.228 216.701 1 114.29 ? 104 C 1
+9592 N N . MET E 5 105 ? 177.323 135.475 214.103 1 119.22 ? 105 C 1
+9593 C CA . MET E 5 105 ? 178.418 136.422 213.935 1 119.22 ? 105 C 1
+9594 C C . MET E 5 105 ? 177.879 137.819 213.654 1 119.22 ? 105 C 1
+9595 O O . MET E 5 105 ? 177.317 138.071 212.583 1 119.22 ? 105 C 1
+9596 C CB . MET E 5 105 ? 179.351 135.971 212.809 1 119.22 ? 105 C 1
+9597 N N . HIS E 5 106 ? 178.023 138.707 214.638 1 122.41 ? 106 C 1
+9598 C CA . HIS E 5 106 ? 177.541 140.102 214.474 1 122.41 ? 106 C 1
+9599 C C . HIS E 5 106 ? 178.661 140.953 213.875 1 122.41 ? 106 C 1
+9600 O O . HIS E 5 106 ? 179.648 140.37 213.384 1 122.41 ? 106 C 1
+9601 C CB . HIS E 5 106 ? 177.052 140.65 215.819 1 122.41 ? 106 C 1
+9602 C CG . HIS E 5 106 ? 177.945 140.292 216.957 1 122.41 ? 106 C 1
+9603 N ND1 . HIS E 5 106 ? 177.886 139.061 217.582 1 122.41 ? 106 C 1
+9604 C CD2 . HIS E 5 106 ? 178.919 140.988 217.582 1 122.41 ? 106 C 1
+9605 C CE1 . HIS E 5 106 ? 178.784 139.015 218.544 1 122.41 ? 106 C 1
+9606 N NE2 . HIS E 5 106 ? 179.43 140.186 218.566 1 122.41 ? 106 C 1
+9607 N N . GLY E 5 107 ? 178.512 142.277 213.923 1 122.61 ? 107 C 1
+9608 C CA . GLY E 5 107 ? 179.513 143.171 213.363 1 122.61 ? 107 C 1
+9609 C C . GLY E 5 107 ? 180.888 142.986 213.978 1 122.61 ? 107 C 1
+9610 O O . GLY E 5 107 ? 181.9 143.014 213.273 1 122.61 ? 107 C 1
+9611 N N . ASP E 5 108 ? 180.947 142.794 215.307 1 121.28 ? 108 C 1
+9612 C CA . ASP E 5 108 ? 182.211 142.644 216.026 1 121.28 ? 108 C 1
+9613 C C . ASP E 5 108 ? 182.113 141.451 216.986 1 121.28 ? 108 C 1
+9614 O O . ASP E 5 108 ? 181.805 141.585 218.169 1 121.28 ? 108 C 1
+9615 C CB . ASP E 5 108 ? 182.575 143.929 216.774 1 121.28 ? 108 C 1
+9616 N N . SER E 5 109 ? 182.399 140.259 216.468 1 120.58 ? 109 C 1
+9617 C CA . SER E 5 109 ? 182.376 139.056 217.288 1 120.58 ? 109 C 1
+9618 C C . SER E 5 109 ? 183.729 138.838 217.957 1 120.58 ? 109 C 1
+9619 O O . SER E 5 109 ? 184.726 139.472 217.608 1 120.58 ? 109 C 1
+9620 C CB . SER E 5 109 ? 182.005 137.84 216.44 1 120.58 ? 109 C 1
+9621 O OG . SER E 5 109 ? 180.69 137.962 215.929 1 120.58 ? 109 C 1
+9622 N N . GLU E 5 110 ? 183.752 137.938 218.941 1 121.48 ? 110 C 1
+9623 C CA . GLU E 5 110 ? 184.982 137.622 219.66 1 121.48 ? 110 C 1
+9624 C C . GLU E 5 110 ? 185.979 136.919 218.747 1 121.48 ? 110 C 1
+9625 O O . GLU E 5 110 ? 185.764 135.767 218.354 1 121.48 ? 110 C 1
+9626 C CB . GLU E 5 110 ? 184.68 136.76 220.889 1 121.48 ? 110 C 1
+9627 N N . TYR E 5 111 ? 187.051 137.632 218.4 1 126.11 ? 111 C 1
+9628 C CA . TYR E 5 111 ? 188.058 137.055 217.478 1 126.11 ? 111 C 1
+9629 C C . TYR E 5 111 ? 189.447 137.134 218.108 1 126.11 ? 111 C 1
+9630 O O . TYR E 5 111 ? 189.596 137.772 219.169 1 126.11 ? 111 C 1
+9631 C CB . TYR E 5 111 ? 188.052 137.796 216.139 1 126.11 ? 111 C 1
+9632 C CG . TYR E 5 111 ? 188.436 139.25 216.238 1 126.11 ? 111 C 1
+9633 C CD1 . TYR E 5 111 ? 189.759 139.649 216.14 1 126.11 ? 111 C 1
+9634 C CD2 . TYR E 5 111 ? 187.478 140.229 216.444 1 126.11 ? 111 C 1
+9635 C CE1 . TYR E 5 111 ? 190.121 140.982 216.24 1 126.11 ? 111 C 1
+9636 C CE2 . TYR E 5 111 ? 187.823 141.565 216.543 1 126.11 ? 111 C 1
+9637 C CZ . TYR E 5 111 ? 189.149 141.943 216.44 1 126.11 ? 111 C 1
+9638 O OH . TYR E 5 111 ? 189.493 143.26 216.536 1 126.11 ? 111 C 1
+9639 N N . ASN E 5 112 ? 190.428 136.508 217.464 1 127.65 ? 112 C 1
+9640 C CA . ASN E 5 112 ? 191.805 136.522 217.939 1 127.65 ? 112 C 1
+9641 C C . ASN E 5 112 ? 192.675 137.508 217.163 1 127.65 ? 112 C 1
+9642 O O . ASN E 5 112 ? 193.269 138.414 217.757 1 127.65 ? 112 C 1
+9643 C CB . ASN E 5 112 ? 192.396 135.111 217.865 1 127.65 ? 112 C 1
+9644 C CG . ASN E 5 112 ? 191.723 134.149 218.825 1 127.65 ? 112 C 1
+9645 O OD1 . ASN E 5 112 ? 191.111 134.565 219.808 1 127.65 ? 112 C 1
+9646 N ND2 . ASN E 5 112 ? 191.837 132.856 218.547 1 127.65 ? 112 C 1
+9647 N N . ILE E 5 113 ? 192.769 137.321 215.843 1 128.43 ? 113 C 1
+9648 C CA . ILE E 5 113 ? 193.695 138.179 215.045 1 128.43 ? 113 C 1
+9649 C C . ILE E 5 113 ? 192.919 138.631 213.805 1 128.43 ? 113 C 1
+9650 O O . ILE E 5 113 ? 192.206 137.793 213.218 1 128.43 ? 113 C 1
+9651 C CB . ILE E 5 113 ? 194.952 137.38 214.646 1 128.43 ? 113 C 1
+9652 C CG1 . ILE E 5 113 ? 195.746 136.924 215.873 1 128.43 ? 113 C 1
+9653 C CG2 . ILE E 5 113 ? 195.814 138.175 213.678 1 128.43 ? 113 C 1
+9654 C CD1 . ILE E 5 113 ? 196.957 136.084 215.541 1 128.43 ? 113 C 1
+9655 N N . MET E 5 114 ? 193.047 139.891 213.429 1 130.37 ? 114 C 1
+9656 C CA . MET E 5 114 ? 192.437 140.392 212.168 1 130.37 ? 114 C 1
+9657 C C . MET E 5 114 ? 193.601 140.722 211.238 1 130.37 ? 114 C 1
+9658 O O . MET E 5 114 ? 194.554 141.362 211.716 1 130.37 ? 114 C 1
+9659 C CB . MET E 5 114 ? 191.609 141.657 212.406 1 130.37 ? 114 C 1
+9660 C CG . MET E 5 114 ? 191.037 142.277 211.152 1 130.37 ? 114 C 1
+9661 S SD . MET E 5 114 ? 190.037 143.723 211.58 1 130.37 ? 114 C 1
+9662 C CE . MET E 5 114 ? 190.584 144.889 210.336 1 130.37 ? 114 C 1
+9663 N N . PHE E 5 115 ? 193.54 140.276 209.981 1 125.33 ? 115 C 1
+9664 C CA . PHE E 5 115 ? 194.615 140.592 209.006 1 125.33 ? 115 C 1
+9665 C C . PHE E 5 115 ? 194.009 140.825 207.621 1 125.33 ? 115 C 1
+9666 O O . PHE E 5 115 ? 193.226 139.974 207.158 1 125.33 ? 115 C 1
+9667 C CB . PHE E 5 115 ? 195.661 139.475 208.961 1 125.33 ? 115 C 1
+9668 C CG . PHE E 5 115 ? 196.691 139.654 207.875 1 125.33 ? 115 C 1
+9669 C CD1 . PHE E 5 115 ? 197.716 140.576 208.015 1 125.33 ? 115 C 1
+9670 C CD2 . PHE E 5 115 ? 196.626 138.914 206.705 1 125.33 ? 115 C 1
+9671 C CE1 . PHE E 5 115 ? 198.658 140.747 207.013 1 125.33 ? 115 C 1
+9672 C CE2 . PHE E 5 115 ? 197.568 139.086 205.704 1 125.33 ? 115 C 1
+9673 C CZ . PHE E 5 115 ? 198.58 140.004 205.859 1 125.33 ? 115 C 1
+9674 N N . GLY E 5 116 ? 194.372 141.941 206.984 1 117.3 ? 116 C 1
+9675 C CA . GLY E 5 116 ? 193.862 142.239 205.633 1 117.3 ? 116 C 1
+9676 C C . GLY E 5 116 ? 193.683 143.729 205.408 1 117.3 ? 116 C 1
+9677 O O . GLY E 5 116 ? 193.738 144.492 206.394 1 117.3 ? 116 C 1
+9678 N N . PRO E 5 117 ? 193.466 144.18 204.154 1 115.63 ? 117 C 1
+9679 C CA . PRO E 5 117 ? 193.241 145.596 203.851 1 115.63 ? 117 C 1
+9680 C C . PRO E 5 117 ? 191.889 146.086 204.348 1 115.63 ? 117 C 1
+9681 O O . PRO E 5 117 ? 190.959 145.309 204.574 1 115.63 ? 117 C 1
+9682 C CB . PRO E 5 117 ? 193.316 145.641 202.322 1 115.63 ? 117 C 1
+9683 C CG . PRO E 5 117 ? 192.854 144.29 201.907 1 115.63 ? 117 C 1
+9684 C CD . PRO E 5 117 ? 193.396 143.342 202.945 1 115.63 ? 117 C 1
+9685 N N . ASP E 5 118 ? 191.797 147.404 204.513 1 117.78 ? 118 C 1
+9686 C CA . ASP E 5 118 ? 190.552 148.075 204.877 1 117.78 ? 118 C 1
+9687 C C . ASP E 5 118 ? 190.575 149.447 204.225 1 117.78 ? 118 C 1
+9688 O O . ASP E 5 118 ? 191.246 150.355 204.726 1 117.78 ? 118 C 1
+9689 C CB . ASP E 5 118 ? 190.333 148.048 206.392 1 117.78 ? 118 C 1
+9690 C CG . ASP E 5 118 ? 189.003 148.65 206.804 1 117.78 ? 118 C 1
+9691 O OD1 . ASP E 5 118 ? 188.236 149.074 205.915 1 117.78 ? 118 C 1
+9692 O OD2 . ASP E 5 118 ? 188.722 148.697 208.021 1 117.78 ? 118 C 1
+9693 N N . ILE E 5 119 ? 189.827 149.632 203.131 1 115.31 ? 119 C 1
+9694 C CA . ILE E 5 119 ? 189.902 150.934 202.395 1 115.31 ? 119 C 1
+9695 C C . ILE E 5 119 ? 188.531 151.622 202.364 1 115.31 ? 119 C 1
+9696 O O . ILE E 5 119 ? 187.592 151.027 201.803 1 115.31 ? 119 C 1
+9697 C CB . ILE E 5 119 ? 190.455 150.729 200.97 1 115.31 ? 119 C 1
+9698 C CG1 . ILE E 5 119 ? 191.914 150.267 200.987 1 115.31 ? 119 C 1
+9699 C CG2 . ILE E 5 119 ? 190.276 151.989 200.138 1 115.31 ? 119 C 1
+9700 C CD1 . ILE E 5 119 ? 192.424 149.8 199.643 1 115.31 ? 119 C 1
+9701 N N . CYS E 5 120 ? 188.433 152.839 202.912 1 120.76 ? 120 C 1
+9702 C CA . CYS E 5 120 ? 187.161 153.614 202.857 1 120.76 ? 120 C 1
+9703 C C . CYS E 5 120 ? 187.479 155.097 202.63 1 120.76 ? 120 C 1
+9704 O O . CYS E 5 120 ? 187.403 155.87 203.606 1 120.76 ? 120 C 1
+9705 C CB . CYS E 5 120 ? 186.35 153.445 204.137 1 120.76 ? 120 C 1
+9706 S SG . CYS E 5 120 ? 184.734 154.265 204.082 1 120.76 ? 120 C 1
+9707 N N . GLY E 5 121 ? 187.826 155.473 201.396 1 112.34 ? 121 C 1
+9708 C CA . GLY E 5 121 ? 188.152 156.872 201.058 1 112.34 ? 121 C 1
+9709 C C . GLY E 5 121 ? 189.649 157.059 200.879 1 112.34 ? 121 C 1
+9710 O O . GLY E 5 121 ? 190.406 156.138 201.246 1 112.34 ? 121 C 1
+9711 N N . PRO E 5 122 ? 190.133 158.202 200.338 1 100.93 ? 122 C 1
+9712 C CA . PRO E 5 122 ? 191.563 158.378 200.073 1 100.93 ? 122 C 1
+9713 C C . PRO E 5 122 ? 192.373 158.399 201.376 1 100.93 ? 122 C 1
+9714 O O . PRO E 5 122 ? 193.437 157.808 201.404 1 100.93 ? 122 C 1
+9715 C CB . PRO E 5 122 ? 191.647 159.748 199.382 1 100.93 ? 122 C 1
+9716 C CG . PRO E 5 122 ? 190.406 160.474 199.848 1 100.93 ? 122 C 1
+9717 C CD . PRO E 5 122 ? 189.356 159.391 199.965 1 100.93 ? 122 C 1
+9718 N N . GLY E 5 123 ? 191.855 159.064 202.414 1 114.17 ? 123 C 1
+9719 C CA . GLY E 5 123 ? 192.608 159.184 203.678 1 114.17 ? 123 C 1
+9720 C C . GLY E 5 123 ? 192.972 157.827 204.254 1 114.17 ? 123 C 1
+9721 O O . GLY E 5 123 ? 194.137 157.654 204.66 1 114.17 ? 123 C 1
+9722 N N . THR E 5 124 ? 192.013 156.897 204.286 1 118.54 ? 124 C 1
+9723 C CA . THR E 5 124 ? 192.265 155.541 204.842 1 118.54 ? 124 C 1
+9724 C C . THR E 5 124 ? 192.635 154.583 203.707 1 118.54 ? 124 C 1
+9725 O O . THR E 5 124 ? 191.736 154.241 202.913 1 118.54 ? 124 C 1
+9726 C CB . THR E 5 124 ? 191.045 155.025 205.615 1 118.54 ? 124 C 1
+9727 O OG1 . THR E 5 124 ? 190.812 155.909 206.712 1 118.54 ? 124 C 1
+9728 C CG2 . THR E 5 124 ? 191.227 153.611 206.124 1 118.54 ? 124 C 1
+9729 N N . LYS E 5 125 ? 193.904 154.167 203.636 1 115.91 ? 125 C 1
+9730 C CA . LYS E 5 125 ? 194.303 153.213 202.611 1 115.91 ? 125 C 1
+9731 C C . LYS E 5 125 ? 195.291 152.216 203.199 1 115.91 ? 125 C 1
+9732 O O . LYS E 5 125 ? 196.31 151.902 202.577 1 115.91 ? 125 C 1
+9733 C CB . LYS E 5 125 ? 194.921 153.945 201.417 1 115.91 ? 125 C 1
+9734 C CG . LYS E 5 125 ? 194.756 153.234 200.089 1 115.91 ? 125 C 1
+9735 C CD . LYS E 5 125 ? 195.194 154.116 198.936 1 115.91 ? 125 C 1
+9736 C CE . LYS E 5 125 ? 194.442 155.431 198.947 1 115.91 ? 125 C 1
+9737 N NZ . LYS E 5 125 ? 192.973 155.219 198.82 1 115.91 ? 125 C 1
+9738 N N . LYS E 5 126 ? 195.054 151.838 204.457 1 112.49 ? 126 C 1
+9739 C CA . LYS E 5 126 ? 196.096 151.036 205.144 1 112.49 ? 126 C 1
+9740 C C . LYS E 5 126 ? 195.631 149.655 205.592 1 112.49 ? 126 C 1
+9741 O O . LYS E 5 126 ? 194.425 149.483 205.862 1 112.49 ? 126 C 1
+9742 C CB . LYS E 5 126 ? 196.597 151.809 206.37 1 112.49 ? 126 C 1
+9743 C CG . LYS E 5 126 ? 197.193 150.949 207.475 1 112.49 ? 126 C 1
+9744 C CD . LYS E 5 126 ? 197.034 151.518 208.863 1 112.49 ? 126 C 1
+9745 C CE . LYS E 5 126 ? 197.432 150.522 209.931 1 112.49 ? 126 C 1
+9746 N NZ . LYS E 5 126 ? 198.58 149.691 209.494 1 112.49 ? 126 C 1
+9747 N N . VAL E 5 127 ? 196.574 148.72 205.663 1 113.91 ? 127 C 1
+9748 C CA . VAL E 5 127 ? 196.321 147.372 206.158 1 113.91 ? 127 C 1
+9749 C C . VAL E 5 127 ? 195.992 147.456 207.641 1 113.91 ? 127 C 1
+9750 O O . VAL E 5 127 ? 196.77 147.997 208.435 1 113.91 ? 127 C 1
+9751 C CB . VAL E 5 127 ? 197.527 146.456 205.92 1 113.91 ? 127 C 1
+9752 C CG1 . VAL E 5 127 ? 197.287 145.1 206.564 1 113.91 ? 127 C 1
+9753 C CG2 . VAL E 5 127 ? 197.8 146.3 204.439 1 113.91 ? 127 C 1
+9754 N N . HIS E 5 128 ? 194.838 146.921 208.023 1 120.03 ? 128 C 1
+9755 C CA . HIS E 5 128 ? 194.425 146.895 209.421 1 120.03 ? 128 C 1
+9756 C C . HIS E 5 128 ? 194.704 145.508 209.987 1 120.03 ? 128 C 1
+9757 O O . HIS E 5 128 ? 194.015 144.54 209.649 1 120.03 ? 128 C 1
+9758 C CB . HIS E 5 128 ? 192.95 147.261 209.556 1 120.03 ? 128 C 1
+9759 C CG . HIS E 5 128 ? 192.707 148.728 209.723 1 120.03 ? 128 C 1
+9760 N ND1 . HIS E 5 128 ? 192.099 149.259 210.84 1 120.03 ? 128 C 1
+9761 C CD2 . HIS E 5 128 ? 192.992 149.776 208.915 1 120.03 ? 128 C 1
+9762 C CE1 . HIS E 5 128 ? 192.02 150.572 210.713 1 120.03 ? 128 C 1
+9763 N NE2 . HIS E 5 128 ? 192.554 150.911 209.553 1 120.03 ? 128 C 1
+9764 N N . VAL E 5 129 ? 195.715 145.411 210.845 1 123.54 ? 129 C 1
+9765 C CA . VAL E 5 129 ? 196.036 144.176 211.549 1 123.54 ? 129 C 1
+9766 C C . VAL E 5 129 ? 195.828 144.419 213.04 1 123.54 ? 129 C 1
+9767 O O . VAL E 5 129 ? 196.458 145.302 213.636 1 123.54 ? 129 C 1
+9768 C CB . VAL E 5 129 ? 197.459 143.686 211.22 1 123.54 ? 129 C 1
+9769 C CG1 . VAL E 5 129 ? 198.528 144.692 211.643 1 123.54 ? 129 C 1
+9770 C CG2 . VAL E 5 129 ? 197.712 142.334 211.859 1 123.54 ? 129 C 1
+9771 N N . ILE E 5 130 ? 194.859 143.688 213.6 1 126.96 ? 130 C 1
+9772 C CA . ILE E 5 130 ? 194.502 143.905 215.03 1 126.96 ? 130 C 1
+9773 C C . ILE E 5 130 ? 194.589 142.582 215.788 1 126.96 ? 130 C 1
+9774 O O . ILE E 5 130 ? 194.167 141.549 215.233 1 126.96 ? 130 C 1
+9775 C CB . ILE E 5 130 ? 193.104 144.544 215.154 1 126.96 ? 130 C 1
+9776 C CG1 . ILE E 5 130 ? 193.031 145.877 214.406 1 126.96 ? 130 C 1
+9777 C CG2 . ILE E 5 130 ? 192.702 144.693 216.613 1 126.96 ? 130 C 1
+9778 C CD1 . ILE E 5 130 ? 191.982 146.822 214.937 1 126.96 ? 130 C 1
+9779 N N . PHE E 5 131 ? 195.119 142.627 217.006 1 128.99 ? 131 C 1
+9780 C CA . PHE E 5 131 ? 195.251 141.452 217.857 1 128.99 ? 131 C 1
+9781 C C . PHE E 5 131 ? 194.488 141.617 219.161 1 128.99 ? 131 C 1
+9782 O O . PHE E 5 131 ? 194.329 142.731 219.667 1 128.99 ? 131 C 1
+9783 C CB . PHE E 5 131 ? 196.718 141.148 218.183 1 128.99 ? 131 C 1
+9784 C CG . PHE E 5 131 ? 197.547 140.792 216.987 1 128.99 ? 131 C 1
+9785 C CD1 . PHE E 5 131 ? 197.548 139.499 216.493 1 128.99 ? 131 C 1
+9786 C CD2 . PHE E 5 131 ? 198.345 141.739 216.376 1 128.99 ? 131 C 1
+9787 C CE1 . PHE E 5 131 ? 198.316 139.162 215.399 1 128.99 ? 131 C 1
+9788 C CE2 . PHE E 5 131 ? 199.115 141.406 215.284 1 128.99 ? 131 C 1
+9789 C CZ . PHE E 5 131 ? 199.103 140.118 214.795 1 128.99 ? 131 C 1
+9790 N N . ASN E 5 132 ? 194.024 140.493 219.699 1 134.18 ? 132 C 1
+9791 C CA . ASN E 5 132 ? 193.312 140.466 220.968 1 134.18 ? 132 C 1
+9792 C C . ASN E 5 132 ? 194.275 140.063 222.078 1 134.18 ? 132 C 1
+9793 O O . ASN E 5 132 ? 194.994 139.066 221.954 1 134.18 ? 132 C 1
+9794 C CB . ASN E 5 132 ? 192.125 139.504 220.923 1 134.18 ? 132 C 1
+9795 C CG . ASN E 5 132 ? 191.198 139.664 222.112 1 134.18 ? 132 C 1
+9796 O OD1 . ASN E 5 132 ? 191.054 140.758 222.657 1 134.18 ? 132 C 1
+9797 N ND2 . ASN E 5 132 ? 190.567 138.569 222.521 1 134.18 ? 132 C 1
+9798 N N . TYR E 5 133 ? 194.287 140.841 223.157 1 128.66 ? 133 C 1
+9799 C CA . TYR E 5 133 ? 195.122 140.542 224.311 1 128.66 ? 133 C 1
+9800 C C . TYR E 5 133 ? 194.507 141.186 225.542 1 128.66 ? 133 C 1
+9801 O O . TYR E 5 133 ? 194.255 142.394 225.552 1 128.66 ? 133 C 1
+9802 C CB . TYR E 5 133 ? 196.558 141.043 224.112 1 128.66 ? 133 C 1
+9803 C CG . TYR E 5 133 ? 197.535 140.492 225.125 1 128.66 ? 133 C 1
+9804 C CD1 . TYR E 5 133 ? 198.391 141.333 225.824 1 128.66 ? 133 C 1
+9805 C CD2 . TYR E 5 133 ? 197.594 139.13 225.391 1 128.66 ? 133 C 1
+9806 C CE1 . TYR E 5 133 ? 199.283 140.833 226.754 1 128.66 ? 133 C 1
+9807 C CE2 . TYR E 5 133 ? 198.482 138.62 226.319 1 128.66 ? 133 C 1
+9808 C CZ . TYR E 5 133 ? 199.324 139.476 226.997 1 128.66 ? 133 C 1
+9809 O OH . TYR E 5 133 ? 200.209 138.972 227.922 1 128.66 ? 133 C 1
+9810 N N . LYS E 5 134 ? 194.271 140.372 226.572 1 124.28 ? 134 C 1
+9811 C CA . LYS E 5 134 ? 193.677 140.81 227.833 1 124.28 ? 134 C 1
+9812 C C . LYS E 5 134 ? 192.326 141.488 227.632 1 124.28 ? 134 C 1
+9813 O O . LYS E 5 134 ? 191.982 142.422 228.363 1 124.28 ? 134 C 1
+9814 C CB . LYS E 5 134 ? 194.624 141.739 228.601 1 124.28 ? 134 C 1
+9815 N N . GLY E 5 135 ? 191.573 141.019 226.631 1 129.26 ? 135 C 1
+9816 C CA . GLY E 5 135 ? 190.254 141.612 226.333 1 129.26 ? 135 C 1
+9817 C C . GLY E 5 135 ? 190.393 142.977 225.683 1 129.26 ? 135 C 1
+9818 O O . GLY E 5 135 ? 189.692 143.91 226.121 1 129.26 ? 135 C 1
+9819 N N . LYS E 5 136 ? 191.268 143.092 224.678 1 130.03 ? 136 C 1
+9820 C CA . LYS E 5 136 ? 191.502 144.401 224.01 1 130.03 ? 136 C 1
+9821 C C . LYS E 5 136 ? 191.876 144.18 222.541 1 130.03 ? 136 C 1
+9822 O O . LYS E 5 136 ? 192.683 143.269 222.271 1 130.03 ? 136 C 1
+9823 C CB . LYS E 5 136 ? 192.606 145.175 224.737 1 130.03 ? 136 C 1
+9824 N N . ASN E 5 137 ? 191.326 144.987 221.629 1 130.1 ? 137 C 1
+9825 C CA . ASN E 5 137 ? 191.727 144.897 220.198 1 130.1 ? 137 C 1
+9826 C C . ASN E 5 137 ? 192.862 145.898 219.968 1 130.1 ? 137 C 1
+9827 O O . ASN E 5 137 ? 192.608 147.11 220.114 1 130.1 ? 137 C 1
+9828 C CB . ASN E 5 137 ? 190.538 145.117 219.26 1 130.1 ? 137 C 1
+9829 C CG . ASN E 5 137 ? 189.564 143.959 219.275 1 130.1 ? 137 C 1
+9830 O OD1 . ASN E 5 137 ? 189.927 142.838 219.623 1 130.1 ? 137 C 1
+9831 N ND2 . ASN E 5 137 ? 188.323 144.218 218.893 1 130.1 ? 137 C 1
+9832 N N . VAL E 5 138 ? 194.063 145.419 219.628 1 130.64 ? 138 C 1
+9833 C CA . VAL E 5 138 ? 195.234 146.34 219.509 1 130.64 ? 138 C 1
+9834 C C . VAL E 5 138 ? 195.65 146.49 218.043 1 130.64 ? 138 C 1
+9835 O O . VAL E 5 138 ? 195.97 145.462 217.416 1 130.64 ? 138 C 1
+9836 C CB . VAL E 5 138 ? 196.415 145.845 220.367 1 130.64 ? 138 C 1
+9837 C CG1 . VAL E 5 138 ? 197.609 146.783 220.279 1 130.64 ? 138 C 1
+9838 C CG2 . VAL E 5 138 ? 196.007 145.63 221.816 1 130.64 ? 138 C 1
+9839 N N . LEU E 5 139 ? 195.651 147.723 217.524 1 123.77 ? 139 C 1
+9840 C CA . LEU E 5 139 ? 196.124 147.96 216.17 1 123.77 ? 139 C 1
+9841 C C . LEU E 5 139 ? 197.63 148.221 216.165 1 123.77 ? 139 C 1
+9842 O O . LEU E 5 139 ? 198.242 148.505 217.198 1 123.77 ? 139 C 1
+9843 C CB . LEU E 5 139 ? 195.385 149.155 215.559 1 123.77 ? 139 C 1
+9844 C CG . LEU E 5 139 ? 195.398 149.42 214.05 1 123.77 ? 139 C 1
+9845 C CD1 . LEU E 5 139 ? 195.2 148.147 213.253 1 123.77 ? 139 C 1
+9846 C CD2 . LEU E 5 139 ? 194.342 150.452 213.684 1 123.77 ? 139 C 1
+9847 N N . ILE E 5 140 ? 198.223 148.132 214.977 1 120.65 ? 140 C 1
+9848 C CA . ILE E 5 140 ? 199.646 148.404 214.806 1 120.65 ? 140 C 1
+9849 C C . ILE E 5 140 ? 199.864 149.908 214.706 1 120.65 ? 140 C 1
+9850 O O . ILE E 5 140 ? 199.018 150.644 214.183 1 120.65 ? 140 C 1
+9851 C CB . ILE E 5 140 ? 200.192 147.673 213.565 1 120.65 ? 140 C 1
+9852 C CG1 . ILE E 5 140 ? 201.713 147.827 213.47 1 120.65 ? 140 C 1
+9853 C CG2 . ILE E 5 140 ? 199.521 148.182 212.296 1 120.65 ? 140 C 1
+9854 C CD1 . ILE E 5 140 ? 202.356 146.94 212.429 1 120.65 ? 140 C 1
+9855 N N . ASN E 5 141 ? 201.002 150.372 215.222 1 115.98 ? 141 C 1
+9856 C CA . ASN E 5 141 ? 201.364 151.779 215.123 1 115.98 ? 141 C 1
+9857 C C . ASN E 5 141 ? 201.994 152.137 213.783 1 115.98 ? 141 C 1
+9858 O O . ASN E 5 141 ? 202.137 153.328 213.484 1 115.98 ? 141 C 1
+9859 C CB . ASN E 5 141 ? 202.322 152.156 216.256 1 115.98 ? 141 C 1
+9860 C CG . ASN E 5 141 ? 201.687 152.018 217.626 1 115.98 ? 141 C 1
+9861 O OD1 . ASN E 5 141 ? 202.097 151.183 218.433 1 115.98 ? 141 C 1
+9862 N ND2 . ASN E 5 141 ? 200.681 152.841 217.897 1 115.98 ? 141 C 1
+9863 N N . LYS E 5 142 ? 202.372 151.149 212.977 1 118.89 ? 142 C 1
+9864 C CA . LYS E 5 142 ? 202.978 151.413 211.681 1 118.89 ? 142 C 1
+9865 C C . LYS E 5 142 ? 201.909 151.553 210.602 1 118.89 ? 142 C 1
+9866 O O . LYS E 5 142 ? 200.83 150.96 210.682 1 118.89 ? 142 C 1
+9867 C CB . LYS E 5 142 ? 203.962 150.301 211.314 1 118.89 ? 142 C 1
+9868 C CG . LYS E 5 142 ? 205.323 150.441 211.983 1 118.89 ? 142 C 1
+9869 C CD . LYS E 5 142 ? 206.085 149.127 211.977 1 118.89 ? 142 C 1
+9870 C CE . LYS E 5 142 ? 207.544 149.33 212.357 1 118.89 ? 142 C 1
+9871 N NZ . LYS E 5 142 ? 208.319 148.06 212.288 1 118.89 ? 142 C 1
+9872 N N . ASP E 5 143 ? 202.224 152.352 209.586 1 117.45 ? 143 C 1
+9873 C CA . ASP E 5 143 ? 201.288 152.711 208.523 1 117.45 ? 143 C 1
+9874 C C . ASP E 5 143 ? 201.585 151.848 207.299 1 117.45 ? 143 C 1
+9875 O O . ASP E 5 143 ? 202.387 152.208 206.436 1 117.45 ? 143 C 1
+9876 C CB . ASP E 5 143 ? 201.396 154.205 208.208 1 117.45 ? 143 C 1
+9877 C CG . ASP E 5 143 ? 200.38 154.658 207.179 1 117.45 ? 143 C 1
+9878 O OD1 . ASP E 5 143 ? 199.578 153.815 206.723 1 117.45 ? 143 C 1
+9879 O OD2 . ASP E 5 143 ? 200.381 155.856 206.828 1 117.45 ? 143 C 1
+9880 N N . ILE E 5 144 ? 200.924 150.695 207.227 1 119.34 ? 144 C 1
+9881 C CA . ILE E 5 144 ? 201.144 149.748 206.136 1 119.34 ? 144 C 1
+9882 C C . ILE E 5 144 ? 200.151 150.056 205.018 1 119.34 ? 144 C 1
+9883 O O . ILE E 5 144 ? 198.936 149.99 205.217 1 119.34 ? 144 C 1
+9884 C CB . ILE E 5 144 ? 201.012 148.299 206.615 1 119.34 ? 144 C 1
+9885 C CG1 . ILE E 5 144 ? 202.048 148.006 207.702 1 119.34 ? 144 C 1
+9886 C CG2 . ILE E 5 144 ? 201.193 147.34 205.452 1 119.34 ? 144 C 1
+9887 C CD1 . ILE E 5 144 ? 201.809 146.706 208.437 1 119.34 ? 144 C 1
+9888 N N . ARG E 5 145 ? 200.669 150.381 203.837 1 122.04 ? 145 C 1
+9889 C CA . ARG E 5 145 ? 199.83 150.786 202.716 1 122.04 ? 145 C 1
+9890 C C . ARG E 5 145 ? 199.372 149.552 201.943 1 122.04 ? 145 C 1
+9891 O O . ARG E 5 145 ? 200.176 148.666 201.633 1 122.04 ? 145 C 1
+9892 C CB . ARG E 5 145 ? 200.626 151.743 201.827 1 122.04 ? 145 C 1
+9893 C CG . ARG E 5 145 ? 199.941 152.415 200.632 1 122.04 ? 145 C 1
+9894 C CD . ARG E 5 145 ? 200.877 153.301 199.818 1 122.04 ? 145 C 1
+9895 N NE . ARG E 5 145 ? 201.349 154.446 200.59 1 122.04 ? 145 C 1
+9896 C CZ . ARG E 5 145 ? 200.699 155.59 200.746 1 122.04 ? 145 C 1
+9897 N NH1 . ARG E 5 145 ? 199.501 155.782 200.223 1 122.04 ? 145 C 1
+9898 N NH2 . ARG E 5 145 ? 201.258 156.561 201.463 1 122.04 ? 145 C 1
+9899 N N . CYS E 5 146 ? 198.08 149.491 201.633 1 122.72 ? 146 C 1
+9900 C CA . CYS E 5 146 ? 197.491 148.353 200.94 1 122.72 ? 146 C 1
+9901 C C . CYS E 5 146 ? 197.097 148.753 199.527 1 122.72 ? 146 C 1
+9902 O O . CYS E 5 146 ? 196.546 149.836 199.312 1 122.72 ? 146 C 1
+9903 C CB . CYS E 5 146 ? 196.259 147.829 201.682 1 122.72 ? 146 C 1
+9904 S SG . CYS E 5 146 ? 194.953 149.055 201.925 1 122.72 ? 146 C 1
+9905 N N . LYS E 5 147 ? 197.354 147.861 198.572 1 123.18 ? 147 C 1
+9906 C CA . LYS E 5 147 ? 197.121 148.177 197.17 1 123.18 ? 147 C 1
+9907 C C . LYS E 5 147 ? 195.642 148.451 196.919 1 123.18 ? 147 C 1
+9908 O O . LYS E 5 147 ? 194.759 147.842 197.532 1 123.18 ? 147 C 1
+9909 C CB . LYS E 5 147 ? 197.609 147.035 196.283 1 123.18 ? 147 C 1
+9910 C CG . LYS E 5 147 ? 199.096 146.759 196.413 1 123.18 ? 147 C 1
+9911 C CD . LYS E 5 147 ? 199.924 147.939 195.942 1 123.18 ? 147 C 1
+9912 C CE . LYS E 5 147 ? 201.408 147.621 196.008 1 123.18 ? 147 C 1
+9913 N NZ . LYS E 5 147 ? 202.231 148.781 195.571 1 123.18 ? 147 C 1
+9914 N N . ASP E 5 148 ? 195.376 149.387 196.005 1 122.41 ? 148 C 1
+9915 C CA . ASP E 5 148 ? 194.028 149.884 195.77 1 122.41 ? 148 C 1
+9916 C C . ASP E 5 148 ? 193.501 149.653 194.363 1 122.41 ? 148 C 1
+9917 O O . ASP E 5 148 ? 192.299 149.837 194.142 1 122.41 ? 148 C 1
+9918 C CB . ASP E 5 148 ? 193.959 151.389 196.072 1 122.41 ? 148 C 1
+9919 C CG . ASP E 5 148 ? 194.945 152.191 195.251 1 122.41 ? 148 C 1
+9920 O OD1 . ASP E 5 148 ? 195.957 151.614 194.803 1 122.41 ? 148 C 1
+9921 O OD2 . ASP E 5 148 ? 194.706 153.403 195.06 1 122.41 ? 148 C 1
+9922 N N . ASP E 5 149 ? 194.346 149.265 193.413 1 124.22 ? 149 C 1
+9923 C CA . ASP E 5 149 ? 193.875 149.06 192.054 1 124.22 ? 149 C 1
+9924 C C . ASP E 5 149 ? 193.054 147.776 191.955 1 124.22 ? 149 C 1
+9925 O O . ASP E 5 149 ? 193.06 146.925 192.851 1 124.22 ? 149 C 1
+9926 C CB . ASP E 5 149 ? 195.05 149.035 191.074 1 124.22 ? 149 C 1
+9927 C CG . ASP E 5 149 ? 195.976 147.859 191.299 1 124.22 ? 149 C 1
+9928 O OD1 . ASP E 5 149 ? 195.627 146.968 192.098 1 124.22 ? 149 C 1
+9929 O OD2 . ASP E 5 149 ? 197.06 147.828 190.679 1 124.22 ? 149 C 1
+9930 N N . GLU E 5 150 ? 192.335 147.649 190.838 1 121.3 ? 150 C 1
+9931 C CA . GLU E 5 150 ? 191.365 146.575 190.656 1 121.3 ? 150 C 1
+9932 C C . GLU E 5 150 ? 192 145.194 190.566 1 121.3 ? 150 C 1
+9933 O O . GLU E 5 150 ? 191.283 144.197 190.698 1 121.3 ? 150 C 1
+9934 C CB . GLU E 5 150 ? 190.536 146.841 189.398 1 121.3 ? 150 C 1
+9935 C CG . GLU E 5 150 ? 191.342 146.832 188.112 1 121.3 ? 150 C 1
+9936 C CD . GLU E 5 150 ? 191.963 148.179 187.806 1 121.3 ? 150 C 1
+9937 O OE1 . GLU E 5 150 ? 191.597 149.169 188.474 1 121.3 ? 150 C 1
+9938 O OE2 . GLU E 5 150 ? 192.819 148.246 186.9 1 121.3 ? 150 C 1
+9939 N N . PHE E 5 151 ? 193.308 145.106 190.348 1 122.9 ? 151 C 1
+9940 C CA . PHE E 5 151 ? 193.957 143.815 190.192 1 122.9 ? 151 C 1
+9941 C C . PHE E 5 151 ? 193.996 143.06 191.519 1 122.9 ? 151 C 1
+9942 O O . PHE E 5 151 ? 193.935 143.646 192.603 1 122.9 ? 151 C 1
+9943 C CB . PHE E 5 151 ? 195.375 143.989 189.648 1 122.9 ? 151 C 1
+9944 C CG . PHE E 5 151 ? 195.429 144.645 188.298 1 122.9 ? 151 C 1
+9945 C CD1 . PHE E 5 151 ? 195.232 143.903 187.146 1 122.9 ? 151 C 1
+9946 C CD2 . PHE E 5 151 ? 195.675 146.002 188.182 1 122.9 ? 151 C 1
+9947 C CE1 . PHE E 5 151 ? 195.279 144.503 185.903 1 122.9 ? 151 C 1
+9948 C CE2 . PHE E 5 151 ? 195.723 146.608 186.942 1 122.9 ? 151 C 1
+9949 C CZ . PHE E 5 151 ? 195.524 145.857 185.8 1 122.9 ? 151 C 1
+9950 N N . THR E 5 152 ? 194.086 141.736 191.416 1 121.92 ? 152 C 1
+9951 C CA . THR E 5 152 ? 194.2 140.901 192.604 1 121.92 ? 152 C 1
+9952 C C . THR E 5 152 ? 195.536 141.15 193.293 1 121.92 ? 152 C 1
+9953 O O . THR E 5 152 ? 196.574 141.287 192.64 1 121.92 ? 152 C 1
+9954 C CB . THR E 5 152 ? 194.063 139.424 192.226 1 121.92 ? 152 C 1
+9955 O OG1 . THR E 5 152 ? 192.818 139.215 191.547 1 121.92 ? 152 C 1
+9956 C CG2 . THR E 5 152 ? 194.101 138.543 193.466 1 121.92 ? 152 C 1
+9957 N N . HIS E 5 153 ? 195.476 141.286 194.622 1 124.09 ? 153 C 1
+9958 C CA . HIS E 5 153 ? 196.706 141.574 195.404 1 124.09 ? 153 C 1
+9959 C C . HIS E 5 153 ? 196.828 140.587 196.565 1 124.09 ? 153 C 1
+9960 O O . HIS E 5 153 ? 195.865 140.471 197.35 1 124.09 ? 153 C 1
+9961 C CB . HIS E 5 153 ? 196.726 143.04 195.859 1 124.09 ? 153 C 1
+9962 C CG . HIS E 5 153 ? 197.226 143.964 194.801 1 124.09 ? 153 C 1
+9963 N ND1 . HIS E 5 153 ? 198.574 144.143 194.56 1 124.09 ? 153 C 1
+9964 C CD2 . HIS E 5 153 ? 196.575 144.745 193.913 1 124.09 ? 153 C 1
+9965 C CE1 . HIS E 5 153 ? 198.732 145.002 193.573 1 124.09 ? 153 C 1
+9966 N NE2 . HIS E 5 153 ? 197.521 145.386 193.16 1 124.09 ? 153 C 1
+9967 N N . LEU E 5 154 ? 197.969 139.907 196.658 1 125.1 ? 154 C 1
+9968 C CA . LEU E 5 154 ? 198.213 138.928 197.708 1 125.1 ? 154 C 1
+9969 C C . LEU E 5 154 ? 198.541 139.614 199.028 1 125.1 ? 154 C 1
+9970 O O . LEU E 5 154 ? 199.179 140.671 199.05 1 125.1 ? 154 C 1
+9971 C CB . LEU E 5 154 ? 199.353 138.001 197.288 1 125.1 ? 154 C 1
+9972 C CG . LEU E 5 154 ? 199.77 136.942 198.303 1 125.1 ? 154 C 1
+9973 C CD1 . LEU E 5 154 ? 198.576 136.087 198.632 1 125.1 ? 154 C 1
+9974 C CD2 . LEU E 5 154 ? 200.913 136.101 197.757 1 125.1 ? 154 C 1
+9975 N N . TYR E 5 155 ? 198.101 139.01 200.132 1 122.23 ? 155 C 1
+9976 C CA . TYR E 5 155 ? 198.377 139.511 201.471 1 122.23 ? 155 C 1
+9977 C C . TYR E 5 155 ? 198.713 138.338 202.38 1 122.23 ? 155 C 1
+9978 O O . TYR E 5 155 ? 197.989 137.333 202.399 1 122.23 ? 155 C 1
+9979 C CB . TYR E 5 155 ? 197.179 140.294 202.016 1 122.23 ? 155 C 1
+9980 C CG . TYR E 5 155 ? 196.872 141.553 201.234 1 122.23 ? 155 C 1
+9981 C CD1 . TYR E 5 155 ? 195.651 141.715 200.593 1 122.23 ? 155 C 1
+9982 C CD2 . TYR E 5 155 ? 197.801 142.583 201.143 1 122.23 ? 155 C 1
+9983 C CE1 . TYR E 5 155 ? 195.366 142.863 199.878 1 122.23 ? 155 C 1
+9984 C CE2 . TYR E 5 155 ? 197.523 143.736 200.431 1 122.23 ? 155 C 1
+9985 C CZ . TYR E 5 155 ? 196.305 143.87 199.802 1 122.23 ? 155 C 1
+9986 O OH . TYR E 5 155 ? 196.024 145.016 199.093 1 122.23 ? 155 C 1
+9987 N N . THR E 5 156 ? 199.805 138.469 203.137 1 122.55 ? 156 C 1
+9988 C CA . THR E 5 156 ? 200.322 137.39 203.967 1 122.55 ? 156 C 1
+9989 C C . THR E 5 156 ? 200.789 137.917 205.318 1 122.55 ? 156 C 1
+9990 O O . THR E 5 156 ? 201.451 138.956 205.398 1 122.55 ? 156 C 1
+9991 C CB . THR E 5 156 ? 201.484 136.679 203.266 1 122.55 ? 156 C 1
+9992 O OG1 . THR E 5 156 ? 201.144 136.449 201.893 1 122.55 ? 156 C 1
+9993 C CG2 . THR E 5 156 ? 201.788 135.351 203.942 1 122.55 ? 156 C 1
+9994 N N . LEU E 5 157 ? 200.453 137.181 206.372 1 126.54 ? 157 C 1
+9995 C CA . LEU E 5 157 ? 200.912 137.444 207.729 1 126.54 ? 157 C 1
+9996 C C . LEU E 5 157 ? 201.679 136.238 208.247 1 126.54 ? 157 C 1
+9997 O O . LEU E 5 157 ? 201.266 135.093 208.037 1 126.54 ? 157 C 1
+9998 C CB . LEU E 5 157 ? 199.736 137.756 208.671 1 126.54 ? 157 C 1
+9999 C CG . LEU E 5 157 ? 200.004 137.994 210.162 1 126.54 ? 157 C 1
+10000 C CD1 . LEU E 5 157 ? 200.871 139.209 210.393 1 126.54 ? 157 C 1
+10001 C CD2 . LEU E 5 157 ? 198.684 138.203 210.874 1 126.54 ? 157 C 1
+10002 N N . ILE E 5 158 ? 202.793 136.501 208.927 1 127.48 ? 158 C 1
+10003 C CA . ILE E 5 158 ? 203.565 135.474 209.612 1 127.48 ? 158 C 1
+10004 C C . ILE E 5 158 ? 203.861 135.968 211.02 1 127.48 ? 158 C 1
+10005 O O . ILE E 5 158 ? 204.331 137.096 211.202 1 127.48 ? 158 C 1
+10006 C CB . ILE E 5 158 ? 204.876 135.151 208.864 1 127.48 ? 158 C 1
+10007 C CG1 . ILE E 5 158 ? 204.583 134.659 207.446 1 127.48 ? 158 C 1
+10008 C CG2 . ILE E 5 158 ? 205.677 134.11 209.617 1 127.48 ? 158 C 1
+10009 C CD1 . ILE E 5 158 ? 205.818 134.512 206.583 1 127.48 ? 158 C 1
+10010 N N . VAL E 5 159 ? 203.579 135.133 212.018 1 126 ? 159 C 1
+10011 C CA . VAL E 5 159 ? 203.911 135.438 213.407 1 126 ? 159 C 1
+10012 C C . VAL E 5 159 ? 204.674 134.251 213.976 1 126 ? 159 C 1
+10013 O O . VAL E 5 159 ? 204.127 133.147 214.074 1 126 ? 159 C 1
+10014 C CB . VAL E 5 159 ? 202.677 135.745 214.266 1 126 ? 159 C 1
+10015 C CG1 . VAL E 5 159 ? 203.062 135.782 215.732 1 126 ? 159 C 1
+10016 C CG2 . VAL E 5 159 ? 202.084 137.078 213.87 1 126 ? 159 C 1
+10017 N N . ARG E 5 160 ? 205.92 134.474 214.347 1 125.37 ? 160 C 1
+10018 C CA . ARG E 5 160 ? 206.666 133.413 215.007 1 125.37 ? 160 C 1
+10019 C C . ARG E 5 160 ? 206.459 133.468 216.518 1 125.37 ? 160 C 1
+10020 O O . ARG E 5 160 ? 206.16 134.531 217.072 1 125.37 ? 160 C 1
+10021 C CB . ARG E 5 160 ? 208.158 133.511 214.674 1 125.37 ? 160 C 1
+10022 C CG . ARG E 5 160 ? 208.539 133.235 213.21 1 125.37 ? 160 C 1
+10023 C CD . ARG E 5 160 ? 210.018 133.38 212.87 1 125.37 ? 160 C 1
+10024 N NE . ARG E 5 160 ? 210.339 133.088 211.48 1 125.37 ? 160 C 1
+10025 C CZ . ARG E 5 160 ? 210.211 133.963 210.491 1 125.37 ? 160 C 1
+10026 N NH1 . ARG E 5 160 ? 209.792 135.197 210.712 1 125.37 ? 160 C 1
+10027 N NH2 . ARG E 5 160 ? 210.5 133.586 209.249 1 125.37 ? 160 C 1
+10028 N N . PRO E 5 161 ? 206.607 132.331 217.209 1 123.86 ? 161 C 1
+10029 C CA . PRO E 5 161 ? 206.351 132.309 218.661 1 123.86 ? 161 C 1
+10030 C C . PRO E 5 161 ? 207.298 133.174 219.478 1 123.86 ? 161 C 1
+10031 O O . PRO E 5 161 ? 207.177 133.193 220.71 1 123.86 ? 161 C 1
+10032 C CB . PRO E 5 161 ? 206.504 130.825 219.024 1 123.86 ? 161 C 1
+10033 C CG . PRO E 5 161 ? 207.318 130.24 217.915 1 123.86 ? 161 C 1
+10034 C CD . PRO E 5 161 ? 206.9 130.986 216.687 1 123.86 ? 161 C 1
+10035 N N . ASP E 5 162 ? 208.204 133.905 218.809 1 119.35 ? 162 C 1
+10036 C CA . ASP E 5 162 ? 209.124 134.854 219.502 1 119.35 ? 162 C 1
+10037 C C . ASP E 5 162 ? 208.52 136.256 219.402 1 119.35 ? 162 C 1
+10038 O O . ASP E 5 162 ? 209.293 137.214 219.211 1 119.35 ? 162 C 1
+10039 C CB . ASP E 5 162 ? 210.537 134.788 218.92 1 119.35 ? 162 C 1
+10040 C CG . ASP E 5 162 ? 210.574 135.024 217.42 1 119.35 ? 162 C 1
+10041 O OD1 . ASP E 5 162 ? 209.488 135.103 216.816 1 119.35 ? 162 C 1
+10042 O OD2 . ASP E 5 162 ? 211.688 135.13 216.87 1 119.35 ? 162 C 1
+10043 N N . ASN E 5 163 ? 207.201 136.371 219.544 1 117.35 ? 163 C 1
+10044 C CA . ASN E 5 163 ? 206.458 137.624 219.427 1 117.35 ? 163 C 1
+10045 C C . ASN E 5 163 ? 207.039 138.533 218.35 1 117.35 ? 163 C 1
+10046 O O . ASN E 5 163 ? 207.21 139.737 218.566 1 117.35 ? 163 C 1
+10047 C CB . ASN E 5 163 ? 206.373 138.359 220.777 1 117.35 ? 163 C 1
+10048 C CG . ASN E 5 163 ? 207.726 138.597 221.419 1 117.35 ? 163 C 1
+10049 O OD1 . ASN E 5 163 ? 208.434 139.542 221.073 1 117.35 ? 163 C 1
+10050 N ND2 . ASN E 5 163 ? 208.09 137.738 222.364 1 117.35 ? 163 C 1
+10051 N N . THR E 5 164 ? 207.321 137.913 217.2 1 121.16 ? 164 C 1
+10052 C CA . THR E 5 164 ? 207.797 138.683 216.029 1 121.16 ? 164 C 1
+10053 C C . THR E 5 164 ? 206.746 138.536 214.931 1 121.16 ? 164 C 1
+10054 O O . THR E 5 164 ? 206.048 137.502 214.921 1 121.16 ? 164 C 1
+10055 C CB . THR E 5 164 ? 209.174 138.21 215.55 1 121.16 ? 164 C 1
+10056 O OG1 . THR E 5 164 ? 209.057 136.845 215.148 1 121.16 ? 164 C 1
+10057 C CG2 . THR E 5 164 ? 210.25 138.355 216.604 1 121.16 ? 164 C 1
+10058 N N . TYR E 5 165 ? 206.64 139.522 214.049 1 120.11 ? 165 C 1
+10059 C CA . TYR E 5 165 ? 205.669 139.539 212.969 1 120.11 ? 165 C 1
+10060 C C . TYR E 5 165 ? 206.327 139.98 211.667 1 120.11 ? 165 C 1
+10061 O O . TYR E 5 165 ? 207.317 140.721 211.658 1 120.11 ? 165 C 1
+10062 C CB . TYR E 5 165 ? 204.501 140.479 213.29 1 120.11 ? 165 C 1
+10063 C CG . TYR E 5 165 ? 204.806 141.929 212.991 1 120.11 ? 165 C 1
+10064 C CD1 . TYR E 5 165 ? 205.627 142.672 213.827 1 120.11 ? 165 C 1
+10065 C CD2 . TYR E 5 165 ? 204.273 142.557 211.872 1 120.11 ? 165 C 1
+10066 C CE1 . TYR E 5 165 ? 205.911 143.995 213.557 1 120.11 ? 165 C 1
+10067 C CE2 . TYR E 5 165 ? 204.551 143.881 211.595 1 120.11 ? 165 C 1
+10068 C CZ . TYR E 5 165 ? 205.371 144.595 212.443 1 120.11 ? 165 C 1
+10069 O OH . TYR E 5 165 ? 205.654 145.915 212.178 1 120.11 ? 165 C 1
+10070 N N . GLU E 5 166 ? 205.744 139.514 210.564 1 123.34 ? 166 C 1
+10071 C CA . GLU E 5 166 ? 206.188 139.878 209.223 1 123.34 ? 166 C 1
+10072 C C . GLU E 5 166 ? 204.975 139.897 208.306 1 123.34 ? 166 C 1
+10073 O O . GLU E 5 166 ? 204.285 138.883 208.161 1 123.34 ? 166 C 1
+10074 C CB . GLU E 5 166 ? 207.246 138.9 208.707 1 123.34 ? 166 C 1
+10075 C CG . GLU E 5 166 ? 207.798 139.251 207.336 1 123.34 ? 166 C 1
+10076 C CD . GLU E 5 166 ? 208.907 138.315 206.897 1 123.34 ? 166 C 1
+10077 O OE1 . GLU E 5 166 ? 209.202 137.351 207.635 1 123.34 ? 166 C 1
+10078 O OE2 . GLU E 5 166 ? 209.489 138.546 205.817 1 123.34 ? 166 C 1
+10079 N N . VAL E 5 167 ? 204.72 141.049 207.693 1 122.75 ? 167 C 1
+10080 C CA . VAL E 5 167 ? 203.597 141.251 206.786 1 122.75 ? 167 C 1
+10081 C C . VAL E 5 167 ? 204.143 141.416 205.375 1 122.75 ? 167 C 1
+10082 O O . VAL E 5 167 ? 205.029 142.249 205.136 1 122.75 ? 167 C 1
+10083 C CB . VAL E 5 167 ? 202.755 142.471 207.197 1 122.75 ? 167 C 1
+10084 C CG1 . VAL E 5 167 ? 201.721 142.784 206.129 1 122.75 ? 167 C 1
+10085 C CG2 . VAL E 5 167 ? 202.084 142.22 208.539 1 122.75 ? 167 C 1
+10086 N N . LYS E 5 168 ? 203.614 140.622 204.447 1 122.35 ? 168 C 1
+10087 C CA . LYS E 5 168 ? 204.044 140.611 203.06 1 122.35 ? 168 C 1
+10088 C C . LYS E 5 168 ? 202.871 140.931 202.142 1 122.35 ? 168 C 1
+10089 O O . LYS E 5 168 ? 201.728 140.532 202.39 1 122.35 ? 168 C 1
+10090 C CB . LYS E 5 168 ? 204.638 139.251 202.671 1 122.35 ? 168 C 1
+10091 C CG . LYS E 5 168 ? 205.97 138.929 203.323 1 122.35 ? 168 C 1
+10092 C CD . LYS E 5 168 ? 206.608 137.713 202.671 1 122.35 ? 168 C 1
+10093 C CE . LYS E 5 168 ? 208.054 137.542 203.102 1 122.35 ? 168 C 1
+10094 N NZ . LYS E 5 168 ? 208.706 136.398 202.407 1 122.35 ? 168 C 1
+10095 N N . ILE E 5 169 ? 203.174 141.653 201.066 1 125.01 ? 169 C 1
+10096 C CA . ILE E 5 169 ? 202.205 141.978 200.027 1 125.01 ? 169 C 1
+10097 C C . ILE E 5 169 ? 202.753 141.467 198.704 1 125.01 ? 169 C 1
+10098 O O . ILE E 5 169 ? 203.872 141.823 198.315 1 125.01 ? 169 C 1
+10099 C CB . ILE E 5 169 ? 201.924 143.488 199.95 1 125.01 ? 169 C 1
+10100 C CG1 . ILE E 5 169 ? 201.151 143.951 201.186 1 125.01 ? 169 C 1
+10101 C CG2 . ILE E 5 169 ? 201.152 143.821 198.683 1 125.01 ? 169 C 1
+10102 C CD1 . ILE E 5 169 ? 200.801 145.422 201.172 1 125.01 ? 169 C 1
+10103 N N . ASP E 5 170 ? 201.965 140.639 198.014 1 130.16 ? 170 C 1
+10104 C CA . ASP E 5 170 ? 202.337 140.084 196.711 1 130.16 ? 170 C 1
+10105 C C . ASP E 5 170 ? 203.667 139.333 196.786 1 130.16 ? 170 C 1
+10106 O O . ASP E 5 170 ? 204.567 139.534 195.967 1 130.16 ? 170 C 1
+10107 C CB . ASP E 5 170 ? 202.385 141.181 195.644 1 130.16 ? 170 C 1
+10108 C CG . ASP E 5 170 ? 201.105 141.989 195.582 1 130.16 ? 170 C 1
+10109 O OD1 . ASP E 5 170 ? 200.082 141.528 196.131 1 130.16 ? 170 C 1
+10110 O OD2 . ASP E 5 170 ? 201.121 143.085 194.985 1 130.16 ? 170 C 1
+10111 N N . ASN E 5 171 ? 203.789 138.475 197.803 1 129.06 ? 171 C 1
+10112 C CA . ASN E 5 171 ? 204.978 137.657 198.034 1 129.06 ? 171 C 1
+10113 C C . ASN E 5 171 ? 206.206 138.509 198.336 1 129.06 ? 171 C 1
+10114 O O . ASN E 5 171 ? 207.322 137.986 198.427 1 129.06 ? 171 C 1
+10115 C CB . ASN E 5 171 ? 205.255 136.743 196.836 1 129.06 ? 171 C 1
+10116 C CG . ASN E 5 171 ? 204.15 135.733 196.605 1 129.06 ? 171 C 1
+10117 O OD1 . ASN E 5 171 ? 203.46 135.772 195.586 1 129.06 ? 171 C 1
+10118 N ND2 . ASN E 5 171 ? 203.982 134.814 197.549 1 129.06 ? 171 C 1
+10119 N N . SER E 5 172 ? 206.003 139.822 198.478 1 125.87 ? 172 C 1
+10120 C CA . SER E 5 172 ? 207.138 140.744 198.746 1 125.87 ? 172 C 1
+10121 C C . SER E 5 172 ? 207.058 141.262 200.186 1 125.87 ? 172 C 1
+10122 O O . SER E 5 172 ? 205.948 141.629 200.62 1 125.87 ? 172 C 1
+10123 C CB . SER E 5 172 ? 207.155 141.879 197.756 1 125.87 ? 172 C 1
+10124 N N . GLN E 5 173 ? 208.194 141.288 200.892 1 122.71 ? 173 C 1
+10125 C CA . GLN E 5 173 ? 208.202 141.755 202.306 1 122.71 ? 173 C 1
+10126 C C . GLN E 5 173 ? 207.848 143.245 202.362 1 122.71 ? 173 C 1
+10127 O O . GLN E 5 173 ? 208.491 144.027 201.635 1 122.71 ? 173 C 1
+10128 C CB . GLN E 5 173 ? 209.564 141.495 202.951 1 122.71 ? 173 C 1
+10129 C CG . GLN E 5 173 ? 209.596 141.808 204.44 1 122.71 ? 173 C 1
+10130 C CD . GLN E 5 173 ? 210.895 141.384 205.08 1 122.71 ? 173 C 1
+10131 O OE1 . GLN E 5 173 ? 211.141 141.636 206.257 1 122.71 ? 173 C 1
+10132 N NE2 . GLN E 5 173 ? 211.743 140.733 204.301 1 122.71 ? 173 C 1
+10133 N N . VAL E 5 174 ? 206.865 143.62 203.187 1 122.38 ? 174 C 1
+10134 C CA . VAL E 5 174 ? 206.414 145.045 203.24 1 122.38 ? 174 C 1
+10135 C C . VAL E 5 174 ? 206.545 145.573 204.674 1 122.38 ? 174 C 1
+10136 O O . VAL E 5 174 ? 206.592 146.809 204.837 1 122.38 ? 174 C 1
+10137 C CB . VAL E 5 174 ? 204.978 145.207 202.704 1 122.38 ? 174 C 1
+10138 C CG1 . VAL E 5 174 ? 204.856 144.709 201.273 1 122.38 ? 174 C 1
+10139 C CG2 . VAL E 5 174 ? 203.953 144.527 203.598 1 122.38 ? 174 C 1
+10140 N N . GLU E 5 175 ? 206.603 144.681 205.668 1 122.16 ? 175 C 1
+10141 C CA . GLU E 5 175 ? 206.769 145.11 207.049 1 122.16 ? 175 C 1
+10142 C C . GLU E 5 175 ? 207.297 143.947 207.876 1 122.16 ? 175 C 1
+10143 O O . GLU E 5 175 ? 206.985 142.786 207.605 1 122.16 ? 175 C 1
+10144 C CB . GLU E 5 175 ? 205.45 145.633 207.632 1 122.16 ? 175 C 1
+10145 C CG . GLU E 5 175 ? 205.583 146.254 209.008 1 122.16 ? 175 C 1
+10146 C CD . GLU E 5 175 ? 206.549 147.421 209.023 1 122.16 ? 175 C 1
+10147 O OE1 . GLU E 5 175 ? 206.198 148.494 208.488 1 122.16 ? 175 C 1
+10148 O OE2 . GLU E 5 175 ? 207.661 147.265 209.569 1 122.16 ? 175 C 1
+10149 N N . SER E 5 176 ? 208.098 144.268 208.889 1 118.65 ? 176 C 1
+10150 C CA . SER E 5 176 ? 208.644 143.254 209.781 1 118.65 ? 176 C 1
+10151 C C . SER E 5 176 ? 208.997 143.907 211.107 1 118.65 ? 176 C 1
+10152 O O . SER E 5 176 ? 209.334 145.093 211.145 1 118.65 ? 176 C 1
+10153 C CB . SER E 5 176 ? 209.884 142.585 209.175 1 118.65 ? 176 C 1
+10154 O OG . SER E 5 176 ? 210.94 143.515 209.011 1 118.65 ? 176 C 1
+10155 N N . GLY E 5 177 ? 208.917 143.135 212.183 1 115.42 ? 177 C 1
+10156 C CA . GLY E 5 177 ? 209.303 143.657 213.48 1 115.42 ? 177 C 1
+10157 C C . GLY E 5 177 ? 208.891 142.733 214.6 1 115.42 ? 177 C 1
+10158 O O . GLY E 5 177 ? 208.657 141.543 214.389 1 115.42 ? 177 C 1
+10159 N N . SER E 5 178 ? 208.795 143.3 215.8 1 117.13 ? 178 C 1
+10160 C CA . SER E 5 178 ? 208.421 142.56 216.995 1 117.13 ? 178 C 1
+10161 C C . SER E 5 178 ? 207.079 143.053 217.517 1 117.13 ? 178 C 1
+10162 O O . SER E 5 178 ? 206.746 144.237 217.402 1 117.13 ? 178 C 1
+10163 C CB . SER E 5 178 ? 209.485 142.695 218.091 1 117.13 ? 178 C 1
+10164 O OG . SER E 5 178 ? 208.962 142.328 219.356 1 117.13 ? 178 C 1
+10165 N N . LEU E 5 179 ? 206.308 142.127 218.091 1 114.12 ? 179 C 1
+10166 C CA . LEU E 5 179 ? 204.985 142.474 218.599 1 114.12 ? 179 C 1
+10167 C C . LEU E 5 179 ? 205.074 143.407 219.8 1 114.12 ? 179 C 1
+10168 O O . LEU E 5 179 ? 204.266 144.333 219.937 1 114.12 ? 179 C 1
+10169 C CB . LEU E 5 179 ? 204.214 141.206 218.962 1 114.12 ? 179 C 1
+10170 C CG . LEU E 5 179 ? 203.91 140.25 217.808 1 114.12 ? 179 C 1
+10171 C CD1 . LEU E 5 179 ? 203.178 139.02 218.313 1 114.12 ? 179 C 1
+10172 C CD2 . LEU E 5 179 ? 203.101 140.954 216.731 1 114.12 ? 179 C 1
+10173 N N . GLU E 5 180 ? 206.048 143.181 220.68 1 111.75 ? 180 C 1
+10174 C CA . GLU E 5 180 ? 206.194 143.958 221.903 1 111.75 ? 180 C 1
+10175 C C . GLU E 5 180 ? 206.879 145.301 221.674 1 111.75 ? 180 C 1
+10176 O O . GLU E 5 180 ? 207.248 145.971 222.646 1 111.75 ? 180 C 1
+10177 C CB . GLU E 5 180 ? 206.963 143.149 222.95 1 111.75 ? 180 C 1
+10178 N N . ASP E 5 181 ? 207.056 145.71 220.419 1 116.21 ? 181 C 1
+10179 C CA . ASP E 5 181 ? 207.711 146.98 220.118 1 116.21 ? 181 C 1
+10180 C C . ASP E 5 181 ? 206.907 147.904 219.213 1 116.21 ? 181 C 1
+10181 O O . ASP E 5 181 ? 207.154 149.114 219.237 1 116.21 ? 181 C 1
+10182 C CB . ASP E 5 181 ? 209.084 146.733 219.476 1 116.21 ? 181 C 1
+10183 N N . ASP E 5 182 ? 205.963 147.398 218.42 1 120.24 ? 182 C 1
+10184 C CA . ASP E 5 182 ? 205.174 148.223 217.513 1 120.24 ? 182 C 1
+10185 C C . ASP E 5 182 ? 203.703 148.279 217.911 1 120.24 ? 182 C 1
+10186 O O . ASP E 5 182 ? 202.866 148.719 217.115 1 120.24 ? 182 C 1
+10187 C CB . ASP E 5 182 ? 205.316 147.714 216.078 1 120.24 ? 182 C 1
+10188 C CG . ASP E 5 182 ? 206.725 147.869 215.542 1 120.24 ? 182 C 1
+10189 O OD1 . ASP E 5 182 ? 207.429 148.804 215.979 1 120.24 ? 182 C 1
+10190 O OD2 . ASP E 5 182 ? 207.129 147.054 214.686 1 120.24 ? 182 C 1
+10191 N N . TRP E 5 183 ? 203.37 147.842 219.12 1 121.24 ? 183 C 1
+10192 C CA . TRP E 5 183 ? 201.987 147.823 219.584 1 121.24 ? 183 C 1
+10193 C C . TRP E 5 183 ? 201.925 148.468 220.966 1 121.24 ? 183 C 1
+10194 O O . TRP E 5 183 ? 202.902 149.034 221.472 1 121.24 ? 183 C 1
+10195 C CB . TRP E 5 183 ? 201.437 146.392 219.581 1 121.24 ? 183 C 1
+10196 C CG . TRP E 5 183 ? 200.983 145.941 218.234 1 121.24 ? 183 C 1
+10197 C CD1 . TRP E 5 183 ? 199.713 145.981 217.74 1 121.24 ? 183 C 1
+10198 C CD2 . TRP E 5 183 ? 201.801 145.396 217.197 1 121.24 ? 183 C 1
+10199 N NE1 . TRP E 5 183 ? 199.689 145.486 216.459 1 121.24 ? 183 C 1
+10200 C CE2 . TRP E 5 183 ? 200.96 145.121 216.102 1 121.24 ? 183 C 1
+10201 C CE3 . TRP E 5 183 ? 203.164 145.109 217.088 1 121.24 ? 183 C 1
+10202 C CZ2 . TRP E 5 183 ? 201.438 144.576 214.914 1 121.24 ? 183 C 1
+10203 C CZ3 . TRP E 5 183 ? 203.634 144.568 215.912 1 121.24 ? 183 C 1
+10204 C CH2 . TRP E 5 183 ? 202.774 144.305 214.84 1 121.24 ? 183 C 1
+10205 N N . ASP E 5 184 ? 200.756 148.382 221.6 1 117.45 ? 184 C 1
+10206 C CA . ASP E 5 184 ? 200.536 148.944 222.926 1 117.45 ? 184 C 1
+10207 C C . ASP E 5 184 ? 200.3 147.844 223.953 1 117.45 ? 184 C 1
+10208 O O . ASP E 5 184 ? 199.444 147.98 224.832 1 117.45 ? 184 C 1
+10209 C CB . ASP E 5 184 ? 199.367 149.929 222.916 1 117.45 ? 184 C 1
+10210 N N . PHE E 5 185 ? 201.046 146.742 223.846 1 122.47 ? 185 C 1
+10211 C CA . PHE E 5 185 ? 200.953 145.677 224.84 1 122.47 ? 185 C 1
+10212 C C . PHE E 5 185 ? 201.363 146.188 226.215 1 122.47 ? 185 C 1
+10213 O O . PHE E 5 185 ? 200.554 146.229 227.149 1 122.47 ? 185 C 1
+10214 C CB . PHE E 5 185 ? 201.834 144.496 224.424 1 122.47 ? 185 C 1
+10215 C CG . PHE E 5 185 ? 201.349 143.769 223.201 1 122.47 ? 185 C 1
+10216 C CD1 . PHE E 5 185 ? 200.072 143.975 222.709 1 122.47 ? 185 C 1
+10217 C CD2 . PHE E 5 185 ? 202.179 142.877 222.542 1 122.47 ? 185 C 1
+10218 C CE1 . PHE E 5 185 ? 199.632 143.304 221.584 1 122.47 ? 185 C 1
+10219 C CE2 . PHE E 5 185 ? 201.744 142.203 221.417 1 122.47 ? 185 C 1
+10220 C CZ . PHE E 5 185 ? 200.469 142.417 220.938 1 122.47 ? 185 C 1
+10221 N N . LEU E 5 186 ? 202.625 146.587 226.352 1 121.03 ? 186 C 1
+10222 C CA . LEU E 5 186 ? 203.138 147.204 227.575 1 121.03 ? 186 C 1
+10223 C C . LEU E 5 186 ? 203.858 148.481 227.178 1 121.03 ? 186 C 1
+10224 O O . LEU E 5 186 ? 205.089 148.51 227.052 1 121.03 ? 186 C 1
+10225 C CB . LEU E 5 186 ? 204.063 146.25 228.333 1 121.03 ? 186 C 1
+10226 N N . PRO E 5 187 ? 203.116 149.563 226.958 1 121.03 ? 187 C 1
+10227 C CA . PRO E 5 187 ? 203.724 150.806 226.455 1 121.03 ? 187 C 1
+10228 C C . PRO E 5 187 ? 204.788 151.404 227.37 1 121.03 ? 187 C 1
+10229 O O . PRO E 5 187 ? 205.697 152.076 226.86 1 121.03 ? 187 C 1
+10230 C CB . PRO E 5 187 ? 202.517 151.74 226.268 1 121.03 ? 187 C 1
+10231 C CG . PRO E 5 187 ? 201.45 151.205 227.154 1 121.03 ? 187 C 1
+10232 C CD . PRO E 5 187 ? 201.661 149.703 227.17 1 121.03 ? 187 C 1
+10233 N N . PRO E 5 188 ? 204.751 151.217 228.696 1 119.45 ? 188 C 1
+10234 C CA . PRO E 5 188 ? 205.913 151.669 229.481 1 119.45 ? 188 C 1
+10235 C C . PRO E 5 188 ? 207.126 150.788 229.225 1 119.45 ? 188 C 1
+10236 O O . PRO E 5 188 ? 207.158 149.616 229.605 1 119.45 ? 188 C 1
+10237 C CB . PRO E 5 188 ? 205.429 151.565 230.932 1 119.45 ? 188 C 1
+10238 C CG . PRO E 5 188 ? 204.351 150.582 230.9 1 119.45 ? 188 C 1
+10239 C CD . PRO E 5 188 ? 203.658 150.824 229.605 1 119.45 ? 188 C 1
+10240 N N . LYS E 5 189 ? 208.127 151.361 228.559 1 117.94 ? 189 C 1
+10241 C CA . LYS E 5 189 ? 209.398 150.679 228.353 1 117.94 ? 189 C 1
+10242 C C . LYS E 5 189 ? 210.51 151.427 229.077 1 117.94 ? 189 C 1
+10243 O O . LYS E 5 189 ? 211.237 150.845 229.889 1 117.94 ? 189 C 1
+10244 C CB . LYS E 5 189 ? 209.713 150.559 226.86 1 117.94 ? 189 C 1
+10245 N N . LYS E 5 190 ? 210.644 152.718 228.785 1 117.88 ? 190 C 1
+10246 C CA . LYS E 5 190 ? 211.594 153.594 229.461 1 117.88 ? 190 C 1
+10247 C C . LYS E 5 190 ? 210.869 154.889 229.811 1 117.88 ? 190 C 1
+10248 O O . LYS E 5 190 ? 210.307 155.55 228.931 1 117.88 ? 190 C 1
+10249 C CB . LYS E 5 190 ? 212.814 153.861 228.582 1 117.88 ? 190 C 1
+10250 N N . ILE E 5 191 ? 210.881 155.25 231.089 1 114.78 ? 191 C 1
+10251 C CA . ILE E 5 191 ? 210.154 156.419 231.572 1 114.78 ? 191 C 1
+10252 C C . ILE E 5 191 ? 211.162 157.476 232.001 1 114.78 ? 191 C 1
+10253 O O . ILE E 5 191 ? 212.107 157.181 232.74 1 114.78 ? 191 C 1
+10254 C CB . ILE E 5 191 ? 209.214 156.051 232.729 1 114.78 ? 191 C 1
+10255 N N . LYS E 5 192 ? 210.977 158.702 231.517 1 108.51 ? 192 C 1
+10256 C CA . LYS E 5 192 ? 211.822 159.806 231.949 1 108.51 ? 192 C 1
+10257 C C . LYS E 5 192 ? 211.561 160.121 233.416 1 108.51 ? 192 C 1
+10258 O O . LYS E 5 192 ? 210.423 160.059 233.888 1 108.51 ? 192 C 1
+10259 C CB . LYS E 5 192 ? 211.564 161.042 231.087 1 108.51 ? 192 C 1
+10260 N N . ASP E 5 193 ? 212.626 160.455 234.141 1 107.56 ? 193 C 1
+10261 C CA . ASP E 5 193 ? 212.497 160.738 235.564 1 107.56 ? 193 C 1
+10262 C C . ASP E 5 193 ? 211.777 162.065 235.77 1 107.56 ? 193 C 1
+10263 O O . ASP E 5 193 ? 212.264 163.113 235.327 1 107.56 ? 193 C 1
+10264 C CB . ASP E 5 193 ? 213.871 160.764 236.236 1 107.56 ? 193 C 1
+10265 N N . PRO E 5 194 ? 210.614 162.059 236.428 1 103.84 ? 194 C 1
+10266 C CA . PRO E 5 194 ? 209.906 163.324 236.681 1 103.84 ? 194 C 1
+10267 C C . PRO E 5 194 ? 210.678 164.293 237.558 1 103.84 ? 194 C 1
+10268 O O . PRO E 5 194 ? 210.55 165.508 237.369 1 103.84 ? 194 C 1
+10269 C CB . PRO E 5 194 ? 208.605 162.871 237.362 1 103.84 ? 194 C 1
+10270 C CG . PRO E 5 194 ? 208.478 161.409 237.023 1 103.84 ? 194 C 1
+10271 C CD . PRO E 5 194 ? 209.884 160.904 236.974 1 103.84 ? 194 C 1
+10272 N N . ASP E 5 195 ? 211.475 163.798 238.508 1 103.87 ? 195 C 1
+10273 C CA . ASP E 5 195 ? 212.206 164.682 239.407 1 103.87 ? 195 C 1
+10274 C C . ASP E 5 195 ? 213.464 165.252 238.768 1 103.87 ? 195 C 1
+10275 O O . ASP E 5 195 ? 214.104 166.126 239.363 1 103.87 ? 195 C 1
+10276 C CB . ASP E 5 195 ? 212.568 163.939 240.694 1 103.87 ? 195 C 1
+10277 N N . ALA E 5 196 ? 213.835 164.781 237.577 1 107.2 ? 196 C 1
+10278 C CA . ALA E 5 196 ? 215.045 165.245 236.9 1 107.2 ? 196 C 1
+10279 C C . ALA E 5 196 ? 214.739 166.563 236.194 1 107.2 ? 196 C 1
+10280 O O . ALA E 5 196 ? 214.651 166.651 234.968 1 107.2 ? 196 C 1
+10281 C CB . ALA E 5 196 ? 215.557 164.188 235.93 1 107.2 ? 196 C 1
+10282 N N . SER E 5 197 ? 214.575 167.609 236.999 1 112.6 ? 197 C 1
+10283 C CA . SER E 5 197 ? 214.339 168.941 236.471 1 112.6 ? 197 C 1
+10284 C C . SER E 5 197 ? 215.628 169.523 235.898 1 112.6 ? 197 C 1
+10285 O O . SER E 5 197 ? 216.738 169.116 236.251 1 112.6 ? 197 C 1
+10286 C CB . SER E 5 197 ? 213.782 169.862 237.557 1 112.6 ? 197 C 1
+10287 N N . LYS E 5 198 ? 215.467 170.484 234.999 1 116.01 ? 198 C 1
+10288 C CA . LYS E 5 198 ? 216.617 171.126 234.373 1 116.01 ? 198 C 1
+10289 C C . LYS E 5 198 ? 217.372 171.939 235.416 1 116.01 ? 198 C 1
+10290 O O . LYS E 5 198 ? 216.774 172.813 236.059 1 116.01 ? 198 C 1
+10291 N N . PRO E 5 199 ? 218.663 171.689 235.626 1 119.39 ? 199 C 1
+10292 C CA . PRO E 5 199 ? 219.415 172.472 236.612 1 119.39 ? 199 C 1
+10293 C C . PRO E 5 199 ? 219.536 173.93 236.199 1 119.39 ? 199 C 1
+10294 O O . PRO E 5 199 ? 219.542 174.268 235.013 1 119.39 ? 199 C 1
+10295 C CB . PRO E 5 199 ? 220.788 171.787 236.64 1 119.39 ? 199 C 1
+10296 C CG . PRO E 5 199 ? 220.553 170.424 236.06 1 119.39 ? 199 C 1
+10297 C CD . PRO E 5 199 ? 219.476 170.613 235.039 1 119.39 ? 199 C 1
+10298 N N . GLU E 5 200 ? 219.628 174.8 237.208 1 116.44 ? 200 C 1
+10299 C CA . GLU E 5 200 ? 219.785 176.226 236.941 1 116.44 ? 200 C 1
+10300 C C . GLU E 5 200 ? 221.116 176.527 236.266 1 116.44 ? 200 C 1
+10301 O O . GLU E 5 200 ? 221.217 177.486 235.492 1 116.44 ? 200 C 1
+10302 C CB . GLU E 5 200 ? 219.655 177.021 238.24 1 116.44 ? 200 C 1
+10303 N N . ASP E 5 201 ? 222.147 175.727 236.546 1 110.53 ? 201 C 1
+10304 C CA . ASP E 5 201 ? 223.449 175.924 235.921 1 110.53 ? 201 C 1
+10305 C C . ASP E 5 201 ? 223.515 175.369 234.505 1 110.53 ? 201 C 1
+10306 O O . ASP E 5 201 ? 224.465 175.684 233.78 1 110.53 ? 201 C 1
+10307 C CB . ASP E 5 201 ? 224.543 175.284 236.777 1 110.53 ? 201 C 1
+10308 N N . TRP E 5 202 ? 222.54 174.56 234.095 1 113.4 ? 202 C 1
+10309 C CA . TRP E 5 202 ? 222.509 173.992 232.748 1 113.4 ? 202 C 1
+10310 C C . TRP E 5 202 ? 221.78 174.973 231.838 1 113.4 ? 202 C 1
+10311 O O . TRP E 5 202 ? 220.56 174.901 231.677 1 113.4 ? 202 C 1
+10312 C CB . TRP E 5 202 ? 221.835 172.625 232.755 1 113.4 ? 202 C 1
+10313 N N . ASP E 5 203 ? 222.532 175.893 231.241 1 106.65 ? 203 C 1
+10314 C CA . ASP E 5 203 ? 221.937 176.9 230.374 1 106.65 ? 203 C 1
+10315 C C . ASP E 5 203 ? 221.603 176.301 229.013 1 106.65 ? 203 C 1
+10316 O O . ASP E 5 203 ? 222.419 175.593 228.415 1 106.65 ? 203 C 1
+10317 C CB . ASP E 5 203 ? 222.887 178.086 230.211 1 106.65 ? 203 C 1
+10318 N N . GLU E 5 204 ? 220.395 176.586 228.526 1 103.96 ? 204 C 1
+10319 C CA . GLU E 5 204 ? 219.964 176.156 227.2 1 103.96 ? 204 C 1
+10320 C C . GLU E 5 204 ? 220.235 177.231 226.152 1 103.96 ? 204 C 1
+10321 O O . GLU E 5 204 ? 220.832 176.952 225.108 1 103.96 ? 204 C 1
+10322 C CB . GLU E 5 204 ? 218.474 175.788 227.222 1 103.96 ? 204 C 1
+10323 N N . ARG E 5 205 ? 219.803 178.46 226.415 1 103 ? 205 C 1
+10324 C CA . ARG E 5 205 ? 220.109 179.599 225.55 1 103 ? 205 C 1
+10325 C C . ARG E 5 205 ? 221.335 180.343 226.076 1 103 ? 205 C 1
+10326 O O . ARG E 5 205 ? 221.253 181.453 226.604 1 103 ? 205 C 1
+10327 C CB . ARG E 5 205 ? 218.898 180.522 225.445 1 103 ? 205 C 1
+10328 N N . ALA E 5 206 ? 222.49 179.697 225.926 1 110.93 ? 206 C 1
+10329 C CA . ALA E 5 206 ? 223.729 180.232 226.472 1 110.93 ? 206 C 1
+10330 C C . ALA E 5 206 ? 224.136 181.509 225.746 1 110.93 ? 206 C 1
+10331 O O . ALA E 5 206 ? 224.04 181.613 224.52 1 110.93 ? 206 C 1
+10332 C CB . ALA E 5 206 ? 224.846 179.192 226.373 1 110.93 ? 206 C 1
+10333 N N . LYS E 5 207 ? 224.594 182.487 226.523 1 113.22 ? 207 C 1
+10334 C CA . LYS E 5 207 ? 225.091 183.749 225.996 1 113.22 ? 207 C 1
+10335 C C . LYS E 5 207 ? 226.157 184.289 226.936 1 113.22 ? 207 C 1
+10336 O O . LYS E 5 207 ? 225.963 184.317 228.154 1 113.22 ? 207 C 1
+10337 C CB . LYS E 5 207 ? 223.962 184.775 225.831 1 113.22 ? 207 C 1
+10338 N N . ILE E 5 208 ? 227.282 184.715 226.366 1 119.22 ? 208 C 1
+10339 C CA . ILE E 5 208 ? 228.414 185.227 227.129 1 119.22 ? 208 C 1
+10340 C C . ILE E 5 208 ? 228.672 186.665 226.705 1 119.22 ? 208 C 1
+10341 O O . ILE E 5 208 ? 228.753 186.962 225.507 1 119.22 ? 208 C 1
+10342 C CB . ILE E 5 208 ? 229.67 184.363 226.928 1 119.22 ? 208 C 1
+10343 N N . ASP E 5 209 ? 228.801 187.553 227.686 1 127.39 ? 209 C 1
+10344 C CA . ASP E 5 209 ? 229.079 188.954 227.41 1 127.39 ? 209 C 1
+10345 C C . ASP E 5 209 ? 230.58 189.195 227.333 1 127.39 ? 209 C 1
+10346 O O . ASP E 5 209 ? 231.363 188.581 228.065 1 127.39 ? 209 C 1
+10347 C CB . ASP E 5 209 ? 228.459 189.844 228.487 1 127.39 ? 209 C 1
+10348 N N . ASP E 5 210 ? 230.973 190.096 226.437 1 128.4 ? 210 C 1
+10349 C CA . ASP E 5 210 ? 232.367 190.471 226.232 1 128.4 ? 210 C 1
+10350 C C . ASP E 5 210 ? 233.277 189.276 225.933 1 128.4 ? 210 C 1
+10351 O O . ASP E 5 210 ? 234.226 189.01 226.682 1 128.4 ? 210 C 1
+10352 C CB . ASP E 5 210 ? 232.887 191.254 227.43 1 128.4 ? 210 C 1
+10353 N N . PRO E 5 211 ? 233.021 188.533 224.851 1 131.8 ? 211 C 1
+10354 C CA . PRO E 5 211 ? 233.966 187.465 224.483 1 131.8 ? 211 C 1
+10355 C C . PRO E 5 211 ? 235.265 188.005 223.916 1 131.8 ? 211 C 1
+10356 O O . PRO E 5 211 ? 236.349 187.566 224.319 1 131.8 ? 211 C 1
+10357 C CB . PRO E 5 211 ? 233.187 186.642 223.443 1 131.8 ? 211 C 1
+10358 C CG . PRO E 5 211 ? 231.779 187.186 223.45 1 131.8 ? 211 C 1
+10359 C CD . PRO E 5 211 ? 231.89 188.597 223.914 1 131.8 ? 211 C 1
+10360 N N . THR E 5 212 ? 235.183 188.955 222.984 1 129.24 ? 212 C 1
+10361 C CA . THR E 5 212 ? 236.365 189.59 222.416 1 129.24 ? 212 C 1
+10362 C C . THR E 5 212 ? 236.148 191.092 222.288 1 129.24 ? 212 C 1
+10363 O O . THR E 5 212 ? 236.54 191.7 221.286 1 129.24 ? 212 C 1
+10364 C CB . THR E 5 212 ? 236.704 188.984 221.052 1 129.24 ? 212 C 1
+10365 N N . ASP E 5 213 ? 235.523 191.698 223.294 1 127.78 ? 213 C 1
+10366 C CA . ASP E 5 213 ? 235.206 193.119 223.253 1 127.78 ? 213 C 1
+10367 C C . ASP E 5 213 ? 235.095 193.638 224.679 1 127.78 ? 213 C 1
+10368 O O . ASP E 5 213 ? 235.055 192.869 225.642 1 127.78 ? 213 C 1
+10369 C CB . ASP E 5 213 ? 233.914 193.38 222.471 1 127.78 ? 213 C 1
+10370 N N . SER E 5 214 ? 235.05 194.962 224.798 1 119.39 ? 214 C 1
+10371 C CA . SER E 5 214 ? 234.917 195.627 226.086 1 119.39 ? 214 C 1
+10372 C C . SER E 5 214 ? 234.045 196.862 225.899 1 119.39 ? 214 C 1
+10373 O O . SER E 5 214 ? 233.52 197.115 224.811 1 119.39 ? 214 C 1
+10374 C CB . SER E 5 214 ? 236.288 195.987 226.667 1 119.39 ? 214 C 1
+10375 N N . LYS E 5 215 ? 233.886 197.63 226.977 1 113.05 ? 215 C 1
+10376 C CA . LYS E 5 215 ? 233.101 198.856 226.926 1 113.05 ? 215 C 1
+10377 C C . LYS E 5 215 ? 233.773 199.858 225.995 1 113.05 ? 215 C 1
+10378 O O . LYS E 5 215 ? 234.886 200.32 226.278 1 113.05 ? 215 C 1
+10379 C CB . LYS E 5 215 ? 232.934 199.45 228.326 1 113.05 ? 215 C 1
+10380 N N . PRO E 5 216 ? 233.135 200.215 224.878 1 114 ? 216 C 1
+10381 C CA . PRO E 5 216 ? 233.789 201.124 223.924 1 114 ? 216 C 1
+10382 C C . PRO E 5 216 ? 233.972 202.533 224.456 1 114 ? 216 C 1
+10383 O O . PRO E 5 216 ? 234.993 203.166 224.157 1 114 ? 216 C 1
+10384 C CB . PRO E 5 216 ? 232.844 201.099 222.713 1 114 ? 216 C 1
+10385 C CG . PRO E 5 216 ? 231.973 199.884 222.915 1 114 ? 216 C 1
+10386 C CD . PRO E 5 216 ? 231.819 199.772 224.395 1 114 ? 216 C 1
+10387 N N . GLU E 5 217 ? 232.997 203.048 225.211 1 112.74 ? 217 C 1
+10388 C CA . GLU E 5 217 ? 233.006 204.405 225.753 1 112.74 ? 217 C 1
+10389 C C . GLU E 5 217 ? 232.931 205.451 224.645 1 112.74 ? 217 C 1
+10390 O O . GLU E 5 217 ? 232.945 206.655 224.921 1 112.74 ? 217 C 1
+10391 C CB . GLU E 5 217 ? 234.242 204.639 226.63 1 112.74 ? 217 C 1
+10392 N N . ASP E 5 218 ? 232.849 205.003 223.39 1 110.34 ? 218 C 1
+10393 C CA . ASP E 5 218 ? 232.697 205.935 222.278 1 110.34 ? 218 C 1
+10394 C C . ASP E 5 218 ? 231.228 206.132 221.926 1 110.34 ? 218 C 1
+10395 O O . ASP E 5 218 ? 230.79 207.258 221.666 1 110.34 ? 218 C 1
+10396 C CB . ASP E 5 218 ? 233.48 205.438 221.064 1 110.34 ? 218 C 1
+10397 N N . TRP E 5 219 ? 230.453 205.045 221.91 1 114.03 ? 219 C 1
+10398 C CA . TRP E 5 219 ? 229.023 205.15 221.65 1 114.03 ? 219 C 1
+10399 C C . TRP E 5 219 ? 228.267 205.749 222.828 1 114.03 ? 219 C 1
+10400 O O . TRP E 5 219 ? 227.082 206.071 222.691 1 114.03 ? 219 C 1
+10401 C CB . TRP E 5 219 ? 228.449 203.775 221.306 1 114.03 ? 219 C 1
+10402 N N . ASP E 5 220 ? 228.922 205.905 223.98 1 113.33 ? 220 C 1
+10403 C CA . ASP E 5 220 ? 228.279 206.453 225.176 1 113.33 ? 220 C 1
+10404 C C . ASP E 5 220 ? 228.255 207.981 225.094 1 113.33 ? 220 C 1
+10405 O O . ASP E 5 220 ? 228.741 208.701 225.968 1 113.33 ? 220 C 1
+10406 C CB . ASP E 5 220 ? 228.993 205.968 226.431 1 113.33 ? 220 C 1
+10407 N N . LYS E 5 221 ? 227.668 208.469 224.003 1 118.2 ? 221 C 1
+10408 C CA . LYS E 5 221 ? 227.46 209.879 223.72 1 118.2 ? 221 C 1
+10409 C C . LYS E 5 221 ? 226.208 210.384 224.431 1 118.2 ? 221 C 1
+10410 O O . LYS E 5 221 ? 225.323 209.594 224.776 1 118.2 ? 221 C 1
+10411 C CB . LYS E 5 221 ? 227.325 210.102 222.215 1 118.2 ? 221 C 1
+10412 N N . PRO E 5 222 ? 226.113 211.691 224.68 1 125.05 ? 222 C 1
+10413 C CA . PRO E 5 222 ? 224.897 212.235 225.294 1 125.05 ? 222 C 1
+10414 C C . PRO E 5 222 ? 223.672 211.961 224.433 1 125.05 ? 222 C 1
+10415 O O . PRO E 5 222 ? 223.737 211.979 223.203 1 125.05 ? 222 C 1
+10416 C CB . PRO E 5 222 ? 225.194 213.735 225.396 1 125.05 ? 222 C 1
+10417 C CG . PRO E 5 222 ? 226.684 213.819 225.422 1 125.05 ? 222 C 1
+10418 C CD . PRO E 5 222 ? 227.155 212.72 224.518 1 125.05 ? 222 C 1
+10419 N N . GLU E 5 223 ? 222.544 211.696 225.098 1 125.68 ? 223 C 1
+10420 C CA . GLU E 5 223 ? 221.321 211.351 224.379 1 125.68 ? 223 C 1
+10421 C C . GLU E 5 223 ? 220.845 212.49 223.486 1 125.68 ? 223 C 1
+10422 O O . GLU E 5 223 ? 220.436 212.249 222.345 1 125.68 ? 223 C 1
+10423 C CB . GLU E 5 223 ? 220.224 210.96 225.369 1 125.68 ? 223 C 1
+10424 N N . HIS E 5 224 ? 220.888 213.724 223.979 1 123.33 ? 224 C 1
+10425 C CA . HIS E 5 224 ? 220.46 214.892 223.222 1 123.33 ? 224 C 1
+10426 C C . HIS E 5 224 ? 221.612 215.881 223.131 1 123.33 ? 224 C 1
+10427 O O . HIS E 5 224 ? 222.266 216.174 224.138 1 123.33 ? 224 C 1
+10428 C CB . HIS E 5 224 ? 219.241 215.554 223.871 1 123.33 ? 224 C 1
+10429 N N . ILE E 5 225 ? 221.856 216.389 221.927 1 123.18 ? 225 C 1
+10430 C CA . ILE E 5 225 ? 222.914 217.369 221.693 1 123.18 ? 225 C 1
+10431 C C . ILE E 5 225 ? 222.303 218.574 220.988 1 123.18 ? 225 C 1
+10432 O O . ILE E 5 225 ? 221.283 218.432 220.299 1 123.18 ? 225 C 1
+10433 C CB . ILE E 5 225 ? 224.068 216.766 220.874 1 123.18 ? 225 C 1
+10434 C CG1 . ILE E 5 225 ? 223.577 216.328 219.494 1 123.18 ? 225 C 1
+10435 C CG2 . ILE E 5 225 ? 224.703 215.599 221.617 1 123.18 ? 225 C 1
+10436 C CD1 . ILE E 5 225 ? 223.896 217.314 218.392 1 123.18 ? 225 C 1
+10437 N N . PRO E 5 226 ? 222.874 219.77 221.139 1 125.46 ? 226 C 1
+10438 C CA . PRO E 5 226 ? 222.309 220.946 220.466 1 125.46 ? 226 C 1
+10439 C C . PRO E 5 226 ? 222.305 220.781 218.954 1 125.46 ? 226 C 1
+10440 O O . PRO E 5 226 ? 223.209 220.177 218.372 1 125.46 ? 226 C 1
+10441 C CB . PRO E 5 226 ? 223.237 222.083 220.907 1 125.46 ? 226 C 1
+10442 C CG . PRO E 5 226 ? 223.792 221.619 222.212 1 125.46 ? 226 C 1
+10443 C CD . PRO E 5 226 ? 223.966 220.136 222.058 1 125.46 ? 226 C 1
+10444 N N . ASP E 5 227 ? 221.269 221.32 218.324 1 126.94 ? 227 C 1
+10445 C CA . ASP E 5 227 ? 221.14 221.221 216.876 1 126.94 ? 227 C 1
+10446 C C . ASP E 5 227 ? 222.268 221.991 216.199 1 126.94 ? 227 C 1
+10447 O O . ASP E 5 227 ? 222.56 223.126 216.593 1 126.94 ? 227 C 1
+10448 C CB . ASP E 5 227 ? 219.785 221.76 216.422 1 126.94 ? 227 C 1
+10449 N N . PRO E 5 228 ? 222.934 221.409 215.198 1 130.28 ? 228 C 1
+10450 C CA . PRO E 5 228 ? 224.012 222.14 214.513 1 130.28 ? 228 C 1
+10451 C C . PRO E 5 228 ? 223.551 223.429 213.855 1 130.28 ? 228 C 1
+10452 O O . PRO E 5 228 ? 224.324 224.393 213.794 1 130.28 ? 228 C 1
+10453 C CB . PRO E 5 228 ? 224.513 221.125 213.475 1 130.28 ? 228 C 1
+10454 C CG . PRO E 5 228 ? 224.134 219.792 214.043 1 130.28 ? 228 C 1
+10455 C CD . PRO E 5 228 ? 222.817 220.02 214.722 1 130.28 ? 228 C 1
+10456 N N . ASP E 5 229 ? 222.319 223.477 213.363 1 121.98 ? 229 C 1
+10457 C CA . ASP E 5 229 ? 221.786 224.658 212.682 1 121.98 ? 229 C 1
+10458 C C . ASP E 5 229 ? 220.825 225.429 213.579 1 121.98 ? 229 C 1
+10459 O O . ASP E 5 229 ? 219.816 225.968 213.124 1 121.98 ? 229 C 1
+10460 C CB . ASP E 5 229 ? 221.108 224.25 211.38 1 121.98 ? 229 C 1
+10461 N N . ALA E 5 230 ? 221.133 225.491 214.874 1 116.57 ? 230 C 1
+10462 C CA . ALA E 5 230 ? 220.278 226.177 215.843 1 116.57 ? 230 C 1
+10463 C C . ALA E 5 230 ? 220.535 227.683 215.779 1 116.57 ? 230 C 1
+10464 O O . ALA E 5 230 ? 221.182 228.285 216.639 1 116.57 ? 230 C 1
+10465 C CB . ALA E 5 230 ? 220.511 225.624 217.243 1 116.57 ? 230 C 1
+10466 N N . LYS E 5 231 ? 220.005 228.291 214.721 1 111.51 ? 231 C 1
+10467 C CA . LYS E 5 231 ? 220.127 229.73 214.523 1 111.51 ? 231 C 1
+10468 C C . LYS E 5 231 ? 218.936 230.433 215.163 1 111.51 ? 231 C 1
+10469 O O . LYS E 5 231 ? 217.786 230.191 214.782 1 111.51 ? 231 C 1
+10470 C CB . LYS E 5 231 ? 220.212 230.057 213.034 1 111.51 ? 231 C 1
+10471 N N . LYS E 5 232 ? 219.211 231.299 216.136 1 108.93 ? 232 C 1
+10472 C CA . LYS E 5 232 ? 218.145 232.018 216.811 1 108.93 ? 232 C 1
+10473 C C . LYS E 5 232 ? 217.472 233.002 215.855 1 108.93 ? 232 C 1
+10474 O O . LYS E 5 232 ? 218.133 233.617 215.014 1 108.93 ? 232 C 1
+10475 C CB . LYS E 5 232 ? 218.687 232.76 218.03 1 108.93 ? 232 C 1
+10476 C CG . LYS E 5 232 ? 219.734 233.815 217.712 1 108.93 ? 232 C 1
+10477 C CD . LYS E 5 232 ? 220.188 234.539 218.968 1 108.93 ? 232 C 1
+10478 C CE . LYS E 5 232 ? 221.239 235.589 218.647 1 108.93 ? 232 C 1
+10479 N NZ . LYS E 5 232 ? 222.498 234.975 218.142 1 108.93 ? 232 C 1
+10480 N N . PRO E 5 233 ? 216.152 233.156 215.952 1 111.65 ? 233 C 1
+10481 C CA . PRO E 5 233 ? 215.463 234.14 215.106 1 111.65 ? 233 C 1
+10482 C C . PRO E 5 233 ? 215.814 235.558 215.53 1 111.65 ? 233 C 1
+10483 O O . PRO E 5 233 ? 215.989 235.842 216.717 1 111.65 ? 233 C 1
+10484 C CB . PRO E 5 233 ? 213.979 233.828 215.335 1 111.65 ? 233 C 1
+10485 C CG . PRO E 5 233 ? 213.937 233.202 216.687 1 111.65 ? 233 C 1
+10486 C CD . PRO E 5 233 ? 215.219 232.426 216.828 1 111.65 ? 233 C 1
+10487 N N . GLU E 5 234 ? 215.92 236.45 214.543 1 113.99 ? 234 C 1
+10488 C CA . GLU E 5 234 ? 216.252 237.84 214.838 1 113.99 ? 234 C 1
+10489 C C . GLU E 5 234 ? 215.13 238.537 215.595 1 113.99 ? 234 C 1
+10490 O O . GLU E 5 234 ? 215.397 239.405 216.435 1 113.99 ? 234 C 1
+10491 C CB . GLU E 5 234 ? 216.568 238.592 213.545 1 113.99 ? 234 C 1
+10492 N N . ASP E 5 235 ? 213.877 238.175 215.318 1 110.29 ? 235 C 1
+10493 C CA . ASP E 5 235 ? 212.741 238.777 216.004 1 110.29 ? 235 C 1
+10494 C C . ASP E 5 235 ? 212.632 238.347 217.459 1 110.29 ? 235 C 1
+10495 O O . ASP E 5 235 ? 211.86 238.958 218.207 1 110.29 ? 235 C 1
+10496 C CB . ASP E 5 235 ? 211.444 238.434 215.267 1 110.29 ? 235 C 1
+10497 N N . TRP E 5 236 ? 213.374 237.326 217.878 1 106.36 ? 236 C 1
+10498 C CA . TRP E 5 236 ? 213.325 236.858 219.256 1 106.36 ? 236 C 1
+10499 C C . TRP E 5 236 ? 213.981 237.886 220.169 1 106.36 ? 236 C 1
+10500 O O . TRP E 5 236 ? 215.071 238.386 219.87 1 106.36 ? 236 C 1
+10501 C CB . TRP E 5 236 ? 214.019 235.505 219.388 1 106.36 ? 236 C 1
+10502 N N . ASP E 5 237 ? 213.318 238.2 221.275 1 107.05 ? 237 C 1
+10503 C CA . ASP E 5 237 ? 213.85 239.097 222.294 1 107.05 ? 237 C 1
+10504 C C . ASP E 5 237 ? 214.034 238.291 223.573 1 107.05 ? 237 C 1
+10505 O O . ASP E 5 237 ? 213.054 237.842 224.177 1 107.05 ? 237 C 1
+10506 C CB . ASP E 5 237 ? 212.923 240.289 222.515 1 107.05 ? 237 C 1
+10507 C CG . ASP E 5 237 ? 212.947 241.268 221.359 1 107.05 ? 237 C 1
+10508 O OD1 . ASP E 5 237 ? 213.878 241.187 220.531 1 107.05 ? 237 C 1
+10509 O OD2 . ASP E 5 237 ? 212.035 242.117 221.277 1 107.05 ? 237 C 1
+10510 N N . GLU E 5 238 ? 215.292 238.1 223.979 1 107.81 ? 238 C 1
+10511 C CA . GLU E 5 238 ? 215.564 237.359 225.206 1 107.81 ? 238 C 1
+10512 C C . GLU E 5 238 ? 215.004 238.075 226.427 1 107.81 ? 238 C 1
+10513 O O . GLU E 5 238 ? 214.742 237.437 227.453 1 107.81 ? 238 C 1
+10514 C CB . GLU E 5 238 ? 217.067 237.135 225.363 1 107.81 ? 238 C 1
+10515 C CG . GLU E 5 238 ? 217.669 236.23 224.304 1 107.81 ? 238 C 1
+10516 C CD . GLU E 5 238 ? 219.17 236.087 224.449 1 107.81 ? 238 C 1
+10517 O OE1 . GLU E 5 238 ? 219.768 236.854 225.233 1 107.81 ? 238 C 1
+10518 O OE2 . GLU E 5 238 ? 219.753 235.209 223.779 1 107.81 ? 238 C 1
+10519 N N . GLU E 5 239 ? 214.822 239.395 226.34 1 107.11 ? 239 C 1
+10520 C CA . GLU E 5 239 ? 214.213 240.132 227.441 1 107.11 ? 239 C 1
+10521 C C . GLU E 5 239 ? 212.791 239.661 227.713 1 107.11 ? 239 C 1
+10522 O O . GLU E 5 239 ? 212.414 239.476 228.876 1 107.11 ? 239 C 1
+10523 C CB . GLU E 5 239 ? 214.228 241.631 227.143 1 107.11 ? 239 C 1
+10524 N N . MET E 5 240 ? 211.989 239.462 226.665 1 107.95 ? 240 C 1
+10525 C CA . MET E 5 240 ? 210.623 238.995 226.869 1 107.95 ? 240 C 1
+10526 C C . MET E 5 240 ? 210.56 237.479 227.011 1 107.95 ? 240 C 1
+10527 O O . MET E 5 240 ? 209.729 236.958 227.765 1 107.95 ? 240 C 1
+10528 C CB . MET E 5 240 ? 209.717 239.481 225.73 1 107.95 ? 240 C 1
+10529 C CG . MET E 5 240 ? 209.487 240.987 225.63 1 107.95 ? 240 C 1
+10530 S SD . MET E 5 240 ? 208.722 241.74 227.082 1 107.95 ? 240 C 1
+10531 C CE . MET E 5 240 ? 207.093 241.006 227.032 1 107.95 ? 240 C 1
+10532 N N . ASP E 5 241 ? 211.422 236.757 226.297 1 102.72 ? 241 C 1
+10533 C CA . ASP E 5 241 ? 211.428 235.3 226.334 1 102.72 ? 241 C 1
+10534 C C . ASP E 5 241 ? 212.216 234.739 227.509 1 102.72 ? 241 C 1
+10535 O O . ASP E 5 241 ? 212.269 233.515 227.669 1 102.72 ? 241 C 1
+10536 C CB . ASP E 5 241 ? 211.994 234.743 225.024 1 102.72 ? 241 C 1
+10537 N N . GLY E 5 242 ? 212.824 235.593 228.326 1 103.21 ? 242 C 1
+10538 C CA . GLY E 5 242 ? 213.61 235.135 229.453 1 103.21 ? 242 C 1
+10539 C C . GLY E 5 242 ? 215.023 234.755 229.063 1 103.21 ? 242 C 1
+10540 O O . GLY E 5 242 ? 215.969 235.503 229.327 1 103.21 ? 242 C 1
+10541 N N . GLU E 5 243 ? 215.178 233.593 228.432 1 108.6 ? 243 C 1
+10542 C CA . GLU E 5 243 ? 216.49 233.138 227.987 1 108.6 ? 243 C 1
+10543 C C . GLU E 5 243 ? 216.363 232.17 226.819 1 108.6 ? 243 C 1
+10544 O O . GLU E 5 243 ? 215.983 231.009 227.007 1 108.6 ? 243 C 1
+10545 C CB . GLU E 5 243 ? 217.248 232.48 229.142 1 108.6 ? 243 C 1
+10546 N N . TRP E 5 244 ? 216.672 232.634 225.61 1 112.72 ? 244 C 1
+10547 C CA . TRP E 5 244 ? 216.645 231.752 224.453 1 112.72 ? 244 C 1
+10548 C C . TRP E 5 244 ? 217.745 230.704 224.562 1 112.72 ? 244 C 1
+10549 O O . TRP E 5 244 ? 218.852 230.986 225.03 1 112.72 ? 244 C 1
+10550 C CB . TRP E 5 244 ? 216.809 232.554 223.16 1 112.72 ? 244 C 1
+10551 C CG . TRP E 5 244 ? 216.745 231.701 221.926 1 112.72 ? 244 C 1
+10552 C CD1 . TRP E 5 244 ? 215.637 231.419 221.182 1 112.72 ? 244 C 1
+10553 C CD2 . TRP E 5 244 ? 217.835 231.012 221.3 1 112.72 ? 244 C 1
+10554 N NE1 . TRP E 5 244 ? 215.97 230.6 220.13 1 112.72 ? 244 C 1
+10555 C CE2 . TRP E 5 244 ? 217.313 230.336 220.18 1 112.72 ? 244 C 1
+10556 C CE3 . TRP E 5 244 ? 219.201 230.903 221.577 1 112.72 ? 244 C 1
+10557 C CZ2 . TRP E 5 244 ? 218.108 229.56 219.339 1 112.72 ? 244 C 1
+10558 C CZ3 . TRP E 5 244 ? 219.989 230.134 220.74 1 112.72 ? 244 C 1
+10559 C CH2 . TRP E 5 244 ? 219.44 229.475 219.633 1 112.72 ? 244 C 1
+10560 N N . GLU E 5 245 ? 217.435 229.489 224.126 1 109.18 ? 245 C 1
+10561 C CA . GLU E 5 245 ? 218.376 228.383 224.163 1 109.18 ? 245 C 1
+10562 C C . GLU E 5 245 ? 218.408 227.683 222.814 1 109.18 ? 245 C 1
+10563 O O . GLU E 5 245 ? 217.41 227.682 222.086 1 109.18 ? 245 C 1
+10564 C CB . GLU E 5 245 ? 217.998 227.373 225.257 1 109.18 ? 245 C 1
+10565 N N . PRO E 5 246 ? 219.54 227.087 222.451 1 112.49 ? 246 C 1
+10566 C CA . PRO E 5 246 ? 219.609 226.329 221.201 1 112.49 ? 246 C 1
+10567 C C . PRO E 5 246 ? 218.82 225.037 221.309 1 112.49 ? 246 C 1
+10568 O O . PRO E 5 246 ? 218.993 224.274 222.271 1 112.49 ? 246 C 1
+10569 C CB . PRO E 5 246 ? 221.111 226.055 221.034 1 112.49 ? 246 C 1
+10570 C CG . PRO E 5 246 ? 221.658 226.11 222.415 1 112.49 ? 246 C 1
+10571 C CD . PRO E 5 246 ? 220.837 227.132 223.148 1 112.49 ? 246 C 1
+10572 N N . PRO E 5 247 ? 217.931 224.768 220.355 1 115.75 ? 247 C 1
+10573 C CA . PRO E 5 247 ? 217.186 223.504 220.377 1 115.75 ? 247 C 1
+10574 C C . PRO E 5 247 ? 218.128 222.31 220.319 1 115.75 ? 247 C 1
+10575 O O . PRO E 5 247 ? 219.14 222.326 219.615 1 115.75 ? 247 C 1
+10576 C CB . PRO E 5 247 ? 216.307 223.589 219.126 1 115.75 ? 247 C 1
+10577 C CG . PRO E 5 247 ? 216.164 225.046 218.859 1 115.75 ? 247 C 1
+10578 C CD . PRO E 5 247 ? 217.446 225.685 219.309 1 115.75 ? 247 C 1
+10579 N N . VAL E 5 248 ? 217.788 221.266 221.07 1 122.14 ? 248 C 1
+10580 C CA . VAL E 5 248 ? 218.585 220.048 221.112 1 122.14 ? 248 C 1
+10581 C C . VAL E 5 248 ? 217.765 218.908 220.527 1 122.14 ? 248 C 1
+10582 O O . VAL E 5 248 ? 216.538 218.862 220.657 1 122.14 ? 248 C 1
+10583 C CB . VAL E 5 248 ? 219.063 219.708 222.544 1 122.14 ? 248 C 1
+10584 C CG1 . VAL E 5 248 ? 219.864 220.864 223.125 1 122.14 ? 248 C 1
+10585 C CG2 . VAL E 5 248 ? 217.89 219.363 223.445 1 122.14 ? 248 C 1
+10586 N N . ILE E 5 249 ? 218.458 217.99 219.856 1 122.39 ? 249 C 1
+10587 C CA . ILE E 5 249 ? 217.845 216.836 219.209 1 122.39 ? 249 C 1
+10588 C C . ILE E 5 249 ? 218.696 215.609 219.511 1 122.39 ? 249 C 1
+10589 O O . ILE E 5 249 ? 219.84 215.714 219.959 1 122.39 ? 249 C 1
+10590 C CB . ILE E 5 249 ? 217.7 217.029 217.683 1 122.39 ? 249 C 1
+10591 C CG1 . ILE E 5 249 ? 219.051 217.383 217.059 1 122.39 ? 249 C 1
+10592 C CG2 . ILE E 5 249 ? 216.659 218.095 217.371 1 122.39 ? 249 C 1
+10593 C CD1 . ILE E 5 249 ? 219.044 217.383 215.546 1 122.39 ? 249 C 1
+10594 N N . GLN E 5 250 ? 218.124 214.431 219.269 1 124.47 ? 250 C 1
+10595 C CA . GLN E 5 250 ? 218.857 213.19 219.476 1 124.47 ? 250 C 1
+10596 C C . GLN E 5 250 ? 220.041 213.111 218.52 1 124.47 ? 250 C 1
+10597 O O . GLN E 5 250 ? 219.908 213.374 217.322 1 124.47 ? 250 C 1
+10598 C CB . GLN E 5 250 ? 217.931 211.99 219.277 1 124.47 ? 250 C 1
+10599 N N . ASN E 5 251 ? 221.219 212.801 219.075 1 126.63 ? 251 C 1
+10600 C CA . ASN E 5 251 ? 222.465 212.758 218.263 1 126.63 ? 251 C 1
+10601 C C . ASN E 5 251 ? 222.466 211.507 217.379 1 126.63 ? 251 C 1
+10602 O O . ASN E 5 251 ? 222.035 210.441 217.862 1 126.63 ? 251 C 1
+10603 C CB . ASN E 5 251 ? 223.705 212.792 219.16 1 126.63 ? 251 C 1
+10604 C CG . ASN E 5 251 ? 224.986 213.067 218.403 1 126.63 ? 251 C 1
+10605 O OD1 . ASN E 5 251 ? 225.064 214.016 217.627 1 126.63 ? 251 C 1
+10606 N ND2 . ASN E 5 251 ? 226.002 212.253 218.637 1 126.63 ? 251 C 1
+10607 N N . PRO E 5 252 ? 222.94 211.587 216.116 1 125.86 ? 252 C 1
+10608 C CA . PRO E 5 252 ? 223.012 210.412 215.234 1 125.86 ? 252 C 1
+10609 C C . PRO E 5 252 ? 223.884 209.296 215.783 1 125.86 ? 252 C 1
+10610 O O . PRO E 5 252 ? 223.762 208.149 215.335 1 125.86 ? 252 C 1
+10611 C CB . PRO E 5 252 ? 223.59 210.988 213.933 1 125.86 ? 252 C 1
+10612 C CG . PRO E 5 252 ? 223.287 212.454 213.995 1 125.86 ? 252 C 1
+10613 C CD . PRO E 5 252 ? 223.407 212.811 215.445 1 125.86 ? 252 C 1
+10614 N N . GLU E 5 253 ? 224.761 209.596 216.738 1 121.87 ? 253 C 1
+10615 C CA . GLU E 5 253 ? 225.718 208.629 217.257 1 121.87 ? 253 C 1
+10616 C C . GLU E 5 253 ? 225.177 207.813 218.424 1 121.87 ? 253 C 1
+10617 O O . GLU E 5 253 ? 225.92 207.003 218.987 1 121.87 ? 253 C 1
+10618 C CB . GLU E 5 253 ? 227.005 209.343 217.687 1 121.87 ? 253 C 1
+10619 N N . TYR E 5 254 ? 223.916 208.007 218.805 1 126.91 ? 254 C 1
+10620 C CA . TYR E 5 254 ? 223.347 207.234 219.9 1 126.91 ? 254 C 1
+10621 C C . TYR E 5 254 ? 223.225 205.766 219.511 1 126.91 ? 254 C 1
+10622 O O . TYR E 5 254 ? 222.878 205.432 218.375 1 126.91 ? 254 C 1
+10623 C CB . TYR E 5 254 ? 221.977 207.789 220.289 1 126.91 ? 254 C 1
+10624 C CG . TYR E 5 254 ? 221.336 207.065 221.451 1 126.91 ? 254 C 1
+10625 C CD1 . TYR E 5 254 ? 221.771 207.278 222.752 1 126.91 ? 254 C 1
+10626 C CD2 . TYR E 5 254 ? 220.298 206.165 221.247 1 126.91 ? 254 C 1
+10627 C CE1 . TYR E 5 254 ? 221.191 206.618 223.817 1 126.91 ? 254 C 1
+10628 C CE2 . TYR E 5 254 ? 219.711 205.5 222.306 1 126.91 ? 254 C 1
+10629 C CZ . TYR E 5 254 ? 220.161 205.73 223.589 1 126.91 ? 254 C 1
+10630 O OH . TYR E 5 254 ? 219.58 205.071 224.648 1 126.91 ? 254 C 1
+10631 N N . LYS E 5 255 ? 223.515 204.887 220.466 1 118.74 ? 255 C 1
+10632 C CA . LYS E 5 255 ? 223.442 203.448 220.251 1 118.74 ? 255 C 1
+10633 C C . LYS E 5 255 ? 222.829 202.811 221.493 1 118.74 ? 255 C 1
+10634 O O . LYS E 5 255 ? 222.363 203.501 222.405 1 118.74 ? 255 C 1
+10635 C CB . LYS E 5 255 ? 224.828 202.876 219.926 1 118.74 ? 255 C 1
+10636 N N . GLY E 5 256 ? 222.829 201.481 221.528 1 114.47 ? 256 C 1
+10637 C CA . GLY E 5 256 ? 222.289 200.758 222.661 1 114.47 ? 256 C 1
+10638 C C . GLY E 5 256 ? 223.273 200.641 223.806 1 114.47 ? 256 C 1
+10639 O O . GLY E 5 256 ? 223.81 199.558 224.062 1 114.47 ? 256 C 1
+10640 N N . GLU E 5 257 ? 223.505 201.754 224.505 1 113.68 ? 257 C 1
+10641 C CA . GLU E 5 257 ? 224.457 201.822 225.61 1 113.68 ? 257 C 1
+10642 C C . GLU E 5 257 ? 225.821 201.279 225.201 1 113.68 ? 257 C 1
+10643 O O . GLU E 5 257 ? 226.468 201.823 224.3 1 113.68 ? 257 C 1
+10644 C CB . GLU E 5 257 ? 223.923 201.059 226.825 1 113.68 ? 257 C 1
+10645 N N . TRP E 5 258 ? 226.264 200.207 225.856 1 119.16 ? 258 C 1
+10646 C CA . TRP E 5 258 ? 227.548 199.576 225.55 1 119.16 ? 258 C 1
+10647 C C . TRP E 5 258 ? 227.34 198.065 225.568 1 119.16 ? 258 C 1
+10648 O O . TRP E 5 258 ? 227.464 197.429 226.619 1 119.16 ? 258 C 1
+10649 C CB . TRP E 5 258 ? 228.625 200.002 226.541 1 119.16 ? 258 C 1
+10650 N N . LYS E 5 259 ? 227.025 197.498 224.406 1 123.41 ? 259 C 1
+10651 C CA . LYS E 5 259 ? 226.84 196.058 224.288 1 123.41 ? 259 C 1
+10652 C C . LYS E 5 259 ? 228.157 195.413 223.88 1 123.41 ? 259 C 1
+10653 O O . LYS E 5 259 ? 228.643 195.675 222.771 1 123.41 ? 259 C 1
+10654 C CB . LYS E 5 259 ? 225.763 195.736 223.266 1 123.41 ? 259 C 1
+10655 N N . PRO E 5 260 ? 228.765 194.572 224.727 1 129.14 ? 260 C 1
+10656 C CA . PRO E 5 260 ? 230.066 193.97 224.413 1 129.14 ? 260 C 1
+10657 C C . PRO E 5 260 ? 229.958 192.718 223.544 1 129.14 ? 260 C 1
+10658 O O . PRO E 5 260 ? 230.595 191.693 223.814 1 129.14 ? 260 C 1
+10659 C CB . PRO E 5 260 ? 230.633 193.655 225.8 1 129.14 ? 260 C 1
+10660 C CG . PRO E 5 260 ? 229.423 193.362 226.628 1 129.14 ? 260 C 1
+10661 C CD . PRO E 5 260 ? 228.279 194.175 226.06 1 129.14 ? 260 C 1
+10662 N N . ARG E 5 261 ? 229.153 192.798 222.486 1 126.53 ? 261 C 1
+10663 C CA . ARG E 5 261 ? 228.988 191.72 221.512 1 126.53 ? 261 C 1
+10664 C C . ARG E 5 261 ? 228.588 190.411 222.194 1 126.53 ? 261 C 1
+10665 O O . ARG E 5 261 ? 229.307 189.411 222.163 1 126.53 ? 261 C 1
+10666 C CB . ARG E 5 261 ? 230.261 191.541 220.679 1 126.53 ? 261 C 1
+10667 N N . GLN E 5 262 ? 227.413 190.435 222.817 1 123.64 ? 262 C 1
+10668 C CA . GLN E 5 262 ? 226.884 189.26 223.505 1 123.64 ? 262 C 1
+10669 C C . GLN E 5 262 ? 226.529 188.205 222.466 1 123.64 ? 262 C 1
+10670 O O . GLN E 5 262 ? 225.508 188.303 221.783 1 123.64 ? 262 C 1
+10671 C CB . GLN E 5 262 ? 225.671 189.638 224.348 1 123.64 ? 262 C 1
+10672 N N . ILE E 5 263 ? 227.375 187.183 222.347 1 117.96 ? 263 C 1
+10673 C CA . ILE E 5 263 ? 227.21 186.134 221.353 1 117.96 ? 263 C 1
+10674 C C . ILE E 5 263 ? 226.647 184.893 222.037 1 117.96 ? 263 C 1
+10675 O O . ILE E 5 263 ? 226.75 184.721 223.252 1 117.96 ? 263 C 1
+10676 C CB . ILE E 5 263 ? 228.526 185.807 220.622 1 117.96 ? 263 C 1
+10677 N N . ASP E 5 264 ? 226.049 184.023 221.231 1 115.68 ? 264 C 1
+10678 C CA . ASP E 5 264 ? 225.391 182.825 221.718 1 115.68 ? 264 C 1
+10679 C C . ASP E 5 264 ? 226.324 181.618 221.576 1 115.68 ? 264 C 1
+10680 O O . ASP E 5 264 ? 227.471 181.75 221.133 1 115.68 ? 264 C 1
+10681 C CB . ASP E 5 264 ? 224.067 182.636 220.966 1 115.68 ? 264 C 1
+10682 N N . ASN E 5 265 ? 225.829 180.439 221.947 1 117.12 ? 265 C 1
+10683 C CA . ASN E 5 265 ? 226.577 179.189 221.884 1 117.12 ? 265 C 1
+10684 C C . ASN E 5 265 ? 227.941 179.28 222.571 1 117.12 ? 265 C 1
+10685 O O . ASN E 5 265 ? 228.931 178.727 222.073 1 117.12 ? 265 C 1
+10686 C CB . ASN E 5 265 ? 226.74 178.736 220.44 1 117.12 ? 265 C 1
+10687 N N . PRO E 5 266 ? 228.035 179.966 223.709 1 120.67 ? 266 C 1
+10688 C CA . PRO E 5 266 ? 229.261 179.882 224.512 1 120.67 ? 266 C 1
+10689 C C . PRO E 5 266 ? 229.133 178.847 225.617 1 120.67 ? 266 C 1
+10690 O O . PRO E 5 266 ? 228.101 178.793 226.295 1 120.67 ? 266 C 1
+10691 C CB . PRO E 5 266 ? 229.411 181.3 225.076 1 120.67 ? 266 C 1
+10692 N N . ASP E 5 267 ? 230.18 178.044 225.825 1 118.72 ? 267 C 1
+10693 C CA . ASP E 5 267 ? 230.203 176.999 226.853 1 118.72 ? 267 C 1
+10694 C C . ASP E 5 267 ? 228.931 176.154 226.847 1 118.72 ? 267 C 1
+10695 O O . ASP E 5 267 ? 228.452 175.733 227.905 1 118.72 ? 267 C 1
+10696 C CB . ASP E 5 267 ? 230.434 177.599 228.244 1 118.72 ? 267 C 1
+10697 N N . TYR E 5 268 ? 228.371 175.9 225.667 1 122.72 ? 268 C 1
+10698 C CA . TYR E 5 268 ? 227.081 175.232 225.565 1 122.72 ? 268 C 1
+10699 C C . TYR E 5 268 ? 227.234 173.735 225.799 1 122.72 ? 268 C 1
+10700 O O . TYR E 5 268 ? 228 173.061 225.103 1 122.72 ? 268 C 1
+10701 C CB . TYR E 5 268 ? 226.455 175.491 224.195 1 122.72 ? 268 C 1
+10702 N N . LYS E 5 269 ? 226.5 173.218 226.781 1 126.64 ? 269 C 1
+10703 C CA . LYS E 5 269 ? 226.471 171.791 227.071 1 126.64 ? 269 C 1
+10704 C C . LYS E 5 269 ? 225.326 171.072 226.372 1 126.64 ? 269 C 1
+10705 O O . LYS E 5 269 ? 225.153 169.866 226.578 1 126.64 ? 269 C 1
+10706 C CB . LYS E 5 269 ? 226.377 171.562 228.583 1 126.64 ? 269 C 1
+10707 N N . GLY E 5 270 ? 224.546 171.777 225.556 1 121.63 ? 270 C 1
+10708 C CA . GLY E 5 270 ? 223.419 171.178 224.872 1 121.63 ? 270 C 1
+10709 C C . GLY E 5 270 ? 222.134 171.282 225.666 1 121.63 ? 270 C 1
+10710 O O . GLY E 5 270 ? 222.107 171.634 226.849 1 121.63 ? 270 C 1
+10711 N N . THR E 5 271 ? 221.036 170.964 224.985 1 118.59 ? 271 C 1
+10712 C CA . THR E 5 271 ? 219.724 171.005 225.616 1 118.59 ? 271 C 1
+10713 C C . THR E 5 271 ? 219.602 169.892 226.648 1 118.59 ? 271 C 1
+10714 O O . THR E 5 271 ? 219.913 168.731 226.363 1 118.59 ? 271 C 1
+10715 C CB . THR E 5 271 ? 218.626 170.876 224.561 1 118.59 ? 271 C 1
+10716 N N . TRP E 5 272 ? 219.149 170.247 227.847 1 113.51 ? 272 C 1
+10717 C CA . TRP E 5 272 ? 219.006 169.276 228.921 1 113.51 ? 272 C 1
+10718 C C . TRP E 5 272 ? 217.689 168.523 228.789 1 113.51 ? 272 C 1
+10719 O O . TRP E 5 272 ? 216.662 169.096 228.417 1 113.51 ? 272 C 1
+10720 C CB . TRP E 5 272 ? 219.081 169.968 230.282 1 113.51 ? 272 C 1
+10721 N N . ILE E 5 273 ? 217.727 167.228 229.1 1 108.57 ? 273 C 1
+10722 C CA . ILE E 5 273 ? 216.545 166.378 229.04 1 108.57 ? 273 C 1
+10723 C C . ILE E 5 273 ? 216.543 165.475 230.263 1 108.57 ? 273 C 1
+10724 O O . ILE E 5 273 ? 217.588 165.211 230.864 1 108.57 ? 273 C 1
+10725 C CB . ILE E 5 273 ? 216.5 165.547 227.736 1 108.57 ? 273 C 1
+10726 N N . HIS E 5 274 ? 215.36 165.004 230.632 1 105.43 ? 274 C 1
+10727 C CA . HIS E 5 274 ? 215.228 164.118 231.777 1 105.43 ? 274 C 1
+10728 C C . HIS E 5 274 ? 215.754 162.731 231.425 1 105.43 ? 274 C 1
+10729 O O . HIS E 5 274 ? 215.259 162.115 230.468 1 105.43 ? 274 C 1
+10730 C CB . HIS E 5 274 ? 213.77 164.034 232.222 1 105.43 ? 274 C 1
+10731 N N . PRO E 5 275 ? 216.746 162.212 232.146 1 109.56 ? 275 C 1
+10732 C CA . PRO E 5 275 ? 217.234 160.855 231.864 1 109.56 ? 275 C 1
+10733 C C . PRO E 5 275 ? 216.14 159.819 232.08 1 109.56 ? 275 C 1
+10734 O O . PRO E 5 275 ? 215.324 159.933 232.998 1 109.56 ? 275 C 1
+10735 C CB . PRO E 5 275 ? 218.389 160.679 232.857 1 109.56 ? 275 C 1
+10736 C CG . PRO E 5 275 ? 218.788 162.073 233.233 1 109.56 ? 275 C 1
+10737 C CD . PRO E 5 275 ? 217.521 162.866 233.212 1 109.56 ? 275 C 1
+10738 N N . GLU E 5 276 ? 216.132 158.802 231.225 1 112.8 ? 276 C 1
+10739 C CA . GLU E 5 276 ? 215.12 157.761 231.296 1 112.8 ? 276 C 1
+10740 C C . GLU E 5 276 ? 215.626 156.566 232.094 1 112.8 ? 276 C 1
+10741 O O . GLU E 5 276 ? 216.815 156.237 232.081 1 112.8 ? 276 C 1
+10742 C CB . GLU E 5 276 ? 214.711 157.314 229.892 1 112.8 ? 276 C 1
+10743 N N . ILE E 5 277 ? 214.701 155.916 232.797 1 116.36 ? 277 C 1
+10744 C CA . ILE E 5 277 ? 214.997 154.735 233.594 1 116.36 ? 277 C 1
+10745 C C . ILE E 5 277 ? 213.982 153.654 233.257 1 116.36 ? 277 C 1
+10746 O O . ILE E 5 277 ? 212.918 153.925 232.691 1 116.36 ? 277 C 1
+10747 C CB . ILE E 5 277 ? 214.986 155.041 235.108 1 116.36 ? 277 C 1
+10748 N N . ASP E 5 278 ? 214.324 152.415 233.604 1 119.36 ? 278 C 1
+10749 C CA . ASP E 5 278 ? 213.438 151.285 233.358 1 119.36 ? 278 C 1
+10750 C C . ASP E 5 278 ? 212.115 151.476 234.084 1 119.36 ? 278 C 1
+10751 O O . ASP E 5 278 ? 212.077 151.582 235.314 1 119.36 ? 278 C 1
+10752 C CB . ASP E 5 278 ? 214.111 149.987 233.808 1 119.36 ? 278 C 1
+10753 N N . ASN E 5 279 ? 211.033 151.524 233.318 1 120.81 ? 279 C 1
+10754 C CA . ASN E 5 279 ? 209.715 151.734 233.903 1 120.81 ? 279 C 1
+10755 C C . ASN E 5 279 ? 209.303 150.513 234.717 1 120.81 ? 279 C 1
+10756 O O . ASN E 5 279 ? 209.374 149.385 234.213 1 120.81 ? 279 C 1
+10757 C CB . ASN E 5 279 ? 208.686 152.014 232.81 1 120.81 ? 279 C 1
+10758 N N . PRO E 5 280 ? 208.874 150.687 235.968 1 117.67 ? 280 C 1
+10759 C CA . PRO E 5 280 ? 208.437 149.525 236.758 1 117.67 ? 280 C 1
+10760 C C . PRO E 5 280 ? 207.124 148.935 236.281 1 117.67 ? 280 C 1
+10761 O O . PRO E 5 280 ? 206.792 147.808 236.668 1 117.67 ? 280 C 1
+10762 C CB . PRO E 5 280 ? 208.32 150.081 238.186 1 117.67 ? 280 C 1
+10763 C CG . PRO E 5 280 ? 208.508 151.574 238.085 1 117.67 ? 280 C 1
+10764 C CD . PRO E 5 280 ? 208.604 151.964 236.647 1 117.67 ? 280 C 1
+10765 N N . GLU E 5 281 ? 206.369 149.655 235.456 1 120.22 ? 281 C 1
+10766 C CA . GLU E 5 281 ? 205.124 149.151 234.896 1 120.22 ? 281 C 1
+10767 C C . GLU E 5 281 ? 205.343 148.288 233.661 1 120.22 ? 281 C 1
+10768 O O . GLU E 5 281 ? 204.371 147.755 233.115 1 120.22 ? 281 C 1
+10769 C CB . GLU E 5 281 ? 204.189 150.315 234.552 1 120.22 ? 281 C 1
+10770 N N . TYR E 5 282 ? 206.586 148.143 233.208 1 120.64 ? 282 C 1
+10771 C CA . TYR E 5 282 ? 206.876 147.305 232.052 1 120.64 ? 282 C 1
+10772 C C . TYR E 5 282 ? 206.63 145.842 232.387 1 120.64 ? 282 C 1
+10773 O O . TYR E 5 282 ? 207.142 145.33 233.388 1 120.64 ? 282 C 1
+10774 C CB . TYR E 5 282 ? 208.322 147.512 231.606 1 120.64 ? 282 C 1
+10775 N N . SER E 5 283 ? 205.846 145.168 231.55 1 118.64 ? 283 C 1
+10776 C CA . SER E 5 283 ? 205.605 143.743 231.735 1 118.64 ? 283 C 1
+10777 C C . SER E 5 283 ? 205.246 143.067 230.416 1 118.64 ? 283 C 1
+10778 O O . SER E 5 283 ? 204.114 142.592 230.257 1 118.64 ? 283 C 1
+10779 C CB . SER E 5 283 ? 204.493 143.52 232.761 1 118.64 ? 283 C 1
+10780 N N . PRO E 5 284 ? 206.16 143.004 229.45 1 119.71 ? 284 C 1
+10781 C CA . PRO E 5 284 ? 205.881 142.251 228.225 1 119.71 ? 284 C 1
+10782 C C . PRO E 5 284 ? 205.802 140.759 228.5 1 119.71 ? 284 C 1
+10783 O O . PRO E 5 284 ? 206.425 140.235 229.427 1 119.71 ? 284 C 1
+10784 C CB . PRO E 5 284 ? 207.078 142.583 227.322 1 119.71 ? 284 C 1
+10785 C CG . PRO E 5 284 ? 207.697 143.809 227.927 1 119.71 ? 284 C 1
+10786 C CD . PRO E 5 284 ? 207.482 143.65 229.395 1 119.71 ? 284 C 1
+10787 N N . ASP E 5 285 ? 205.018 140.072 227.673 1 120.74 ? 285 C 1
+10788 C CA . ASP E 5 285 ? 204.846 138.64 227.83 1 120.74 ? 285 C 1
+10789 C C . ASP E 5 285 ? 205.285 137.906 226.569 1 120.74 ? 285 C 1
+10790 O O . ASP E 5 285 ? 204.853 138.249 225.463 1 120.74 ? 285 C 1
+10791 C CB . ASP E 5 285 ? 203.387 138.286 228.141 1 120.74 ? 285 C 1
+10792 N N . PRO E 5 286 ? 206.152 136.9 226.702 1 121.2 ? 286 C 1
+10793 C CA . PRO E 5 286 ? 206.53 136.101 225.524 1 121.2 ? 286 C 1
+10794 C C . PRO E 5 286 ? 205.353 135.391 224.881 1 121.2 ? 286 C 1
+10795 O O . PRO E 5 286 ? 205.37 135.154 223.666 1 121.2 ? 286 C 1
+10796 C CB . PRO E 5 286 ? 207.553 135.105 226.09 1 121.2 ? 286 C 1
+10797 C CG . PRO E 5 286 ? 208.046 135.734 227.358 1 121.2 ? 286 C 1
+10798 C CD . PRO E 5 286 ? 206.872 136.478 227.914 1 121.2 ? 286 C 1
+10799 N N . SER E 5 287 ? 204.331 135.043 225.659 1 124.14 ? 287 C 1
+10800 C CA . SER E 5 287 ? 203.145 134.368 225.149 1 124.14 ? 287 C 1
+10801 C C . SER E 5 287 ? 202.126 135.329 224.547 1 124.14 ? 287 C 1
+10802 O O . SER E 5 287 ? 200.961 134.948 224.389 1 124.14 ? 287 C 1
+10803 C CB . SER E 5 287 ? 202.487 133.549 226.262 1 124.14 ? 287 C 1
+10804 N N . ILE E 5 288 ? 202.531 136.559 224.221 1 125.7 ? 288 C 1
+10805 C CA . ILE E 5 288 ? 201.609 137.508 223.603 1 125.7 ? 288 C 1
+10806 C C . ILE E 5 288 ? 201.133 136.985 222.254 1 125.7 ? 288 C 1
+10807 O O . ILE E 5 288 ? 199.953 137.107 221.903 1 125.7 ? 288 C 1
+10808 C CB . ILE E 5 288 ? 202.272 138.891 223.472 1 125.7 ? 288 C 1
+10809 N N . TYR E 5 289 ? 202.042 136.394 221.477 1 128.62 ? 289 C 1
+10810 C CA . TYR E 5 289 ? 201.675 135.816 220.191 1 128.62 ? 289 C 1
+10811 C C . TYR E 5 289 ? 200.862 134.536 220.332 1 128.62 ? 289 C 1
+10812 O O . TYR E 5 289 ? 200.183 134.141 219.379 1 128.62 ? 289 C 1
+10813 C CB . TYR E 5 289 ? 202.932 135.535 219.365 1 128.62 ? 289 C 1
+10814 N N . ALA E 5 290 ? 200.916 133.884 221.49 1 128.77 ? 290 C 1
+10815 C CA . ALA E 5 290 ? 200.185 132.642 221.687 1 128.77 ? 290 C 1
+10816 C C . ALA E 5 290 ? 198.701 132.912 221.91 1 128.77 ? 290 C 1
+10817 O O . ALA E 5 290 ? 198.309 133.928 222.49 1 128.77 ? 290 C 1
+10818 C CB . ALA E 5 290 ? 200.76 131.866 222.872 1 128.77 ? 290 C 1
+10819 N N . TYR E 5 291 ? 197.873 131.983 221.437 1 128.89 ? 291 C 1
+10820 C CA . TYR E 5 291 ? 196.431 132.053 221.615 1 128.89 ? 291 C 1
+10821 C C . TYR E 5 291 ? 195.905 130.677 221.991 1 128.89 ? 291 C 1
+10822 O O . TYR E 5 291 ? 196.529 129.655 221.692 1 128.89 ? 291 C 1
+10823 C CB . TYR E 5 291 ? 195.726 132.568 220.354 1 128.89 ? 291 C 1
+10824 C CG . TYR E 5 291 ? 195.95 134.039 220.094 1 128.89 ? 291 C 1
+10825 C CD1 . TYR E 5 291 ? 195.07 134.992 220.59 1 128.89 ? 291 C 1
+10826 C CD2 . TYR E 5 291 ? 197.049 134.477 219.369 1 128.89 ? 291 C 1
+10827 C CE1 . TYR E 5 291 ? 195.271 136.338 220.359 1 128.89 ? 291 C 1
+10828 C CE2 . TYR E 5 291 ? 197.261 135.822 219.137 1 128.89 ? 291 C 1
+10829 C CZ . TYR E 5 291 ? 196.368 136.748 219.632 1 128.89 ? 291 C 1
+10830 O OH . TYR E 5 291 ? 196.575 138.088 219.401 1 128.89 ? 291 C 1
+10831 N N . ASP E 5 292 ? 194.75 130.664 222.659 1 128.64 ? 292 C 1
+10832 C CA . ASP E 5 292 ? 194.187 129.414 223.157 1 128.64 ? 292 C 1
+10833 C C . ASP E 5 292 ? 193.841 128.468 222.013 1 128.64 ? 292 C 1
+10834 O O . ASP E 5 292 ? 194.267 127.307 221.999 1 128.64 ? 292 C 1
+10835 C CB . ASP E 5 292 ? 192.953 129.704 224.013 1 128.64 ? 292 C 1
+10836 N N . ASN E 5 293 ? 193.075 128.951 221.036 1 127.03 ? 293 C 1
+10837 C CA . ASN E 5 293 ? 192.655 128.113 219.922 1 127.03 ? 293 C 1
+10838 C C . ASN E 5 293 ? 192.07 128.985 218.821 1 127.03 ? 293 C 1
+10839 O O . ASN E 5 293 ? 191.479 130.033 219.098 1 127.03 ? 293 C 1
+10840 C CB . ASN E 5 293 ? 191.623 127.068 220.366 1 127.03 ? 293 C 1
+10841 N N . PHE E 5 294 ? 192.24 128.542 217.578 1 130.61 ? 294 C 1
+10842 C CA . PHE E 5 294 ? 191.614 129.159 216.415 1 130.61 ? 294 C 1
+10843 C C . PHE E 5 294 ? 190.646 128.151 215.817 1 130.61 ? 294 C 1
+10844 O O . PHE E 5 294 ? 191.045 127.032 215.478 1 130.61 ? 294 C 1
+10845 C CB . PHE E 5 294 ? 192.656 129.581 215.377 1 130.61 ? 294 C 1
+10846 C CG . PHE E 5 294 ? 193.675 130.552 215.896 1 130.61 ? 294 C 1
+10847 C CD1 . PHE E 5 294 ? 194.828 130.102 216.517 1 130.61 ? 294 C 1
+10848 C CD2 . PHE E 5 294 ? 193.485 131.916 215.755 1 130.61 ? 294 C 1
+10849 C CE1 . PHE E 5 294 ? 195.77 130.994 216.992 1 130.61 ? 294 C 1
+10850 C CE2 . PHE E 5 294 ? 194.424 132.813 216.225 1 130.61 ? 294 C 1
+10851 C CZ . PHE E 5 294 ? 195.567 132.352 216.845 1 130.61 ? 294 C 1
+10852 N N . GLY E 5 295 ? 189.382 128.543 215.683 1 125.4 ? 295 C 1
+10853 C CA . GLY E 5 295 ? 188.38 127.614 215.201 1 125.4 ? 295 C 1
+10854 C C . GLY E 5 295 ? 187.658 128.041 213.94 1 125.4 ? 295 C 1
+10855 O O . GLY E 5 295 ? 187.184 127.193 213.179 1 125.4 ? 295 C 1
+10856 N N . VAL E 5 296 ? 187.564 129.347 213.703 1 126.07 ? 296 C 1
+10857 C CA . VAL E 5 296 ? 186.772 129.889 212.606 1 126.07 ? 296 C 1
+10858 C C . VAL E 5 296 ? 187.6 130.92 211.852 1 126.07 ? 296 C 1
+10859 O O . VAL E 5 296 ? 188.378 131.666 212.454 1 126.07 ? 296 C 1
+10860 C CB . VAL E 5 296 ? 185.455 130.517 213.116 1 126.07 ? 296 C 1
+10861 C CG1 . VAL E 5 296 ? 184.627 131.049 211.96 1 126.07 ? 296 C 1
+10862 C CG2 . VAL E 5 296 ? 184.653 129.507 213.926 1 126.07 ? 296 C 1
+10863 N N . LEU E 5 297 ? 187.445 130.95 210.532 1 128.05 ? 297 C 1
+10864 C CA . LEU E 5 297 ? 187.989 132.01 209.686 1 128.05 ? 297 C 1
+10865 C C . LEU E 5 297 ? 186.791 132.777 209.136 1 128.05 ? 297 C 1
+10866 O O . LEU E 5 297 ? 185.987 132.229 208.379 1 128.05 ? 297 C 1
+10867 C CB . LEU E 5 297 ? 188.865 131.446 208.573 1 128.05 ? 297 C 1
+10868 C CG . LEU E 5 297 ? 189.533 132.486 207.672 1 128.05 ? 297 C 1
+10869 C CD1 . LEU E 5 297 ? 190.485 133.357 208.476 1 128.05 ? 297 C 1
+10870 C CD2 . LEU E 5 297 ? 190.259 131.812 206.519 1 128.05 ? 297 C 1
+10871 N N . GLY E 5 298 ? 186.657 134.044 209.534 1 126.59 ? 298 C 1
+10872 C CA . GLY E 5 298 ? 185.51 134.843 209.172 1 126.59 ? 298 C 1
+10873 C C . GLY E 5 298 ? 185.874 136.097 208.39 1 126.59 ? 298 C 1
+10874 O O . GLY E 5 298 ? 187.019 136.538 208.342 1 126.59 ? 298 C 1
+10875 N N . LEU E 5 299 ? 184.845 136.679 207.773 1 119.03 ? 299 C 1
+10876 C CA . LEU E 5 299 ? 185.01 137.912 207.005 1 119.03 ? 299 C 1
+10877 C C . LEU E 5 299 ? 183.733 138.73 207.174 1 119.03 ? 299 C 1
+10878 O O . LEU E 5 299 ? 182.751 138.507 206.461 1 119.03 ? 299 C 1
+10879 C CB . LEU E 5 299 ? 185.296 137.615 205.54 1 119.03 ? 299 C 1
+10880 N N . ASP E 5 300 ? 183.724 139.628 208.162 1 115.7 ? 300 C 1
+10881 C CA . ASP E 5 300 ? 182.544 140.509 208.378 1 115.7 ? 300 C 1
+10882 C C . ASP E 5 300 ? 182.933 141.921 207.94 1 115.7 ? 300 C 1
+10883 O O . ASP E 5 300 ? 183.636 142.6 208.715 1 115.7 ? 300 C 1
+10884 C CB . ASP E 5 300 ? 182.065 140.461 209.83 1 115.7 ? 300 C 1
+10885 N N . LEU E 5 301 ? 182.501 142.345 206.749 1 109.73 ? 301 C 1
+10886 C CA . LEU E 5 301 ? 182.965 143.665 206.244 1 109.73 ? 301 C 1
+10887 C C . LEU E 5 301 ? 181.827 144.468 205.611 1 109.73 ? 301 C 1
+10888 O O . LEU E 5 301 ? 180.924 143.849 205.013 1 109.73 ? 301 C 1
+10889 C CB . LEU E 5 301 ? 184.101 143.432 205.24 1 109.73 ? 301 C 1
+10890 C CG . LEU E 5 301 ? 183.846 142.359 204.183 1 109.73 ? 301 C 1
+10891 C CD1 . LEU E 5 301 ? 183.043 142.92 203.018 1 109.73 ? 301 C 1
+10892 C CD2 . LEU E 5 301 ? 185.159 141.778 203.683 1 109.73 ? 301 C 1
+10893 N N . TRP E 5 302 ? 181.871 145.792 205.789 1 109 ? 302 C 1
+10894 C CA . TRP E 5 302 ? 180.862 146.684 205.165 1 109 ? 302 C 1
+10895 C C . TRP E 5 302 ? 181.454 147.244 203.872 1 109 ? 302 C 1
+10896 O O . TRP E 5 302 ? 182.553 147.829 203.932 1 109 ? 302 C 1
+10897 C CB . TRP E 5 302 ? 180.456 147.81 206.121 1 109 ? 302 C 1
+10898 C CG . TRP E 5 302 ? 179.785 148.946 205.415 1 109 ? 302 C 1
+10899 C CD1 . TRP E 5 302 ? 180.382 150.054 204.887 1 109 ? 302 C 1
+10900 C CD2 . TRP E 5 302 ? 178.381 149.073 205.131 1 109 ? 302 C 1
+10901 N NE1 . TRP E 5 302 ? 179.447 150.865 204.304 1 109 ? 302 C 1
+10902 C CE2 . TRP E 5 302 ? 178.21 150.291 204.439 1 109 ? 302 C 1
+10903 C CE3 . TRP E 5 302 ? 177.257 148.285 205.398 1 109 ? 302 C 1
+10904 C CZ2 . TRP E 5 302 ? 176.959 150.734 204.013 1 109 ? 302 C 1
+10905 C CZ3 . TRP E 5 302 ? 176.021 148.725 204.979 1 109 ? 302 C 1
+10906 C CH2 . TRP E 5 302 ? 175.877 149.933 204.297 1 109 ? 302 C 1
+10907 N N . GLN E 5 303 ? 180.751 147.069 202.755 1 110.24 ? 303 C 1
+10908 C CA . GLN E 5 303 ? 181.253 147.531 201.434 1 110.24 ? 303 C 1
+10909 C C . GLN E 5 303 ? 180.158 148.333 200.732 1 110.24 ? 303 C 1
+10910 O O . GLN E 5 303 ? 179.065 147.777 200.506 1 110.24 ? 303 C 1
+10911 C CB . GLN E 5 303 ? 181.709 146.349 200.576 1 110.24 ? 303 C 1
+10912 C CG . GLN E 5 303 ? 183.176 145.998 200.771 1 110.24 ? 303 C 1
+10913 C CD . GLN E 5 303 ? 183.616 144.844 199.905 1 110.24 ? 303 C 1
+10914 O OE1 . GLN E 5 303 ? 182.912 144.423 198.989 1 110.24 ? 303 C 1
+10915 N NE2 . GLN E 5 303 ? 184.797 144.322 200.192 1 110.24 ? 303 C 1
+10916 N N . VAL E 5 304 ? 180.452 149.591 200.406 1 109.58 ? 304 C 1
+10917 C CA . VAL E 5 304 ? 179.482 150.452 199.737 1 109.58 ? 304 C 1
+10918 C C . VAL E 5 304 ? 179.261 150 198.298 1 109.58 ? 304 C 1
+10919 O O . VAL E 5 304 ? 178.123 149.957 197.818 1 109.58 ? 304 C 1
+10920 C CB . VAL E 5 304 ? 179.934 151.921 199.811 1 109.58 ? 304 C 1
+10921 C CG1 . VAL E 5 304 ? 179.013 152.8 198.98 1 109.58 ? 304 C 1
+10922 C CG2 . VAL E 5 304 ? 179.965 152.389 201.256 1 109.58 ? 304 C 1
+10923 N N . LYS E 5 305 ? 180.336 149.663 197.586 1 115.16 ? 305 C 1
+10924 C CA . LYS E 5 305 ? 180.255 149.174 196.212 1 115.16 ? 305 C 1
+10925 C C . LYS E 5 305 ? 180.748 147.734 196.185 1 115.16 ? 305 C 1
+10926 O O . LYS E 5 305 ? 181.954 147.486 196.286 1 115.16 ? 305 C 1
+10927 C CB . LYS E 5 305 ? 181.076 150.043 195.262 1 115.16 ? 305 C 1
+10928 C CG . LYS E 5 305 ? 180.818 149.779 193.789 1 115.16 ? 305 C 1
+10929 C CD . LYS E 5 305 ? 181.892 150.417 192.922 1 115.16 ? 305 C 1
+10930 C CE . LYS E 5 305 ? 182.081 151.888 193.256 1 115.16 ? 305 C 1
+10931 N NZ . LYS E 5 305 ? 183.212 152.486 192.493 1 115.16 ? 305 C 1
+10932 N N . SER E 5 306 ? 179.821 146.794 196.028 1 114.78 ? 306 C 1
+10933 C CA . SER E 5 306 ? 180.157 145.38 196.038 1 114.78 ? 306 C 1
+10934 C C . SER E 5 306 ? 180.96 145.005 194.794 1 114.78 ? 306 C 1
+10935 O O . SER E 5 306 ? 180.992 145.727 193.794 1 114.78 ? 306 C 1
+10936 C CB . SER E 5 306 ? 178.891 144.531 196.125 1 114.78 ? 306 C 1
+10937 O OG . SER E 5 306 ? 178.343 144.304 194.838 1 114.78 ? 306 C 1
+10938 N N . GLY E 5 307 ? 181.614 143.849 194.867 1 116.11 ? 307 C 1
+10939 C CA . GLY E 5 307 ? 182.43 143.371 193.769 1 116.11 ? 307 C 1
+10940 C C . GLY E 5 307 ? 183.806 142.909 194.202 1 116.11 ? 307 C 1
+10941 O O . GLY E 5 307 ? 184.689 142.699 193.366 1 116.11 ? 307 C 1
+10942 N N . THR E 5 308 ? 184 142.748 195.508 1 115.66 ? 308 C 1
+10943 C CA . THR E 5 308 ? 185.279 142.316 196.053 1 115.66 ? 308 C 1
+10944 C C . THR E 5 308 ? 185.346 140.794 196.064 1 115.66 ? 308 C 1
+10945 O O . THR E 5 308 ? 184.485 140.132 196.652 1 115.66 ? 308 C 1
+10946 C CB . THR E 5 308 ? 185.475 142.863 197.467 1 115.66 ? 308 C 1
+10947 O OG1 . THR E 5 308 ? 185.444 144.295 197.433 1 115.66 ? 308 C 1
+10948 C CG2 . THR E 5 308 ? 186.81 142.408 198.03 1 115.66 ? 308 C 1
+10949 N N . ILE E 5 309 ? 186.375 140.245 195.422 1 117.1 ? 309 C 1
+10950 C CA . ILE E 5 309 ? 186.546 138.804 195.279 1 117.1 ? 309 C 1
+10951 C C . ILE E 5 309 ? 187.605 138.333 196.265 1 117.1 ? 309 C 1
+10952 O O . ILE E 5 309 ? 188.686 138.923 196.359 1 117.1 ? 309 C 1
+10953 C CB . ILE E 5 309 ? 186.936 138.424 193.837 1 117.1 ? 309 C 1
+10954 C CG1 . ILE E 5 309 ? 185.825 138.815 192.862 1 117.1 ? 309 C 1
+10955 C CG2 . ILE E 5 309 ? 187.232 136.935 193.736 1 117.1 ? 309 C 1
+10956 C CD1 . ILE E 5 309 ? 186.21 138.67 191.406 1 117.1 ? 309 C 1
+10957 N N . PHE E 5 310 ? 187.291 137.27 197.002 1 117.43 ? 310 C 1
+10958 C CA . PHE E 5 310 ? 188.22 136.666 197.951 1 117.43 ? 310 C 1
+10959 C C . PHE E 5 310 ? 188.554 135.264 197.468 1 117.43 ? 310 C 1
+10960 O O . PHE E 5 310 ? 187.651 134.501 197.112 1 117.43 ? 310 C 1
+10961 C CB . PHE E 5 310 ? 187.62 136.621 199.357 1 117.43 ? 310 C 1
+10962 C CG . PHE E 5 310 ? 187.33 137.974 199.934 1 117.43 ? 310 C 1
+10963 C CD1 . PHE E 5 310 ? 188.31 138.672 200.616 1 117.43 ? 310 C 1
+10964 C CD2 . PHE E 5 310 ? 186.079 138.549 199.793 1 117.43 ? 310 C 1
+10965 C CE1 . PHE E 5 310 ? 188.049 139.918 201.148 1 117.43 ? 310 C 1
+10966 C CE2 . PHE E 5 310 ? 185.812 139.795 200.323 1 117.43 ? 310 C 1
+10967 C CZ . PHE E 5 310 ? 186.8 140.48 201.001 1 117.43 ? 310 C 1
+10968 N N . ASP E 5 311 ? 189.842 134.923 197.456 1 118.52 ? 311 C 1
+10969 C CA . ASP E 5 311 ? 190.258 133.607 196.99 1 118.52 ? 311 C 1
+10970 C C . ASP E 5 311 ? 191.604 133.259 197.614 1 118.52 ? 311 C 1
+10971 O O . ASP E 5 311 ? 192.271 134.106 198.214 1 118.52 ? 311 C 1
+10972 C CB . ASP E 5 311 ? 190.32 133.565 195.458 1 118.52 ? 311 C 1
+10973 C CG . ASP E 5 311 ? 190.427 132.152 194.915 1 118.52 ? 311 C 1
+10974 O OD1 . ASP E 5 311 ? 190.075 131.204 195.647 1 118.52 ? 311 C 1
+10975 O OD2 . ASP E 5 311 ? 190.862 131.99 193.756 1 118.52 ? 311 C 1
+10976 N N . ASN E 5 312 ? 191.988 131.99 197.476 1 122.54 ? 312 C 1
+10977 C CA . ASN E 5 312 ? 193.31 131.499 197.864 1 122.54 ? 312 C 1
+10978 C C . ASN E 5 312 ? 193.566 131.69 199.358 1 122.54 ? 312 C 1
+10979 O O . ASN E 5 312 ? 194.573 132.264 199.776 1 122.54 ? 312 C 1
+10980 C CB . ASN E 5 312 ? 194.404 132.17 197.03 1 122.54 ? 312 C 1
+10981 C CG . ASN E 5 312 ? 194.347 131.774 195.568 1 122.54 ? 312 C 1
+10982 O OD1 . ASN E 5 312 ? 193.758 130.753 195.211 1 122.54 ? 312 C 1
+10983 N ND2 . ASN E 5 312 ? 194.965 132.579 194.712 1 122.54 ? 312 C 1
+10984 N N . PHE E 5 313 ? 192.639 131.19 200.17 1 120.45 ? 313 C 1
+10985 C CA . PHE E 5 313 ? 192.792 131.238 201.619 1 120.45 ? 313 C 1
+10986 C C . PHE E 5 313 ? 193.699 130.099 202.068 1 120.45 ? 313 C 1
+10987 O O . PHE E 5 313 ? 193.524 128.953 201.641 1 120.45 ? 313 C 1
+10988 C CB . PHE E 5 313 ? 191.432 131.144 202.305 1 120.45 ? 313 C 1
+10989 C CG . PHE E 5 313 ? 190.585 132.373 202.151 1 120.45 ? 313 C 1
+10990 C CD1 . PHE E 5 313 ? 190.785 133.475 202.965 1 120.45 ? 313 C 1
+10991 C CD2 . PHE E 5 313 ? 189.587 132.425 201.194 1 120.45 ? 313 C 1
+10992 C CE1 . PHE E 5 313 ? 190.004 134.605 202.827 1 120.45 ? 313 C 1
+10993 C CE2 . PHE E 5 313 ? 188.804 133.553 201.051 1 120.45 ? 313 C 1
+10994 C CZ . PHE E 5 313 ? 189.013 134.644 201.869 1 120.45 ? 313 C 1
+10995 N N . LEU E 5 314 ? 194.667 130.41 202.924 1 125.1 ? 314 C 1
+10996 C CA . LEU E 5 314 ? 195.607 129.422 203.433 1 125.1 ? 314 C 1
+10997 C C . LEU E 5 314 ? 196.028 129.813 204.84 1 125.1 ? 314 C 1
+10998 O O . LEU E 5 314 ? 196.396 130.966 205.087 1 125.1 ? 314 C 1
+10999 C CB . LEU E 5 314 ? 196.833 129.307 202.52 1 125.1 ? 314 C 1
+11000 C CG . LEU E 5 314 ? 197.913 128.3 202.912 1 125.1 ? 314 C 1
+11001 C CD1 . LEU E 5 314 ? 197.36 126.886 202.879 1 125.1 ? 314 C 1
+11002 C CD2 . LEU E 5 314 ? 199.117 128.43 201.993 1 125.1 ? 314 C 1
+11003 N N . ILE E 5 315 ? 195.956 128.858 205.76 1 126.68 ? 315 C 1
+11004 C CA . ILE E 5 315 ? 196.423 129.03 207.129 1 126.68 ? 315 C 1
+11005 C C . ILE E 5 315 ? 197.29 127.828 207.468 1 126.68 ? 315 C 1
+11006 O O . ILE E 5 315 ? 196.837 126.682 207.355 1 126.68 ? 315 C 1
+11007 C CB . ILE E 5 315 ? 195.258 129.163 208.128 1 126.68 ? 315 C 1
+11008 C CG1 . ILE E 5 315 ? 194.363 130.346 207.754 1 126.68 ? 315 C 1
+11009 C CG2 . ILE E 5 315 ? 195.787 129.331 209.543 1 126.68 ? 315 C 1
+11010 C CD1 . ILE E 5 315 ? 193.058 130.389 208.515 1 126.68 ? 315 C 1
+11011 N N . THR E 5 316 ? 198.529 128.085 207.873 1 127.45 ? 316 C 1
+11012 C CA . THR E 5 316 ? 199.509 127.019 208.049 1 127.45 ? 316 C 1
+11013 C C . THR E 5 316 ? 200.556 127.464 209.064 1 127.45 ? 316 C 1
+11014 O O . THR E 5 316 ? 200.386 128.469 209.763 1 127.45 ? 316 C 1
+11015 C CB . THR E 5 316 ? 200.149 126.645 206.709 1 127.45 ? 316 C 1
+11016 N N . ASN E 5 317 ? 201.654 126.709 209.135 1 127.17 ? 317 C 1
+11017 C CA . ASN E 5 317 ? 202.72 126.96 210.097 1 127.17 ? 317 C 1
+11018 C C . ASN E 5 317 ? 204.088 127.115 209.444 1 127.17 ? 317 C 1
+11019 O O . ASN E 5 317 ? 205.061 127.426 210.141 1 127.17 ? 317 C 1
+11020 C CB . ASN E 5 317 ? 202.768 125.834 211.133 1 127.17 ? 317 C 1
+11021 N N . ASP E 5 318 ? 204.193 126.912 208.133 1 128.48 ? 318 C 1
+11022 C CA . ASP E 5 318 ? 205.469 126.947 207.433 1 128.48 ? 318 C 1
+11023 C C . ASP E 5 318 ? 205.498 128.141 206.491 1 128.48 ? 318 C 1
+11024 O O . ASP E 5 318 ? 204.594 128.307 205.664 1 128.48 ? 318 C 1
+11025 C CB . ASP E 5 318 ? 205.707 125.649 206.657 1 128.48 ? 318 C 1
+11026 C CG . ASP E 5 318 ? 207.17 125.425 206.331 1 128.48 ? 318 C 1
+11027 O OD1 . ASP E 5 318 ? 207.999 126.293 206.675 1 128.48 ? 318 C 1
+11028 O OD2 . ASP E 5 318 ? 207.491 124.377 205.732 1 128.48 ? 318 C 1
+11029 N N . GLU E 5 319 ? 206.537 128.969 206.621 1 126.02 ? 319 C 1
+11030 C CA . GLU E 5 319 ? 206.652 130.153 205.776 1 126.02 ? 319 C 1
+11031 C C . GLU E 5 319 ? 206.915 129.779 204.322 1 126.02 ? 319 C 1
+11032 O O . GLU E 5 319 ? 206.325 130.369 203.41 1 126.02 ? 319 C 1
+11033 C CB . GLU E 5 319 ? 207.758 131.067 206.303 1 126.02 ? 319 C 1
+11034 N N . ALA E 5 320 ? 207.802 128.809 204.085 1 127.35 ? 320 C 1
+11035 C CA . ALA E 5 320 ? 208.148 128.432 202.717 1 127.35 ? 320 C 1
+11036 C C . ALA E 5 320 ? 206.956 127.815 201.994 1 127.35 ? 320 C 1
+11037 O O . ALA E 5 320 ? 206.736 128.071 200.807 1 127.35 ? 320 C 1
+11038 C CB . ALA E 5 320 ? 209.333 127.467 202.726 1 127.35 ? 320 C 1
+11039 N N . TYR E 5 321 ? 206.188 126.983 202.697 1 128.63 ? 321 C 1
+11040 C CA . TYR E 5 321 ? 204.984 126.374 202.135 1 128.63 ? 321 C 1
+11041 C C . TYR E 5 321 ? 203.992 127.428 201.647 1 128.63 ? 321 C 1
+11042 O O . TYR E 5 321 ? 203.572 127.408 200.473 1 128.63 ? 321 C 1
+11043 C CB . TYR E 5 321 ? 204.377 125.472 203.217 1 128.63 ? 321 C 1
+11044 C CG . TYR E 5 321 ? 202.945 125.023 203.046 1 128.63 ? 321 C 1
+11045 C CD1 . TYR E 5 321 ? 202.502 124.454 201.866 1 128.63 ? 321 C 1
+11046 C CD2 . TYR E 5 321 ? 202.037 125.149 204.088 1 128.63 ? 321 C 1
+11047 C CE1 . TYR E 5 321 ? 201.19 124.033 201.727 1 128.63 ? 321 C 1
+11048 C CE2 . TYR E 5 321 ? 200.726 124.733 203.953 1 128.63 ? 321 C 1
+11049 C CZ . TYR E 5 321 ? 200.308 124.178 202.768 1 128.63 ? 321 C 1
+11050 O OH . TYR E 5 321 ? 199.005 123.762 202.622 1 128.63 ? 321 C 1
+11051 N N . ALA E 5 322 ? 203.64 128.371 202.523 1 131.69 ? 322 C 1
+11052 C CA . ALA E 5 322 ? 202.701 129.424 202.16 1 131.69 ? 322 C 1
+11053 C C . ALA E 5 322 ? 203.271 130.312 201.065 1 131.69 ? 322 C 1
+11054 O O . ALA E 5 322 ? 202.548 130.735 200.161 1 131.69 ? 322 C 1
+11055 C CB . ALA E 5 322 ? 202.338 130.25 203.394 1 131.69 ? 322 C 1
+11056 N N . GLU E 5 323 ? 204.57 130.614 201.136 1 129.5 ? 323 C 1
+11057 C CA . GLU E 5 323 ? 205.192 131.44 200.106 1 129.5 ? 323 C 1
+11058 C C . GLU E 5 323 ? 205.126 130.766 198.743 1 129.5 ? 323 C 1
+11059 O O . GLU E 5 323 ? 204.81 131.411 197.737 1 129.5 ? 323 C 1
+11060 C CB . GLU E 5 323 ? 206.643 131.743 200.482 1 129.5 ? 323 C 1
+11061 C CG . GLU E 5 323 ? 207.385 132.584 199.454 1 129.5 ? 323 C 1
+11062 C CD . GLU E 5 323 ? 208.841 132.805 199.819 1 129.5 ? 323 C 1
+11063 O OE1 . GLU E 5 323 ? 209.283 132.275 200.86 1 129.5 ? 323 C 1
+11064 O OE2 . GLU E 5 323 ? 209.543 133.508 199.062 1 129.5 ? 323 C 1
+11065 N N . GLU E 5 324 ? 205.414 129.463 198.691 1 127.39 ? 324 C 1
+11066 C CA . GLU E 5 324 ? 205.406 128.746 197.422 1 127.39 ? 324 C 1
+11067 C C . GLU E 5 324 ? 204.011 128.708 196.816 1 127.39 ? 324 C 1
+11068 O O . GLU E 5 324 ? 203.846 128.954 195.615 1 127.39 ? 324 C 1
+11069 C CB . GLU E 5 324 ? 205.946 127.33 197.617 1 127.39 ? 324 C 1
+11070 N N . PHE E 5 325 ? 202.991 128.402 197.623 1 125.4 ? 325 C 1
+11071 C CA . PHE E 5 325 ? 201.638 128.387 197.067 1 125.4 ? 325 C 1
+11072 C C . PHE E 5 325 ? 201.134 129.787 196.727 1 125.4 ? 325 C 1
+11073 O O . PHE E 5 325 ? 200.445 129.971 195.714 1 125.4 ? 325 C 1
+11074 C CB . PHE E 5 325 ? 200.69 127.633 197.996 1 125.4 ? 325 C 1
+11075 C CG . PHE E 5 325 ? 200.869 126.147 197.925 1 125.4 ? 325 C 1
+11076 C CD1 . PHE E 5 325 ? 200.219 125.423 196.938 1 125.4 ? 325 C 1
+11077 C CD2 . PHE E 5 325 ? 201.755 125.488 198.751 1 125.4 ? 325 C 1
+11078 C CE1 . PHE E 5 325 ? 200.388 124.06 196.828 1 125.4 ? 325 C 1
+11079 C CE2 . PHE E 5 325 ? 201.938 124.12 198.634 1 125.4 ? 325 C 1
+11080 C CZ . PHE E 5 325 ? 201.25 123.407 197.678 1 125.4 ? 325 C 1
+11081 N N . GLY E 5 326 ? 201.497 130.792 197.524 1 126.76 ? 326 C 1
+11082 C CA . GLY E 5 326 ? 201.151 132.156 197.167 1 126.76 ? 326 C 1
+11083 C C . GLY E 5 326 ? 201.751 132.567 195.837 1 126.76 ? 326 C 1
+11084 O O . GLY E 5 326 ? 201.074 133.173 195.004 1 126.76 ? 326 C 1
+11085 N N . ASN E 5 327 ? 203.021 132.226 195.611 1 125.86 ? 327 C 1
+11086 C CA . ASN E 5 327 ? 203.623 132.472 194.306 1 125.86 ? 327 C 1
+11087 C C . ASN E 5 327 ? 202.876 131.729 193.206 1 125.86 ? 327 C 1
+11088 O O . ASN E 5 327 ? 202.325 132.357 192.294 1 125.86 ? 327 C 1
+11089 C CB . ASN E 5 327 ? 205.098 132.071 194.317 1 125.86 ? 327 C 1
+11090 C CG . ASN E 5 327 ? 205.97 133.069 195.054 1 125.86 ? 327 C 1
+11091 O OD1 . ASN E 5 327 ? 206.586 132.745 196.069 1 125.86 ? 327 C 1
+11092 N ND2 . ASN E 5 327 ? 206.031 134.291 194.539 1 125.86 ? 327 C 1
+11093 N N . GLU E 5 328 ? 202.79 130.399 193.31 1 126.28 ? 328 C 1
+11094 C CA . GLU E 5 328 ? 202.247 129.596 192.219 1 126.28 ? 328 C 1
+11095 C C . GLU E 5 328 ? 200.777 129.886 191.947 1 126.28 ? 328 C 1
+11096 O O . GLU E 5 328 ? 200.26 129.458 190.911 1 126.28 ? 328 C 1
+11097 C CB . GLU E 5 328 ? 202.433 128.105 192.505 1 126.28 ? 328 C 1
+11098 C CG . GLU E 5 328 ? 203.876 127.641 192.508 1 126.28 ? 328 C 1
+11099 C CD . GLU E 5 328 ? 204.012 126.175 192.867 1 126.28 ? 328 C 1
+11100 O OE1 . GLU E 5 328 ? 203.006 125.572 193.296 1 126.28 ? 328 C 1
+11101 O OE2 . GLU E 5 328 ? 205.118 125.621 192.705 1 126.28 ? 328 C 1
+11102 N N . THR E 5 329 ? 200.086 130.582 192.849 1 125.51 ? 329 C 1
+11103 C CA . THR E 5 329 ? 198.735 131.018 192.523 1 125.51 ? 329 C 1
+11104 C C . THR E 5 329 ? 198.72 132.455 192.008 1 125.51 ? 329 C 1
+11105 O O . THR E 5 329 ? 198.28 132.712 190.879 1 125.51 ? 329 C 1
+11106 C CB . THR E 5 329 ? 197.821 130.886 193.744 1 125.51 ? 329 C 1
+11107 O OG1 . THR E 5 329 ? 198.39 131.6 194.849 1 125.51 ? 329 C 1
+11108 C CG2 . THR E 5 329 ? 197.65 129.422 194.124 1 125.51 ? 329 C 1
+11109 N N . TRP E 5 330 ? 199.213 133.394 192.821 1 129.78 ? 330 C 1
+11110 C CA . TRP E 5 330 ? 199.063 134.81 192.51 1 129.78 ? 330 C 1
+11111 C C . TRP E 5 330 ? 199.87 135.205 191.279 1 129.78 ? 330 C 1
+11112 O O . TRP E 5 330 ? 199.373 135.931 190.413 1 129.78 ? 330 C 1
+11113 C CB . TRP E 5 330 ? 199.472 135.652 193.719 1 129.78 ? 330 C 1
+11114 C CG . TRP E 5 330 ? 199.525 137.121 193.439 1 129.78 ? 330 C 1
+11115 C CD1 . TRP E 5 330 ? 198.493 138.008 193.52 1 129.78 ? 330 C 1
+11116 C CD2 . TRP E 5 330 ? 200.674 137.876 193.036 1 129.78 ? 330 C 1
+11117 N NE1 . TRP E 5 330 ? 198.926 139.269 193.191 1 129.78 ? 330 C 1
+11118 C CE2 . TRP E 5 330 ? 200.261 139.215 192.889 1 129.78 ? 330 C 1
+11119 C CE3 . TRP E 5 330 ? 202.009 137.55 192.784 1 129.78 ? 330 C 1
+11120 C CZ2 . TRP E 5 330 ? 201.136 140.227 192.501 1 129.78 ? 330 C 1
+11121 C CZ3 . TRP E 5 330 ? 202.877 138.555 192.399 1 129.78 ? 330 C 1
+11122 C CH2 . TRP E 5 330 ? 202.437 139.877 192.262 1 129.78 ? 330 C 1
+11123 N N . GLY E 5 331 ? 201.129 134.766 191.195 1 127.8 ? 331 C 1
+11124 C CA . GLY E 5 331 ? 201.946 135.138 190.052 1 127.8 ? 331 C 1
+11125 C C . GLY E 5 331 ? 201.425 134.556 188.755 1 127.8 ? 331 C 1
+11126 O O . GLY E 5 331 ? 201.464 135.203 187.706 1 127.8 ? 331 C 1
+11127 N N . VAL E 5 332 ? 200.933 133.317 188.809 1 123.63 ? 332 C 1
+11128 C CA . VAL E 5 332 ? 200.346 132.694 187.626 1 123.63 ? 332 C 1
+11129 C C . VAL E 5 332 ? 199.103 133.459 187.188 1 123.63 ? 332 C 1
+11130 O O . VAL E 5 332 ? 198.891 133.703 185.994 1 123.63 ? 332 C 1
+11131 C CB . VAL E 5 332 ? 200.038 131.211 187.896 1 123.63 ? 332 C 1
+11132 C CG1 . VAL E 5 332 ? 199.242 130.613 186.746 1 123.63 ? 332 C 1
+11133 C CG2 . VAL E 5 332 ? 201.33 130.439 188.102 1 123.63 ? 332 C 1
+11134 N N . THR E 5 333 ? 198.26 133.849 188.148 1 124.9 ? 333 C 1
+11135 C CA . THR E 5 333 ? 197.073 134.632 187.814 1 124.9 ? 333 C 1
+11136 C C . THR E 5 333 ? 197.448 135.973 187.191 1 124.9 ? 333 C 1
+11137 O O . THR E 5 333 ? 196.952 136.334 186.114 1 124.9 ? 333 C 1
+11138 C CB . THR E 5 333 ? 196.223 134.848 189.067 1 124.9 ? 333 C 1
+11139 O OG1 . THR E 5 333 ? 195.614 133.611 189.458 1 124.9 ? 333 C 1
+11140 C CG2 . THR E 5 333 ? 195.145 135.89 188.81 1 124.9 ? 333 C 1
+11141 N N . LYS E 5 334 ? 198.382 136.685 187.829 1 127.63 ? 334 C 1
+11142 C CA . LYS E 5 334 ? 198.631 138.1 187.582 1 127.63 ? 334 C 1
+11143 C C . LYS E 5 334 ? 198.908 138.421 186.119 1 127.63 ? 334 C 1
+11144 O O . LYS E 5 334 ? 198.417 139.426 185.593 1 127.63 ? 334 C 1
+11145 C CB . LYS E 5 334 ? 199.803 138.559 188.459 1 127.63 ? 334 C 1
+11146 C CG . LYS E 5 334 ? 200.293 139.967 188.169 1 127.63 ? 334 C 1
+11147 C CD . LYS E 5 334 ? 201.697 140.179 188.714 1 127.63 ? 334 C 1
+11148 C CE . LYS E 5 334 ? 202.197 141.585 188.428 1 127.63 ? 334 C 1
+11149 N NZ . LYS E 5 334 ? 203.553 141.817 188.999 1 127.63 ? 334 C 1
+11150 N N . ALA E 5 335 ? 199.705 137.589 185.449 1 127.88 ? 335 C 1
+11151 C CA . ALA E 5 335 ? 200.057 137.877 184.065 1 127.88 ? 335 C 1
+11152 C C . ALA E 5 335 ? 198.812 137.938 183.191 1 127.88 ? 335 C 1
+11153 O O . ALA E 5 335 ? 198.401 139.029 182.772 1 127.88 ? 335 C 1
+11154 C CB . ALA E 5 335 ? 201.033 136.828 183.53 1 127.88 ? 335 C 1
+11155 N N . ALA E 5 336 ? 198.156 136.789 183.002 1 124.64 ? 336 C 1
+11156 C CA . ALA E 5 336 ? 196.968 136.745 182.158 1 124.64 ? 336 C 1
+11157 C C . ALA E 5 336 ? 195.944 137.771 182.614 1 124.64 ? 336 C 1
+11158 O O . ALA E 5 336 ? 195.29 138.42 181.784 1 124.64 ? 336 C 1
+11159 C CB . ALA E 5 336 ? 196.367 135.34 182.165 1 124.64 ? 336 C 1
+11160 N N . GLU E 5 337 ? 195.835 137.97 183.932 1 126.71 ? 337 C 1
+11161 C CA . GLU E 5 337 ? 194.957 139.005 184.459 1 126.71 ? 337 C 1
+11162 C C . GLU E 5 337 ? 195.269 140.356 183.83 1 126.71 ? 337 C 1
+11163 O O . GLU E 5 337 ? 194.38 141.009 183.274 1 126.71 ? 337 C 1
+11164 C CB . GLU E 5 337 ? 195.095 139.071 185.981 1 126.71 ? 337 C 1
+11165 C CG . GLU E 5 337 ? 194.133 140.026 186.656 1 126.71 ? 337 C 1
+11166 C CD . GLU E 5 337 ? 194.242 139.993 188.167 1 126.71 ? 337 C 1
+11167 O OE1 . GLU E 5 337 ? 195.227 140.541 188.706 1 126.71 ? 337 C 1
+11168 O OE2 . GLU E 5 337 ? 193.341 139.422 188.817 1 126.71 ? 337 C 1
+11169 N N . LYS E 5 338 ? 196.538 140.771 183.86 1 126.34 ? 338 C 1
+11170 C CA . LYS E 5 338 ? 196.861 142.129 183.437 1 126.34 ? 338 C 1
+11171 C C . LYS E 5 338 ? 196.793 142.276 181.919 1 126.34 ? 338 C 1
+11172 O O . LYS E 5 338 ? 196.294 143.289 181.415 1 126.34 ? 338 C 1
+11173 C CB . LYS E 5 338 ? 198.226 142.571 183.978 1 126.34 ? 338 C 1
+11174 C CG . LYS E 5 338 ? 198.67 143.991 183.678 1 126.34 ? 338 C 1
+11175 C CD . LYS E 5 338 ? 200.019 144.255 184.337 1 126.34 ? 338 C 1
+11176 C CE . LYS E 5 338 ? 200.54 145.655 184.059 1 126.34 ? 338 C 1
+11177 N NZ . LYS E 5 338 ? 201.853 145.914 184.7 1 126.34 ? 338 C 1
+11178 N N . GLN E 5 339 ? 197.268 141.278 181.16 1 126.39 ? 339 C 1
+11179 C CA . GLN E 5 339 ? 197.162 141.424 179.704 1 126.39 ? 339 C 1
+11180 C C . GLN E 5 339 ? 195.707 141.443 179.239 1 126.39 ? 339 C 1
+11181 O O . GLN E 5 339 ? 195.332 142.269 178.398 1 126.39 ? 339 C 1
+11182 C CB . GLN E 5 339 ? 197.956 140.375 178.907 1 126.39 ? 339 C 1
+11183 C CG . GLN E 5 339 ? 199.489 140.447 179.014 1 126.39 ? 339 C 1
+11184 C CD . GLN E 5 339 ? 200.227 139.367 178.281 1 126.39 ? 339 C 1
+11185 O OE1 . GLN E 5 339 ? 199.691 138.296 178.051 1 126.39 ? 339 C 1
+11186 N NE2 . GLN E 5 339 ? 201.472 139.642 177.906 1 126.39 ? 339 C 1
+11187 N N . MET E 5 340 ? 194.904 140.5 179.742 1 129.39 ? 340 C 1
+11188 C CA . MET E 5 340 ? 193.466 140.442 179.367 1 129.39 ? 340 C 1
+11189 C C . MET E 5 340 ? 192.805 141.756 179.781 1 129.39 ? 340 C 1
+11190 O O . MET E 5 340 ? 192.062 142.331 178.962 1 129.39 ? 340 C 1
+11191 C CB . MET E 5 340 ? 192.768 139.283 180.084 1 129.39 ? 340 C 1
+11192 C CG . MET E 5 340 ? 191.295 139.16 179.75 1 129.39 ? 340 C 1
+11193 S SD . MET E 5 340 ? 190.569 137.635 180.406 1 129.39 ? 340 C 1
+11194 C CE . MET E 5 340 ? 188.841 137.893 180.006 1 129.39 ? 340 C 1
+11195 N N . LYS E 5 341 ? 193.072 142.198 181.015 1 127.69 ? 341 C 1
+11196 C CA . LYS E 5 341 ? 192.499 143.471 181.525 1 127.69 ? 341 C 1
+11197 C C . LYS E 5 341 ? 192.841 144.598 180.547 1 127.69 ? 341 C 1
+11198 O O . LYS E 5 341 ? 191.932 145.378 180.204 1 127.69 ? 341 C 1
+11199 C CB . LYS E 5 341 ? 193.05 143.771 182.922 1 127.69 ? 341 C 1
+11200 C CG . LYS E 5 341 ? 192.586 145.081 183.545 1 127.69 ? 341 C 1
+11201 C CD . LYS E 5 341 ? 191.083 145.187 183.664 1 127.69 ? 341 C 1
+11202 C CE . LYS E 5 341 ? 190.639 146.329 184.553 1 127.69 ? 341 C 1
+11203 N NZ . LYS E 5 341 ? 191.211 147.623 184.112 1 127.69 ? 341 C 1
+11204 N N . ASP E 5 342 ? 194.105 144.674 180.118 1 129.88 ? 342 C 1
+11205 C CA . ASP E 5 342 ? 194.49 145.709 179.164 1 129.88 ? 342 C 1
+11206 C C . ASP E 5 342 ? 193.718 145.556 177.86 1 129.88 ? 342 C 1
+11207 O O . ASP E 5 342 ? 193.339 146.548 177.227 1 129.88 ? 342 C 1
+11208 C CB . ASP E 5 342 ? 195.997 145.657 178.912 1 129.88 ? 342 C 1
+11209 C CG . ASP E 5 342 ? 196.453 146.691 177.901 1 129.88 ? 342 C 1
+11210 O OD1 . ASP E 5 342 ? 196.322 147.899 178.186 1 129.88 ? 342 C 1
+11211 O OD2 . ASP E 5 342 ? 196.94 146.294 176.822 1 129.88 ? 342 C 1
+11212 N N . LYS E 5 343 ? 193.478 144.312 177.442 1 129.53 ? 343 C 1
+11213 C CA . LYS E 5 343 ? 192.688 144.075 176.236 1 129.53 ? 343 C 1
+11214 C C . LYS E 5 343 ? 191.274 144.63 176.378 1 129.53 ? 343 C 1
+11215 O O . LYS E 5 343 ? 190.788 145.356 175.496 1 129.53 ? 343 C 1
+11216 C CB . LYS E 5 343 ? 192.648 142.579 175.927 1 129.53 ? 343 C 1
+11217 C CG . LYS E 5 343 ? 191.8 142.21 174.722 1 129.53 ? 343 C 1
+11218 C CD . LYS E 5 343 ? 192.028 140.763 174.316 1 129.53 ? 343 C 1
+11219 C CE . LYS E 5 343 ? 191.511 139.807 175.379 1 129.53 ? 343 C 1
+11220 N NZ . LYS E 5 343 ? 191.601 138.385 174.946 1 129.53 ? 343 C 1
+11221 N N . GLN E 5 344 ? 190.596 144.312 177.484 1 126.21 ? 344 C 1
+11222 C CA . GLN E 5 344 ? 189.233 144.812 177.639 1 126.21 ? 344 C 1
+11223 C C . GLN E 5 344 ? 189.228 146.321 177.853 1 126.21 ? 344 C 1
+11224 O O . GLN E 5 344 ? 188.261 146.998 177.493 1 126.21 ? 344 C 1
+11225 C CB . GLN E 5 344 ? 188.504 144.116 178.788 1 126.21 ? 344 C 1
+11226 C CG . GLN E 5 344 ? 188.219 142.649 178.573 1 126.21 ? 344 C 1
+11227 C CD . GLN E 5 344 ? 187.563 142.014 179.778 1 126.21 ? 344 C 1
+11228 O OE1 . GLN E 5 344 ? 187.716 142.486 180.904 1 126.21 ? 344 C 1
+11229 N NE2 . GLN E 5 344 ? 186.87 140.91 179.554 1 126.21 ? 344 C 1
+11230 N N . ASP E 5 345 ? 190.301 146.868 178.43 1 128.58 ? 345 C 1
+11231 C CA . ASP E 5 345 ? 190.404 148.316 178.579 1 128.58 ? 345 C 1
+11232 C C . ASP E 5 345 ? 190.542 148.995 177.222 1 128.58 ? 345 C 1
+11233 O O . ASP E 5 345 ? 189.968 150.064 176.987 1 128.58 ? 345 C 1
+11234 C CB . ASP E 5 345 ? 191.584 148.667 179.484 1 128.58 ? 345 C 1
+11235 C CG . ASP E 5 345 ? 191.301 148.383 180.945 1 128.58 ? 345 C 1
+11236 O OD1 . ASP E 5 345 ? 190.123 148.148 181.289 1 128.58 ? 345 C 1
+11237 O OD2 . ASP E 5 345 ? 192.255 148.391 181.75 1 128.58 ? 345 C 1
+11238 N N . GLU E 5 346 ? 191.31 148.387 176.316 1 127.93 ? 346 C 1
+11239 C CA . GLU E 5 346 ? 191.401 148.9 174.953 1 127.93 ? 346 C 1
+11240 C C . GLU E 5 346 ? 190.046 148.838 174.261 1 127.93 ? 346 C 1
+11241 O O . GLU E 5 346 ? 189.653 149.769 173.547 1 127.93 ? 346 C 1
+11242 C CB . GLU E 5 346 ? 192.447 148.112 174.163 1 127.93 ? 346 C 1
+11243 C CG . GLU E 5 346 ? 193.875 148.321 174.635 1 127.93 ? 346 C 1
+11244 C CD . GLU E 5 346 ? 194.863 147.43 173.908 1 127.93 ? 346 C 1
+11245 O OE1 . GLU E 5 346 ? 194.418 146.505 173.197 1 127.93 ? 346 C 1
+11246 O OE2 . GLU E 5 346 ? 196.084 147.655 174.048 1 127.93 ? 346 C 1
+11247 N N . GLU E 5 347 ? 189.315 147.738 174.464 1 126.03 ? 347 C 1
+11248 C CA . GLU E 5 347 ? 187.968 147.64 173.904 1 126.03 ? 347 C 1
+11249 C C . GLU E 5 347 ? 187.056 148.732 174.459 1 126.03 ? 347 C 1
+11250 O O . GLU E 5 347 ? 186.291 149.358 173.711 1 126.03 ? 347 C 1
+11251 C CB . GLU E 5 347 ? 187.38 146.259 174.187 1 126.03 ? 347 C 1
+11252 C CG . GLU E 5 347 ? 188.046 145.128 173.423 1 126.03 ? 347 C 1
+11253 C CD . GLU E 5 347 ? 187.448 143.775 173.752 1 126.03 ? 347 C 1
+11254 O OE1 . GLU E 5 347 ? 186.655 143.693 174.714 1 126.03 ? 347 C 1
+11255 O OE2 . GLU E 5 347 ? 187.771 142.794 173.051 1 126.03 ? 347 C 1
+11256 N N . GLN E 5 348 ? 187.132 148.976 175.769 1 120.73 ? 348 C 1
+11257 C CA . GLN E 5 348 ? 186.316 150.012 176.394 1 120.73 ? 348 C 1
+11258 C C . GLN E 5 348 ? 186.674 151.393 175.861 1 120.73 ? 348 C 1
+11259 O O . GLN E 5 348 ? 185.788 152.223 175.634 1 120.73 ? 348 C 1
+11260 C CB . GLN E 5 348 ? 186.487 149.965 177.912 1 120.73 ? 348 C 1
+11261 C CG . GLN E 5 348 ? 185.572 150.908 178.678 1 120.73 ? 348 C 1
+11262 C CD . GLN E 5 348 ? 185.655 150.707 180.179 1 120.73 ? 348 C 1
+11263 O OE1 . GLN E 5 348 ? 186.331 149.797 180.659 1 120.73 ? 348 C 1
+11264 N NE2 . GLN E 5 348 ? 184.959 151.553 180.93 1 120.73 ? 348 C 1
+11265 N N . ARG E 5 349 ? 187.967 151.661 175.67 1 121.96 ? 349 C 1
+11266 C CA . ARG E 5 349 ? 188.384 152.963 175.16 1 121.96 ? 349 C 1
+11267 C C . ARG E 5 349 ? 187.956 153.144 173.709 1 121.96 ? 349 C 1
+11268 O O . ARG E 5 349 ? 187.584 154.25 173.299 1 121.96 ? 349 C 1
+11269 C CB . ARG E 5 349 ? 189.897 153.131 175.334 1 121.96 ? 349 C 1
+11270 C CG . ARG E 5 349 ? 190.477 154.466 174.863 1 121.96 ? 349 C 1
+11271 C CD . ARG E 5 349 ? 191.984 154.587 175.137 1 121.96 ? 349 C 1
+11272 N NE . ARG E 5 349 ? 192.825 153.646 174.404 1 121.96 ? 349 C 1
+11273 C CZ . ARG E 5 349 ? 193.245 153.815 173.157 1 121.96 ? 349 C 1
+11274 N NH1 . ARG E 5 349 ? 193.019 154.938 172.496 1 121.96 ? 349 C 1
+11275 N NH2 . ARG E 5 349 ? 193.941 152.845 172.571 1 121.96 ? 349 C 1
+11276 N N . LEU E 5 350 ? 187.973 152.064 172.922 1 117.4 ? 350 C 1
+11277 C CA . LEU E 5 350 ? 187.431 152.132 171.568 1 117.4 ? 350 C 1
+11278 C C . LEU E 5 350 ? 185.94 152.444 171.589 1 117.4 ? 350 C 1
+11279 O O . LEU E 5 350 ? 185.456 153.265 170.799 1 117.4 ? 350 C 1
+11280 C CB . LEU E 5 350 ? 187.695 150.82 170.83 1 117.4 ? 350 C 1
+11281 N N . LYS E 5 351 ? 185.196 151.801 172.493 1 112.81 ? 351 C 1
+11282 C CA . LYS E 5 351 ? 183.767 152.081 172.606 1 112.81 ? 351 C 1
+11283 C C . LYS E 5 351 ? 183.518 153.527 173.022 1 112.81 ? 351 C 1
+11284 O O . LYS E 5 351 ? 182.609 154.184 172.498 1 112.81 ? 351 C 1
+11285 C CB . LYS E 5 351 ? 183.12 151.117 173.6 1 112.81 ? 351 C 1
+11286 N N . GLU E 5 352 ? 184.313 154.039 173.965 1 117.11 ? 352 C 1
+11287 C CA . GLU E 5 352 ? 184.152 155.422 174.402 1 117.11 ? 352 C 1
+11288 C C . GLU E 5 352 ? 184.48 156.401 173.282 1 117.11 ? 352 C 1
+11289 O O . GLU E 5 352 ? 183.808 157.427 173.132 1 117.11 ? 352 C 1
+11290 C CB . GLU E 5 352 ? 185.017 155.7 175.632 1 117.11 ? 352 C 1
+11291 C CG . GLU E 5 352 ? 184.582 154.949 176.883 1 117.11 ? 352 C 1
+11292 C CD . GLU E 5 352 ? 185.501 155.189 178.065 1 117.11 ? 352 C 1
+11293 O OE1 . GLU E 5 352 ? 186.58 155.786 177.867 1 117.11 ? 352 C 1
+11294 O OE2 . GLU E 5 352 ? 185.15 154.782 179.192 1 117.11 ? 352 C 1
+11295 N N . GLU E 5 353 ? 185.515 156.11 172.49 1 117.36 ? 353 C 1
+11296 C CA . GLU E 5 353 ? 185.831 156.971 171.353 1 117.36 ? 353 C 1
+11297 C C . GLU E 5 353 ? 184.715 156.947 170.317 1 117.36 ? 353 C 1
+11298 O O . GLU E 5 353 ? 184.382 157.982 169.728 1 117.36 ? 353 C 1
+11299 C CB . GLU E 5 353 ? 187.161 156.555 170.725 1 117.36 ? 353 C 1
+11300 C CG . GLU E 5 353 ? 188.376 156.892 171.574 1 117.36 ? 353 C 1
+11301 C CD . GLU E 5 353 ? 189.679 156.497 170.908 1 117.36 ? 353 C 1
+11302 O OE1 . GLU E 5 353 ? 189.632 155.782 169.886 1 117.36 ? 353 C 1
+11303 O OE2 . GLU E 5 353 ? 190.749 156.903 171.407 1 117.36 ? 353 C 1
+11304 N N . GLU E 5 354 ? 184.126 155.772 170.077 1 110.16 ? 354 C 1
+11305 C CA . GLU E 5 354 ? 182.99 155.694 169.161 1 110.16 ? 354 C 1
+11306 C C . GLU E 5 354 ? 181.809 156.507 169.679 1 110.16 ? 354 C 1
+11307 O O . GLU E 5 354 ? 181.146 157.213 168.908 1 110.16 ? 354 C 1
+11308 C CB . GLU E 5 354 ? 182.587 154.236 168.947 1 110.16 ? 354 C 1
+11309 N N . GLU E 5 355 ? 181.533 156.421 170.982 1 110.47 ? 355 C 1
+11310 C CA . GLU E 5 355 ? 180.45 157.203 171.57 1 110.47 ? 355 C 1
+11311 C C . GLU E 5 355 ? 180.728 158.698 171.457 1 110.47 ? 355 C 1
+11312 O O . GLU E 5 355 ? 179.821 159.493 171.186 1 110.47 ? 355 C 1
+11313 C CB . GLU E 5 355 ? 180.246 156.799 173.03 1 110.47 ? 355 C 1
+11314 N N . ASP E 5 356 ? 181.982 159.099 171.673 1 108.23 ? 356 C 1
+11315 C CA . ASP E 5 356 ? 182.347 160.506 171.545 1 108.23 ? 356 C 1
+11316 C C . ASP E 5 356 ? 182.176 160.991 170.111 1 108.23 ? 356 C 1
+11317 O O . ASP E 5 356 ? 181.7 162.107 169.877 1 108.23 ? 356 C 1
+11318 C CB . ASP E 5 356 ? 183.784 160.721 172.017 1 108.23 ? 356 C 1
+11319 N N . LYS E 5 357 ? 182.567 160.166 169.136 1 109.34 ? 357 C 1
+11320 C CA . LYS E 5 357 ? 182.371 160.53 167.735 1 109.34 ? 357 C 1
+11321 C C . LYS E 5 357 ? 180.889 160.651 167.399 1 109.34 ? 357 C 1
+11322 O O . LYS E 5 357 ? 180.485 161.562 166.664 1 109.34 ? 357 C 1
+11323 C CB . LYS E 5 357 ? 183.047 159.503 166.827 1 109.34 ? 357 C 1
+11324 N N . LYS E 5 358 ? 180.068 159.738 167.922 1 108.94 ? 358 C 1
+11325 C CA . LYS E 5 358 ? 178.627 159.821 167.699 1 108.94 ? 358 C 1
+11326 C C . LYS E 5 358 ? 178.054 161.098 168.304 1 108.94 ? 358 C 1
+11327 O O . LYS E 5 358 ? 177.224 161.776 167.686 1 108.94 ? 358 C 1
+11328 C CB . LYS E 5 358 ? 177.935 158.588 168.28 1 108.94 ? 358 C 1
+11329 N N . ARG E 5 359 ? 178.491 161.443 169.516 1 105.7 ? 359 C 1
+11330 C CA . ARG E 5 359 ? 178.03 162.676 170.144 1 105.7 ? 359 C 1
+11331 C C . ARG E 5 359 ? 178.457 163.895 169.337 1 105.7 ? 359 C 1
+11332 O O . ARG E 5 359 ? 177.676 164.837 169.16 1 105.7 ? 359 C 1
+11333 C CB . ARG E 5 359 ? 178.56 162.767 171.575 1 105.7 ? 359 C 1
+11334 N N . LYS E 5 360 ? 179.692 163.89 168.831 1 105.2 ? 360 C 1
+11335 C CA . LYS E 5 360 ? 180.178 165.014 168.037 1 105.2 ? 360 C 1
+11336 C C . LYS E 5 360 ? 179.389 165.167 166.743 1 105.2 ? 360 C 1
+11337 O O . LYS E 5 360 ? 179.043 166.288 166.351 1 105.2 ? 360 C 1
+11338 C CB . LYS E 5 360 ? 181.668 164.84 167.741 1 105.2 ? 360 C 1
+11339 N N . GLU E 5 361 ? 179.094 164.056 166.061 1 108.99 ? 361 C 1
+11340 C CA . GLU E 5 361 ? 178.351 164.158 164.808 1 108.99 ? 361 C 1
+11341 C C . GLU E 5 361 ? 176.901 164.563 165.057 1 108.99 ? 361 C 1
+11342 O O . GLU E 5 361 ? 176.319 165.318 164.27 1 108.99 ? 361 C 1
+11343 C CB . GLU E 5 361 ? 178.435 162.849 164.018 1 108.99 ? 361 C 1
+11344 C CG . GLU E 5 361 ? 179.805 162.486 163.482 1 108.99 ? 361 C 1
+11345 C CD . GLU E 5 361 ? 179.822 161.144 162.776 1 108.99 ? 361 C 1
+11346 O OE1 . GLU E 5 361 ? 178.815 160.411 162.866 1 108.99 ? 361 C 1
+11347 O OE2 . GLU E 5 361 ? 180.841 160.826 162.128 1 108.99 ? 361 C 1
+11348 N N . GLU E 5 362 ? 176.304 164.09 166.156 1 111.32 ? 362 C 1
+11349 C CA . GLU E 5 362 ? 174.966 164.552 166.517 1 111.32 ? 362 C 1
+11350 C C . GLU E 5 362 ? 174.966 166.045 166.82 1 111.32 ? 362 C 1
+11351 O O . GLU E 5 362 ? 174.041 166.768 166.429 1 111.32 ? 362 C 1
+11352 C CB . GLU E 5 362 ? 174.439 163.763 167.715 1 111.32 ? 362 C 1
+11353 C CG . GLU E 5 362 ? 174.095 162.316 167.409 1 111.32 ? 362 C 1
+11354 C CD . GLU E 5 362 ? 173.668 161.545 168.643 1 111.32 ? 362 C 1
+11355 O OE1 . GLU E 5 362 ? 173.845 162.068 169.763 1 111.32 ? 362 C 1
+11356 O OE2 . GLU E 5 362 ? 173.156 160.416 168.492 1 111.32 ? 362 C 1
+11357 N N . GLU E 5 363 ? 175.995 166.523 167.522 1 101.32 ? 363 C 1
+11358 C CA . GLU E 5 363 ? 176.097 167.946 167.825 1 101.32 ? 363 C 1
+11359 C C . GLU E 5 363 ? 176.258 168.768 166.551 1 101.32 ? 363 C 1
+11360 O O . GLU E 5 363 ? 175.655 169.838 166.411 1 101.32 ? 363 C 1
+11361 C CB . GLU E 5 363 ? 177.269 168.18 168.777 1 101.32 ? 363 C 1
+11362 C CG . GLU E 5 363 ? 177.089 167.596 170.161 1 101.32 ? 363 C 1
+11363 C CD . GLU E 5 363 ? 178.312 167.799 171.03 1 101.32 ? 363 C 1
+11364 O OE1 . GLU E 5 363 ? 179.357 168.221 170.496 1 101.32 ? 363 C 1
+11365 O OE2 . GLU E 5 363 ? 178.229 167.533 172.247 1 101.32 ? 363 C 1
+11366 N N . GLU E 5 364 ? 177.067 168.278 165.609 1 106.94 ? 364 C 1
+11367 C CA . GLU E 5 364 ? 177.22 168.963 164.329 1 106.94 ? 364 C 1
+11368 C C . GLU E 5 364 ? 175.906 168.993 163.557 1 106.94 ? 364 C 1
+11369 O O . GLU E 5 364 ? 175.56 170.009 162.941 1 106.94 ? 364 C 1
+11370 C CB . GLU E 5 364 ? 178.315 168.29 163.502 1 106.94 ? 364 C 1
+11371 C CG . GLU E 5 364 ? 178.52 168.903 162.127 1 106.94 ? 364 C 1
+11372 C CD . GLU E 5 364 ? 179.467 168.094 161.263 1 106.94 ? 364 C 1
+11373 O OE1 . GLU E 5 364 ? 180.031 167.101 161.767 1 106.94 ? 364 C 1
+11374 O OE2 . GLU E 5 364 ? 179.646 168.451 160.08 1 106.94 ? 364 C 1
+11375 N N . ALA E 5 365 ? 175.163 167.882 163.573 1 109.39 ? 365 C 1
+11376 C CA . ALA E 5 365 ? 173.866 167.845 162.903 1 109.39 ? 365 C 1
+11377 C C . ALA E 5 365 ? 172.893 168.834 163.53 1 109.39 ? 365 C 1
+11378 O O . ALA E 5 365 ? 172.132 169.501 162.82 1 109.39 ? 365 C 1
+11379 C CB . ALA E 5 365 ? 173.295 166.428 162.943 1 109.39 ? 365 C 1
+11380 N N . GLU E 5 366 ? 172.897 168.935 164.861 1 107.58 ? 366 C 1
+11381 C CA . GLU E 5 366 ? 172.067 169.932 165.53 1 107.58 ? 366 C 1
+11382 C C . GLU E 5 366 ? 172.491 171.348 165.163 1 107.58 ? 366 C 1
+11383 O O . GLU E 5 366 ? 171.638 172.23 165.008 1 107.58 ? 366 C 1
+11384 C CB . GLU E 5 366 ? 172.125 169.735 167.045 1 107.58 ? 366 C 1
+11385 N N . ASP E 5 367 ? 173.798 171.583 165.028 1 105.99 ? 367 C 1
+11386 C CA . ASP E 5 367 ? 174.284 172.893 164.606 1 105.99 ? 367 C 1
+11387 C C . ASP E 5 367 ? 173.831 173.238 163.195 1 105.99 ? 367 C 1
+11388 O O . ASP E 5 367 ? 173.485 174.394 162.923 1 105.99 ? 367 C 1
+11389 C CB . ASP E 5 367 ? 175.809 172.94 164.687 1 105.99 ? 367 C 1
+11390 N N . LYS E 5 368 ? 173.834 172.258 162.288 1 109.82 ? 368 C 1
+11391 C CA . LYS E 5 368 ? 173.478 172.529 160.898 1 109.82 ? 368 C 1
+11392 C C . LYS E 5 368 ? 172.039 173.015 160.775 1 109.82 ? 368 C 1
+11393 O O . LYS E 5 368 ? 171.747 173.903 159.965 1 109.82 ? 368 C 1
+11394 C CB . LYS E 5 368 ? 173.697 171.277 160.049 1 109.82 ? 368 C 1
+11395 N N . GLU E 5 369 ? 171.131 172.449 161.562 1 117.15 ? 369 C 1
+11396 C CA . GLU E 5 369 ? 169.729 172.851 161.528 1 117.15 ? 369 C 1
+11397 C C . GLU E 5 369 ? 169.551 174.279 162.036 1 117.15 ? 369 C 1
+11398 O O . GLU E 5 369 ? 169.3 174.501 163.22 1 117.15 ? 369 C 1
+11399 C CB . GLU E 5 369 ? 168.874 171.889 162.356 1 117.15 ? 369 C 1
+11400 C C1 . NAG F 6 . ? 168.926 195.24 195.763 1 34.94 ? 1 A 1
+11401 C C2 . NAG F 6 . ? 167.602 194.522 195.535 1 34.94 ? 1 A 1
+11402 C C3 . NAG F 6 . ? 167.426 194.149 194.062 1 34.94 ? 1 A 1
+11403 C C4 . NAG F 6 . ? 167.666 195.359 193.166 1 34.94 ? 1 A 1
+11404 C C5 . NAG F 6 . ? 168.96 196.078 193.543 1 34.94 ? 1 A 1
+11405 C C6 . NAG F 6 . ? 169.139 197.39 192.816 1 34.94 ? 1 A 1
+11406 C C7 . NAG F 6 . ? 168.091 192.236 196.523 1 34.94 ? 1 A 1
+11407 C C8 . NAG F 6 . ? 169.273 192.056 195.608 1 34.94 ? 1 A 1
+11408 N N2 . NAG F 6 . ? 167.385 193.381 196.424 1 34.94 ? 1 A 1
+11409 O O3 . NAG F 6 . ? 166.112 193.645 193.861 1 34.94 ? 1 A 1
+11410 O O4 . NAG F 6 . ? 167.806 194.914 191.822 1 34.94 ? 1 A 1
+11411 O O5 . NAG F 6 . ? 168.987 196.38 194.944 1 34.94 ? 1 A 1
+11412 O O6 . NAG F 6 . ? 168.246 198.377 193.312 1 34.94 ? 1 A 1
+11413 O O7 . NAG F 6 . ? 167.778 191.369 197.332 1 34.94 ? 1 A 1
+11414 C C1 . NAG F 6 . ? 166.815 195.494 190.952 1 58.68 ? 2 A 1
+11415 C C2 . NAG F 6 . ? 166.284 194.357 190.083 1 58.68 ? 2 A 1
+11416 C C3 . NAG F 6 . ? 165.223 194.864 189.109 1 58.68 ? 2 A 1
+11417 C C4 . NAG F 6 . ? 164.138 195.62 189.867 1 58.68 ? 2 A 1
+11418 C C5 . NAG F 6 . ? 164.749 196.683 190.782 1 58.68 ? 2 A 1
+11419 C C6 . NAG F 6 . ? 163.725 197.347 191.671 1 58.68 ? 2 A 1
+11420 C C7 . NAG F 6 . ? 168.246 193.982 188.518 1 58.68 ? 2 A 1
+11421 C C8 . NAG F 6 . ? 168.242 195.432 188.11 1 58.68 ? 2 A 1
+11422 N N2 . NAG F 6 . ? 167.324 193.576 189.414 1 58.68 ? 2 A 1
+11423 O O3 . NAG F 6 . ? 164.67 193.754 188.411 1 58.68 ? 2 A 1
+11424 O O4 . NAG F 6 . ? 163.267 196.28 188.955 1 58.68 ? 2 A 1
+11425 O O5 . NAG F 6 . ? 165.735 196.104 191.652 1 58.68 ? 2 A 1
+11426 O O6 . NAG F 6 . ? 162.769 196.406 192.141 1 58.68 ? 2 A 1
+11427 O O7 . NAG F 6 . ? 169.057 193.192 188.048 1 58.68 ? 2 A 1
+11428 C C1 . BMA F 6 . ? 162.131 195.448 188.649 1 82.4 ? 3 A 1
+11429 C C2 . BMA F 6 . ? 160.86 196.324 188.667 1 82.4 ? 3 A 1
+11430 C C3 . BMA F 6 . ? 159.671 195.521 188.151 1 82.4 ? 3 A 1
+11431 C C4 . BMA F 6 . ? 159.998 194.832 186.818 1 82.4 ? 3 A 1
+11432 C C5 . BMA F 6 . ? 161.265 193.98 186.971 1 82.4 ? 3 A 1
+11433 C C6 . BMA F 6 . ? 161.694 193.313 185.677 1 82.4 ? 3 A 1
+11434 O O2 . BMA F 6 . ? 161.005 197.434 187.8 1 82.4 ? 3 A 1
+11435 O O3 . BMA F 6 . ? 158.517 196.337 188.006 1 82.4 ? 3 A 1
+11436 O O4 . BMA F 6 . ? 158.915 194.007 186.422 1 82.4 ? 3 A 1
+11437 O O5 . BMA F 6 . ? 162.326 194.841 187.381 1 82.4 ? 3 A 1
+11438 O O6 . BMA F 6 . ? 162.526 194.221 184.959 1 82.4 ? 3 A 1
+11439 C C1 . NAG G 7 . ? 187.379 163.384 199.715 1 72.52 ? 1 D 1
+11440 C C2 . NAG G 7 . ? 187.213 162.814 201.122 1 72.52 ? 1 D 1
+11441 C C3 . NAG G 7 . ? 186.65 161.397 201.062 1 72.52 ? 1 D 1
+11442 C C4 . NAG G 7 . ? 185.391 161.354 200.207 1 72.52 ? 1 D 1
+11443 C C5 . NAG G 7 . ? 185.671 161.979 198.847 1 72.52 ? 1 D 1
+11444 C C6 . NAG G 7 . ? 184.448 162.06 197.967 1 72.52 ? 1 D 1
+11445 C C7 . NAG G 7 . ? 188.608 163.252 203.095 1 72.52 ? 1 D 1
+11446 C C8 . NAG G 7 . ? 189.991 163.193 203.672 1 72.52 ? 1 D 1
+11447 N N2 . NAG G 7 . ? 188.48 162.826 201.834 1 72.52 ? 1 D 1
+11448 O O3 . NAG G 7 . ? 186.359 160.96 202.383 1 72.52 ? 1 D 1
+11449 O O4 . NAG G 7 . ? 184.971 160.008 200.021 1 72.52 ? 1 D 1
+11450 O O5 . NAG G 7 . ? 186.145 163.319 199.025 1 72.52 ? 1 D 1
+11451 O O6 . NAG G 7 . ? 184.747 161.665 196.635 1 72.52 ? 1 D 1
+11452 O O7 . NAG G 7 . ? 187.652 163.669 203.74 1 72.52 ? 1 D 1
+11453 C C1 . NAG G 7 . ? 183.892 159.731 200.932 1 87.2 ? 2 D 1
+11454 C C2 . NAG G 7 . ? 182.962 158.714 200.29 1 87.2 ? 2 D 1
+11455 C C3 . NAG G 7 . ? 181.828 158.37 201.245 1 87.2 ? 2 D 1
+11456 C C4 . NAG G 7 . ? 182.387 157.904 202.582 1 87.2 ? 2 D 1
+11457 C C5 . NAG G 7 . ? 183.378 158.928 203.132 1 87.2 ? 2 D 1
+11458 C C6 . NAG G 7 . ? 184.089 158.449 204.375 1 87.2 ? 2 D 1
+11459 C C7 . NAG G 7 . ? 182.975 158.884 197.844 1 87.2 ? 2 D 1
+11460 C C8 . NAG G 7 . ? 182.303 159.466 196.638 1 87.2 ? 2 D 1
+11461 N N2 . NAG G 7 . ? 182.436 159.201 199.026 1 87.2 ? 2 D 1
+11462 O O3 . NAG G 7 . ? 181.021 157.356 200.657 1 87.2 ? 2 D 1
+11463 O O4 . NAG G 7 . ? 181.334 157.765 203.529 1 87.2 ? 2 D 1
+11464 O O5 . NAG G 7 . ? 184.397 159.209 202.16 1 87.2 ? 2 D 1
+11465 O O6 . NAG G 7 . ? 184.795 159.507 205.008 1 87.2 ? 2 D 1
+11466 O O7 . NAG G 7 . ? 183.961 158.161 197.753 1 87.2 ? 2 D 1
+11467 C C1 . BMA G 7 . ? 180.837 156.416 203.555 1 100.73 ? 3 D 1
+11468 C C2 . BMA G 7 . ? 181.187 155.818 204.928 1 100.73 ? 3 D 1
+11469 C C3 . BMA G 7 . ? 180.415 154.512 205.182 1 100.73 ? 3 D 1
+11470 C C4 . BMA G 7 . ? 178.949 154.6 204.736 1 100.73 ? 3 D 1
+11471 C C5 . BMA G 7 . ? 178.828 155.173 203.328 1 100.73 ? 3 D 1
+11472 C C6 . BMA G 7 . ? 177.375 155.357 202.909 1 100.73 ? 3 D 1
+11473 O O2 . BMA G 7 . ? 180.83 156.716 205.96 1 100.73 ? 3 D 1
+11474 O O3 . BMA G 7 . ? 180.425 154.139 206.56 1 100.73 ? 3 D 1
+11475 O O4 . BMA G 7 . ? 178.373 153.308 204.762 1 100.73 ? 3 D 1
+11476 O O5 . BMA G 7 . ? 179.445 156.448 203.329 1 100.73 ? 3 D 1
+11477 O O6 . BMA G 7 . ? 177.324 156.257 201.812 1 100.73 ? 3 D 1
+11478 C C1 . MAN G 7 . ? 181.754 153.897 207.056 1 106.39 ? 4 D 1
+11479 C C2 . MAN G 7 . ? 181.684 152.673 207.978 1 106.39 ? 4 D 1
+11480 C C3 . MAN G 7 . ? 180.786 153.015 209.163 1 106.39 ? 4 D 1
+11481 C C4 . MAN G 7 . ? 181.316 154.26 209.873 1 106.39 ? 4 D 1
+11482 C C5 . MAN G 7 . ? 181.369 155.418 208.87 1 106.39 ? 4 D 1
+11483 C C6 . MAN G 7 . ? 181.95 156.679 209.455 1 106.39 ? 4 D 1
+11484 O O2 . MAN G 7 . ? 182.964 152.412 208.539 1 106.39 ? 4 D 1
+11485 O O3 . MAN G 7 . ? 180.646 151.943 210.091 1 106.39 ? 4 D 1
+11486 O O4 . MAN G 7 . ? 180.469 154.602 210.954 1 106.39 ? 4 D 1
+11487 O O5 . MAN G 7 . ? 182.203 155.031 207.759 1 106.39 ? 4 D 1
+11488 O O6 . MAN G 7 . ? 183.299 156.415 209.815 1 106.39 ? 4 D 1
+11489 C C1 . MAN G 7 . ? 183.173 150.989 208.633 1 112.08 ? 5 D 1
+11490 C C2 . MAN G 7 . ? 184.244 150.761 209.725 1 112.08 ? 5 D 1
+11491 C C3 . MAN G 7 . ? 185.605 151.222 209.239 1 112.08 ? 5 D 1
+11492 C C4 . MAN G 7 . ? 185.925 150.603 207.887 1 112.08 ? 5 D 1
+11493 C C5 . MAN G 7 . ? 184.832 150.966 206.895 1 112.08 ? 5 D 1
+11494 C C6 . MAN G 7 . ? 185.058 150.329 205.553 1 112.08 ? 5 D 1
+11495 O O2 . MAN G 7 . ? 184.39 149.38 210.005 1 112.08 ? 5 D 1
+11496 O O3 . MAN G 7 . ? 186.629 150.906 210.176 1 112.08 ? 5 D 1
+11497 O O4 . MAN G 7 . ? 187.152 151.113 207.409 1 112.08 ? 5 D 1
+11498 O O5 . MAN G 7 . ? 183.582 150.471 207.387 1 112.08 ? 5 D 1
+11499 O O6 . MAN G 7 . ? 184.808 148.936 205.682 1 112.08 ? 5 D 1
+11500 C C1 . MAN G 7 . ? 183.325 149.022 210.906 1 118.72 ? 6 D 1
+11501 C C2 . MAN G 7 . ? 183.978 148.444 212.19 1 118.72 ? 6 D 1
+11502 C C3 . MAN G 7 . ? 184.503 147.033 211.946 1 118.72 ? 6 D 1
+11503 C C4 . MAN G 7 . ? 183.428 146.171 211.289 1 118.72 ? 6 D 1
+11504 C C5 . MAN G 7 . ? 183.027 146.825 209.98 1 118.72 ? 6 D 1
+11505 C C6 . MAN G 7 . ? 181.99 146.029 209.236 1 118.72 ? 6 D 1
+11506 O O2 . MAN G 7 . ? 183.022 148.321 213.243 1 118.72 ? 6 D 1
+11507 O O3 . MAN G 7 . ? 184.963 146.439 213.164 1 118.72 ? 6 D 1
+11508 O O4 . MAN G 7 . ? 183.922 144.873 211.022 1 118.72 ? 6 D 1
+11509 O O5 . MAN G 7 . ? 182.45 148.098 210.285 1 118.72 ? 6 D 1
+11510 O O6 . MAN G 7 . ? 180.95 145.711 210.15 1 118.72 ? 6 D 1
+11511 C C1 . GLC G 7 . ? 186.233 145.783 212.952 1 126.02 ? 7 D 1
+11512 C C2 . GLC G 7 . ? 186.552 144.961 214.2 1 126.02 ? 7 D 1
+11513 C C3 . GLC G 7 . ? 186.784 145.862 215.404 1 126.02 ? 7 D 1
+11514 C C4 . GLC G 7 . ? 187.778 146.971 215.082 1 126.02 ? 7 D 1
+11515 C C5 . GLC G 7 . ? 187.421 147.663 213.774 1 126.02 ? 7 D 1
+11516 C C6 . GLC G 7 . ? 188.477 148.685 213.372 1 126.02 ? 7 D 1
+11517 O O2 . GLC G 7 . ? 185.492 144.076 214.473 1 126.02 ? 7 D 1
+11518 O O3 . GLC G 7 . ? 187.273 145.083 216.472 1 126.02 ? 7 D 1
+11519 O O4 . GLC G 7 . ? 187.776 147.921 216.122 1 126.02 ? 7 D 1
+11520 O O5 . GLC G 7 . ? 187.279 146.713 212.739 1 126.02 ? 7 D 1
+11521 O O6 . GLC G 7 . ? 188.222 149.125 212.057 1 126.02 ? 7 D 1
+
+loop_
+_pdbx_poly_seq_scheme.asym_id
+_pdbx_poly_seq_scheme.entity_id
+_pdbx_poly_seq_scheme.seq_id
+_pdbx_poly_seq_scheme.mon_id
+_pdbx_poly_seq_scheme.ndb_seq_num
+_pdbx_poly_seq_scheme.pdb_seq_num
+_pdbx_poly_seq_scheme.auth_seq_num
+_pdbx_poly_seq_scheme.pdb_mon_id
+_pdbx_poly_seq_scheme.auth_mon_id
+_pdbx_poly_seq_scheme.pdb_strand_id
+_pdbx_poly_seq_scheme.pdb_ins_code
+_pdbx_poly_seq_scheme.hetero
+A 1 1 ILE 1 1 1 ILE ILE B . n
+A 1 2 GLN 2 2 2 GLN GLN B . n
+A 1 3 ARG 3 3 3 ARG ARG B . n
+A 1 4 THR 4 4 4 THR THR B . n
+A 1 5 PRO 5 5 5 PRO PRO B . n
+A 1 6 LYS 6 6 6 LYS LYS B . n
+A 1 7 ILE 7 7 7 ILE ILE B . n
+A 1 8 GLN 8 8 8 GLN GLN B . n
+A 1 9 VAL 9 9 9 VAL VAL B . n
+A 1 10 TYR 10 10 10 TYR TYR B . n
+A 1 11 SER 11 11 11 SER SER B . n
+A 1 12 ARG 12 12 12 ARG ARG B . n
+A 1 13 HIS 13 13 13 HIS HIS B . n
+A 1 14 PRO 14 14 14 PRO PRO B . n
+A 1 15 ALA 15 15 15 ALA ALA B . n
+A 1 16 GLU 16 16 16 GLU GLU B . n
+A 1 17 ASN 17 17 17 ASN ASN B . n
+A 1 18 GLY 18 18 18 GLY GLY B . n
+A 1 19 LYS 19 19 19 LYS LYS B . n
+A 1 20 SER 20 20 20 SER SER B . n
+A 1 21 ASN 21 21 21 ASN ASN B . n
+A 1 22 PHE 22 22 22 PHE PHE B . n
+A 1 23 LEU 23 23 23 LEU LEU B . n
+A 1 24 ASN 24 24 24 ASN ASN B . n
+A 1 25 CYS 25 25 25 CYS CYS B . n
+A 1 26 TYR 26 26 26 TYR TYR B . n
+A 1 27 VAL 27 27 27 VAL VAL B . n
+A 1 28 SER 28 28 28 SER SER B . n
+A 1 29 GLY 29 29 29 GLY GLY B . n
+A 1 30 PHE 30 30 30 PHE PHE B . n
+A 1 31 HIS 31 31 31 HIS HIS B . n
+A 1 32 PRO 32 32 32 PRO PRO B . n
+A 1 33 SER 33 33 33 SER SER B . n
+A 1 34 ASP 34 34 34 ASP ASP B . n
+A 1 35 ILE 35 35 35 ILE ILE B . n
+A 1 36 GLU 36 36 36 GLU GLU B . n
+A 1 37 VAL 37 37 37 VAL VAL B . n
+A 1 38 ASP 38 38 38 ASP ASP B . n
+A 1 39 LEU 39 39 39 LEU LEU B . n
+A 1 40 LEU 40 40 40 LEU LEU B . n
+A 1 41 LYS 41 41 41 LYS LYS B . n
+A 1 42 ASN 42 42 42 ASN ASN B . n
+A 1 43 GLY 43 43 43 GLY GLY B . n
+A 1 44 GLU 44 44 44 GLU GLU B . n
+A 1 45 ARG 45 45 45 ARG ARG B . n
+A 1 46 ILE 46 46 46 ILE ILE B . n
+A 1 47 GLU 47 47 47 GLU GLU B . n
+A 1 48 LYS 48 48 48 LYS LYS B . n
+A 1 49 VAL 49 49 49 VAL VAL B . n
+A 1 50 GLU 50 50 50 GLU GLU B . n
+A 1 51 HIS 51 51 51 HIS HIS B . n
+A 1 52 SER 52 52 52 SER SER B . n
+A 1 53 ASP 53 53 53 ASP ASP B . n
+A 1 54 LEU 54 54 54 LEU LEU B . n
+A 1 55 SER 55 55 55 SER SER B . n
+A 1 56 PHE 56 56 56 PHE PHE B . n
+A 1 57 SER 57 57 57 SER SER B . n
+A 1 58 LYS 58 58 58 LYS LYS B . n
+A 1 59 ASP 59 59 59 ASP ASP B . n
+A 1 60 TRP 60 60 60 TRP TRP B . n
+A 1 61 SER 61 61 61 SER SER B . n
+A 1 62 PHE 62 62 62 PHE PHE B . n
+A 1 63 TYR 63 63 63 TYR TYR B . n
+A 1 64 LEU 64 64 64 LEU LEU B . n
+A 1 65 LEU 65 65 65 LEU LEU B . n
+A 1 66 TYR 66 66 66 TYR TYR B . n
+A 1 67 TYR 67 67 67 TYR TYR B . n
+A 1 68 THR 68 68 68 THR THR B . n
+A 1 69 GLU 69 69 69 GLU GLU B . n
+A 1 70 PHE 70 70 70 PHE PHE B . n
+A 1 71 THR 71 71 71 THR THR B . n
+A 1 72 PRO 72 72 72 PRO PRO B . n
+A 1 73 THR 73 73 73 THR THR B . n
+A 1 74 GLU 74 74 74 GLU GLU B . n
+A 1 75 LYS 75 75 75 LYS LYS B . n
+A 1 76 ASP 76 76 76 ASP ASP B . n
+A 1 77 GLU 77 77 77 GLU GLU B . n
+A 1 78 TYR 78 78 78 TYR TYR B . n
+A 1 79 ALA 79 79 79 ALA ALA B . n
+A 1 80 CYS 80 80 80 CYS CYS B . n
+A 1 81 ARG 81 81 81 ARG ARG B . n
+A 1 82 VAL 82 82 82 VAL VAL B . n
+A 1 83 ASN 83 83 83 ASN ASN B . n
+A 1 84 HIS 84 84 84 HIS HIS B . n
+A 1 85 VAL 85 85 85 VAL VAL B . n
+A 1 86 THR 86 86 86 THR THR B . n
+A 1 87 LEU 87 87 87 LEU LEU B . n
+A 1 88 SER 88 88 88 SER SER B . n
+A 1 89 GLN 89 89 89 GLN GLN B . n
+A 1 90 PRO 90 90 90 PRO PRO B . n
+A 1 91 LYS 91 91 91 LYS LYS B . n
+A 1 92 ILE 92 92 92 ILE ILE B . n
+A 1 93 VAL 93 93 93 VAL VAL B . n
+A 1 94 LYS 94 94 94 LYS LYS B . n
+A 1 95 TRP 95 95 95 TRP TRP B . n
+A 1 96 ASP 96 96 96 ASP ASP B . n
+A 1 97 ARG 97 97 97 ARG ARG B . n
+A 1 98 ASP 98 98 98 ASP ASP B . n
+A 1 99 MET 99 99 99 MET MET B . n
+B 2 1 GLY 1 1 1 GLY GLY T . n
+B 2 2 PRO 2 2 2 PRO PRO T . n
+B 2 3 ALA 3 3 3 ALA ALA T . n
+B 2 4 VAL 4 4 4 VAL VAL T . n
+B 2 5 ILE 5 5 5 ILE ILE T . n
+B 2 6 GLU 6 6 6 GLU GLU T . n
+B 2 7 CYS 7 7 7 CYS CYS T . n
+B 2 8 TRP 8 8 8 TRP TRP T . n
+B 2 9 PHE 9 9 9 PHE PHE T . n
+B 2 10 VAL 10 10 10 VAL VAL T . n
+B 2 11 GLU 11 11 11 GLU GLU T . n
+B 2 12 ASP 12 12 12 ASP ASP T . n
+B 2 13 ALA 13 13 13 ALA ALA T . n
+B 2 14 SER 14 14 14 SER SER T . n
+B 2 15 GLY 15 15 15 GLY GLY T . n
+B 2 16 LYS 16 16 16 LYS LYS T . n
+B 2 17 GLY 17 17 17 GLY GLY T . n
+B 2 18 LEU 18 18 18 LEU LEU T . n
+B 2 19 ALA 19 19 19 ALA ALA T . n
+B 2 20 LYS 20 20 20 LYS LYS T . n
+B 2 21 ARG 21 21 21 ARG ARG T . n
+B 2 22 PRO 22 22 22 PRO PRO T . n
+B 2 23 GLY 23 23 23 GLY GLY T . n
+B 2 24 ALA 24 24 24 ALA ALA T . n
+B 2 25 LEU 25 25 25 LEU LEU T . n
+B 2 26 LEU 26 26 26 LEU LEU T . n
+B 2 27 LEU 27 27 27 LEU LEU T . n
+B 2 28 ARG 28 28 28 ARG ARG T . n
+B 2 29 GLN 29 29 ? ? ? T . n
+B 2 30 GLY 30 30 ? ? ? T . n
+B 2 31 PRO 31 31 ? ? ? T . n
+B 2 32 GLY 32 32 ? ? ? T . n
+B 2 33 GLU 33 33 33 GLU ALA T . n
+B 2 34 PRO 34 34 34 PRO PRO T . n
+B 2 35 PRO 35 35 35 PRO PRO T . n
+B 2 36 PRO 36 36 36 PRO PRO T . n
+B 2 37 ARG 37 37 37 ARG ARG T . n
+B 2 38 PRO 38 38 38 PRO PRO T . n
+B 2 39 ASP 39 39 39 ASP ASP T . n
+B 2 40 LEU 40 40 40 LEU LEU T . n
+B 2 41 ASP 41 41 41 ASP ASP T . n
+B 2 42 PRO 42 42 42 PRO PRO T . n
+B 2 43 GLU 43 43 43 GLU GLU T . n
+B 2 44 LEU 44 44 44 LEU LEU T . n
+B 2 45 TYR 45 45 45 TYR TYR T . n
+B 2 46 LEU 46 46 46 LEU LEU T . n
+B 2 47 SER 47 47 47 SER SER T . n
+B 2 48 VAL 48 48 48 VAL VAL T . n
+B 2 49 HIS 49 49 49 HIS HIS T . n
+B 2 50 ASP 50 50 50 ASP ASP T . n
+B 2 51 PRO 51 51 51 PRO PRO T . n
+B 2 52 ALA 52 52 52 ALA ALA T . n
+B 2 53 GLY 53 53 53 GLY GLY T . n
+B 2 54 ALA 54 54 54 ALA ALA T . n
+B 2 55 LEU 55 55 55 LEU LEU T . n
+B 2 56 GLN 56 56 56 GLN GLN T . n
+B 2 57 ALA 57 57 57 ALA ALA T . n
+B 2 58 ALA 58 58 58 ALA ALA T . n
+B 2 59 PHE 59 59 59 PHE PHE T . n
+B 2 60 ARG 60 60 60 ARG ARG T . n
+B 2 61 ARG 61 61 61 ARG ARG T . n
+B 2 62 TYR 62 62 62 TYR TYR T . n
+B 2 63 PRO 63 63 63 PRO PRO T . n
+B 2 64 ARG 64 64 64 ARG ARG T . n
+B 2 65 GLY 65 65 65 GLY GLY T . n
+B 2 66 ALA 66 66 66 ALA ALA T . n
+B 2 67 PRO 67 67 67 PRO PRO T . n
+B 2 68 ALA 68 68 68 ALA ALA T . n
+B 2 69 PRO 69 69 69 PRO PRO T . n
+B 2 70 HIS 70 70 70 HIS HIS T . n
+B 2 71 CYS 71 71 71 CYS CYS T . n
+B 2 72 GLU 72 72 72 GLU GLU T . n
+B 2 73 MET 73 73 73 MET MET T . n
+B 2 74 SER 74 74 74 SER SER T . n
+B 2 75 ARG 75 75 75 ARG ARG T . n
+B 2 76 PHE 76 76 76 PHE PHE T . n
+B 2 77 VAL 77 77 77 VAL VAL T . n
+B 2 78 PRO 78 78 78 PRO PRO T . n
+B 2 79 LEU 79 79 79 LEU LEU T . n
+B 2 80 PRO 80 80 80 PRO PRO T . n
+B 2 81 ALA 81 81 81 ALA ALA T . n
+B 2 82 SER 82 82 82 SER SER T . n
+B 2 83 ALA 83 83 83 ALA ALA T . n
+B 2 84 LYS 84 84 84 LYS LYS T . n
+B 2 85 TRP 85 85 85 TRP TRP T . n
+B 2 86 ALA 86 86 86 ALA ALA T . n
+B 2 87 SER 87 87 87 SER SER T . n
+B 2 88 GLY 88 88 88 GLY GLY T . n
+B 2 89 LEU 89 89 89 LEU LEU T . n
+B 2 90 THR 90 90 90 THR THR T . n
+B 2 91 PRO 91 91 91 PRO PRO T . n
+B 2 92 ALA 92 92 92 ALA ALA T . n
+B 2 93 GLN 93 93 93 GLN GLN T . n
+B 2 94 ASN 94 94 94 ASN ASN T . n
+B 2 95 CYS 95 95 95 CYS CYS T . n
+B 2 96 PRO 96 96 96 PRO PRO T . n
+B 2 97 ARG 97 97 97 ARG ARG T . n
+B 2 98 ALA 98 98 98 ALA ALA T . n
+B 2 99 LEU 99 99 99 LEU LEU T . n
+B 2 100 ASP 100 100 100 ASP ASP T . n
+B 2 101 GLY 101 101 101 GLY GLY T . n
+B 2 102 ALA 102 102 102 ALA ALA T . n
+B 2 103 TRP 103 103 103 TRP TRP T . n
+B 2 104 LEU 104 104 104 LEU LEU T . n
+B 2 105 MET 105 105 105 MET MET T . n
+B 2 106 VAL 106 106 106 VAL VAL T . n
+B 2 107 SER 107 107 107 SER SER T . n
+B 2 108 ILE 108 108 108 ILE ILE T . n
+B 2 109 SER 109 109 109 SER SER T . n
+B 2 110 SER 110 110 110 SER SER T . n
+B 2 111 PRO 111 111 111 PRO PRO T . n
+B 2 112 VAL 112 112 112 VAL VAL T . n
+B 2 113 LEU 113 113 113 LEU LEU T . n
+B 2 114 SER 114 114 114 SER SER T . n
+B 2 115 LEU 115 115 115 LEU LEU T . n
+B 2 116 SER 116 116 116 SER SER T . n
+B 2 117 SER 117 117 117 SER SER T . n
+B 2 118 LEU 118 118 118 LEU LEU T . n
+B 2 119 LEU 119 119 119 LEU LEU T . n
+B 2 120 ARG 120 120 120 ARG ARG T . n
+B 2 121 PRO 121 121 121 PRO PRO T . n
+B 2 122 GLN 122 122 122 GLN GLN T . n
+B 2 123 PRO 123 123 123 PRO PRO T . n
+B 2 124 GLU 124 124 124 GLU GLU T . n
+B 2 125 PRO 125 125 125 PRO PRO T . n
+B 2 126 GLN 126 126 126 GLN GLN T . n
+B 2 127 GLN 127 127 127 GLN GLN T . n
+B 2 128 GLU 128 128 128 GLU GLU T . n
+B 2 129 PRO 129 129 129 PRO PRO T . n
+B 2 130 VAL 130 130 130 VAL VAL T . n
+B 2 131 LEU 131 131 131 LEU LEU T . n
+B 2 132 ILE 132 132 132 ILE ILE T . n
+B 2 133 THR 133 133 133 THR THR T . n
+B 2 134 MET 134 134 134 MET MET T . n
+B 2 135 ALA 135 135 135 ALA ALA T . n
+B 2 136 THR 136 136 136 THR THR T . n
+B 2 137 VAL 137 137 137 VAL VAL T . n
+B 2 138 VAL 138 138 138 VAL VAL T . n
+B 2 139 LEU 139 139 139 LEU LEU T . n
+B 2 140 THR 140 140 140 THR THR T . n
+B 2 141 VAL 141 141 141 VAL VAL T . n
+B 2 142 LEU 142 142 142 LEU LEU T . n
+B 2 143 THR 143 143 143 THR THR T . n
+B 2 144 HIS 144 144 144 HIS HIS T . n
+B 2 145 THR 145 145 145 THR THR T . n
+B 2 146 PRO 146 146 146 PRO PRO T . n
+B 2 147 ALA 147 147 147 ALA ALA T . n
+B 2 148 PRO 148 148 148 PRO PRO T . n
+B 2 149 ARG 149 149 149 ARG ARG T . n
+B 2 150 VAL 150 150 150 VAL VAL T . n
+B 2 151 ARG 151 151 151 ARG ARG T . n
+B 2 152 LEU 152 152 152 LEU LEU T . n
+B 2 153 GLY 153 153 153 GLY GLY T . n
+B 2 154 GLN 154 154 154 GLN GLN T . n
+B 2 155 ASP 155 155 155 ASP ASP T . n
+B 2 156 ALA 156 156 156 ALA ALA T . n
+B 2 157 LEU 157 157 157 LEU LEU T . n
+B 2 158 LEU 158 158 158 LEU LEU T . n
+B 2 159 ASP 159 159 159 ASP ASP T . n
+B 2 160 LEU 160 160 160 LEU LEU T . n
+B 2 161 SER 161 161 161 SER SER T . n
+B 2 162 PHE 162 162 162 PHE PHE T . n
+B 2 163 ALA 163 163 163 ALA ALA T . n
+B 2 164 TYR 164 164 164 TYR TYR T . n
+B 2 165 MET 165 165 165 MET MET T . n
+B 2 166 PRO 166 166 166 PRO PRO T . n
+B 2 167 PRO 167 167 167 PRO PRO T . n
+B 2 168 THR 168 168 168 THR THR T . n
+B 2 169 SER 169 169 169 SER SER T . n
+B 2 170 GLU 170 170 170 GLU ALA T . n
+B 2 171 ALA 171 171 171 ALA ALA T . n
+B 2 172 ALA 172 172 172 ALA ALA T . n
+B 2 173 SER 173 173 173 SER ALA T . n
+B 2 174 SER 174 174 174 SER ALA T . n
+B 2 175 LEU 175 175 175 LEU ALA T . n
+B 2 176 ALA 176 176 176 ALA ALA T . n
+B 2 177 PRO 177 177 177 PRO PRO T . n
+B 2 178 GLY 178 178 178 GLY GLY T . n
+B 2 179 PRO 179 179 179 PRO PRO T . n
+B 2 180 PRO 180 180 180 PRO PRO T . n
+B 2 181 PRO 181 181 181 PRO PRO T . n
+B 2 182 PHE 182 182 182 PHE PHE T . n
+B 2 183 GLY 183 183 183 GLY GLY T . n
+B 2 184 LEU 184 184 184 LEU LEU T . n
+B 2 185 GLU 185 185 185 GLU GLU T . n
+B 2 186 TRP 186 186 186 TRP TRP T . n
+B 2 187 ARG 187 187 187 ARG ARG T . n
+B 2 188 ARG 188 188 188 ARG ARG T . n
+B 2 189 GLN 189 189 189 GLN GLN T . n
+B 2 190 HIS 190 190 190 HIS HIS T . n
+B 2 191 LEU 191 191 191 LEU LEU T . n
+B 2 192 GLY 192 192 192 GLY GLY T . n
+B 2 193 LYS 193 193 193 LYS LYS T . n
+B 2 194 GLY 194 194 194 GLY GLY T . n
+B 2 195 HIS 195 195 195 HIS HIS T . n
+B 2 196 LEU 196 196 196 LEU LEU T . n
+B 2 197 LEU 197 197 197 LEU LEU T . n
+B 2 198 LEU 198 198 198 LEU LEU T . n
+B 2 199 ALA 199 199 199 ALA ALA T . n
+B 2 200 ALA 200 200 200 ALA ALA T . n
+B 2 201 THR 201 201 201 THR THR T . n
+B 2 202 PRO 202 202 202 PRO PRO T . n
+B 2 203 GLY 203 203 203 GLY GLY T . n
+B 2 204 LEU 204 204 204 LEU LEU T . n
+B 2 205 ASN 205 205 205 ASN ASN T . n
+B 2 206 GLY 206 206 206 GLY GLY T . n
+B 2 207 GLN 207 207 207 GLN GLN T . n
+B 2 208 MET 208 208 208 MET MET T . n
+B 2 209 PRO 209 209 209 PRO PRO T . n
+B 2 210 ALA 210 210 210 ALA ALA T . n
+B 2 211 ALA 211 211 211 ALA ALA T . n
+B 2 212 GLN 212 212 212 GLN GLN T . n
+B 2 213 GLU 213 213 213 GLU GLU T . n
+B 2 214 GLY 214 214 214 GLY GLY T . n
+B 2 215 ALA 215 215 215 ALA ALA T . n
+B 2 216 VAL 216 216 216 VAL VAL T . n
+B 2 217 ALA 217 217 217 ALA ALA T . n
+B 2 218 PHE 218 218 218 PHE PHE T . n
+B 2 219 ALA 219 219 219 ALA ALA T . n
+B 2 220 ALA 220 220 220 ALA ALA T . n
+B 2 221 TRP 221 221 221 TRP TRP T . n
+B 2 222 ASP 222 222 222 ASP ASP T . n
+B 2 223 ASP 223 223 223 ASP ASP T . n
+B 2 224 ASP 224 224 224 ASP ASP T . n
+B 2 225 GLU 225 225 225 GLU GLU T . n
+B 2 226 PRO 226 226 226 PRO PRO T . n
+B 2 227 TRP 227 227 227 TRP TRP T . n
+B 2 228 GLY 228 228 228 GLY GLY T . n
+B 2 229 PRO 229 229 229 PRO PRO T . n
+B 2 230 TRP 230 230 230 TRP TRP T . n
+B 2 231 THR 231 231 231 THR THR T . n
+B 2 232 GLY 232 232 232 GLY GLY T . n
+B 2 233 ASN 233 233 233 ASN ASN T . n
+B 2 234 GLY 234 234 234 GLY GLY T . n
+B 2 235 THR 235 235 235 THR THR T . n
+B 2 236 PHE 236 236 236 PHE PHE T . n
+B 2 237 TRP 237 237 237 TRP TRP T . n
+B 2 238 LEU 238 238 238 LEU LEU T . n
+B 2 239 PRO 239 239 239 PRO PRO T . n
+B 2 240 ARG 240 240 240 ARG ARG T . n
+B 2 241 VAL 241 241 241 VAL VAL T . n
+B 2 242 GLN 242 242 242 GLN GLN T . n
+B 2 243 PRO 243 243 243 PRO PRO T . n
+B 2 244 PHE 244 244 244 PHE PHE T . n
+B 2 245 GLN 245 245 245 GLN GLN T . n
+B 2 246 GLU 246 246 246 GLU GLU T . n
+B 2 247 GLY 247 247 247 GLY GLY T . n
+B 2 248 THR 248 248 248 THR THR T . n
+B 2 249 TYR 249 249 249 TYR TYR T . n
+B 2 250 LEU 250 250 250 LEU LEU T . n
+B 2 251 ALA 251 251 251 ALA ALA T . n
+B 2 252 THR 252 252 252 THR THR T . n
+B 2 253 ILE 253 253 253 ILE ILE T . n
+B 2 254 HIS 254 254 254 HIS HIS T . n
+B 2 255 LEU 255 255 255 LEU LEU T . n
+B 2 256 PRO 256 256 256 PRO PRO T . n
+B 2 257 TYR 257 257 257 TYR TYR T . n
+B 2 258 LEU 258 258 258 LEU LEU T . n
+B 2 259 GLN 259 259 259 GLN GLN T . n
+B 2 260 GLY 260 260 260 GLY GLY T . n
+B 2 261 GLN 261 261 261 GLN GLN T . n
+B 2 262 VAL 262 262 262 VAL VAL T . n
+B 2 263 THR 263 263 263 THR THR T . n
+B 2 264 LEU 264 264 264 LEU LEU T . n
+B 2 265 GLU 265 265 265 GLU GLU T . n
+B 2 266 LEU 266 266 266 LEU LEU T . n
+B 2 267 ALA 267 267 267 ALA ALA T . n
+B 2 268 VAL 268 268 268 VAL VAL T . n
+B 2 269 TYR 269 269 269 TYR TYR T . n
+B 2 270 LYS 270 270 270 LYS LYS T . n
+B 2 271 PRO 271 271 271 PRO PRO T . n
+B 2 272 PRO 272 272 272 PRO PRO T . n
+B 2 273 LYS 273 273 273 LYS LYS T . n
+B 2 274 VAL 274 274 274 VAL VAL T . n
+B 2 275 SER 275 275 275 SER SER T . n
+B 2 276 LEU 276 276 276 LEU LEU T . n
+B 2 277 MET 277 277 277 MET MET T . n
+B 2 278 PRO 278 278 278 PRO PRO T . n
+B 2 279 ALA 279 279 ? ? ? T . n
+B 2 280 THR 280 280 ? ? ? T . n
+B 2 281 LEU 281 281 ? ? ? T . n
+B 2 282 ALA 282 282 ? ? ? T . n
+B 2 283 ARG 283 283 ? ? ? T . n
+B 2 284 ALA 284 284 ? ? ? T . n
+B 2 285 ALA 285 285 ? ? ? T . n
+B 2 286 PRO 286 286 ? ? ? T . n
+B 2 287 GLY 287 287 ? ? ? T . n
+B 2 288 GLU 288 288 ? ? ? T . n
+B 2 289 ALA 289 289 ? ? ? T . n
+B 2 290 PRO 290 290 ? ? ? T . n
+B 2 291 PRO 291 291 291 PRO PRO T . n
+B 2 292 GLU 292 292 292 GLU GLU T . n
+B 2 293 LEU 293 293 293 LEU LEU T . n
+B 2 294 LEU 294 294 294 LEU LEU T . n
+B 2 295 CYS 295 295 295 CYS CYS T . n
+B 2 296 LEU 296 296 296 LEU LEU T . n
+B 2 297 VAL 297 297 297 VAL VAL T . n
+B 2 298 SER 298 298 298 SER SER T . n
+B 2 299 HIS 299 299 299 HIS HIS T . n
+B 2 300 PHE 300 300 300 PHE PHE T . n
+B 2 301 TYR 301 301 301 TYR TYR T . n
+B 2 302 PRO 302 302 302 PRO PRO T . n
+B 2 303 SER 303 303 303 SER SER T . n
+B 2 304 GLY 304 304 304 GLY GLY T . n
+B 2 305 GLY 305 305 305 GLY GLY T . n
+B 2 306 LEU 306 306 306 LEU LEU T . n
+B 2 307 GLU 307 307 307 GLU GLU T . n
+B 2 308 VAL 308 308 308 VAL VAL T . n
+B 2 309 GLU 309 309 309 GLU GLU T . n
+B 2 310 TRP 310 310 310 TRP TRP T . n
+B 2 311 GLU 311 311 311 GLU GLU T . n
+B 2 312 LEU 312 312 312 LEU LEU T . n
+B 2 313 ARG 313 313 313 ARG ARG T . n
+B 2 314 GLY 314 314 ? ? ? T . n
+B 2 315 GLY 315 315 ? ? ? T . n
+B 2 316 PRO 316 316 ? ? ? T . n
+B 2 317 GLY 317 317 ? ? ? T . n
+B 2 318 GLY 318 318 ? ? ? T . n
+B 2 319 ARG 319 319 ? ? ? T . n
+B 2 320 SER 320 320 320 SER SER T . n
+B 2 321 GLN 321 321 321 GLN GLN T . n
+B 2 322 LYS 322 322 322 LYS LYS T . n
+B 2 323 ALA 323 323 323 ALA ALA T . n
+B 2 324 GLU 324 324 324 GLU GLU T . n
+B 2 325 GLY 325 325 325 GLY GLY T . n
+B 2 326 GLN 326 326 326 GLN GLN T . n
+B 2 327 ARG 327 327 327 ARG ARG T . n
+B 2 328 TRP 328 328 328 TRP TRP T . n
+B 2 329 LEU 329 329 329 LEU LEU T . n
+B 2 330 SER 330 330 330 SER SER T . n
+B 2 331 ALA 331 331 331 ALA ALA T . n
+B 2 332 LEU 332 332 332 LEU LEU T . n
+B 2 333 ARG 333 333 333 ARG ARG T . n
+B 2 334 HIS 334 334 334 HIS HIS T . n
+B 2 335 HIS 335 335 335 HIS HIS T . n
+B 2 336 SER 336 336 336 SER SER T . n
+B 2 337 ASP 337 337 337 ASP ASP T . n
+B 2 338 GLY 338 338 338 GLY GLY T . n
+B 2 339 SER 339 339 339 SER SER T . n
+B 2 340 VAL 340 340 340 VAL VAL T . n
+B 2 341 SER 341 341 341 SER SER T . n
+B 2 342 LEU 342 342 342 LEU LEU T . n
+B 2 343 SER 343 343 343 SER SER T . n
+B 2 344 GLY 344 344 344 GLY GLY T . n
+B 2 345 HIS 345 345 345 HIS HIS T . n
+B 2 346 LEU 346 346 346 LEU LEU T . n
+B 2 347 GLN 347 347 347 GLN GLN T . n
+B 2 348 PRO 348 348 348 PRO PRO T . n
+B 2 349 PRO 349 349 ? ? ? T . n
+B 2 350 PRO 350 350 ? ? ? T . n
+B 2 351 VAL 351 351 ? ? ? T . n
+B 2 352 THR 352 352 ? ? ? T . n
+B 2 353 THR 353 353 ? ? ? T . n
+B 2 354 GLU 354 354 ? ? ? T . n
+B 2 355 GLN 355 355 ? ? ? T . n
+B 2 356 HIS 356 356 ? ? ? T . n
+B 2 357 GLY 357 357 ? ? ? T . n
+B 2 358 ALA 358 358 358 ALA ALA T . n
+B 2 359 ARG 359 359 359 ARG ARG T . n
+B 2 360 TYR 360 360 360 TYR TYR T . n
+B 2 361 ALA 361 361 361 ALA ALA T . n
+B 2 362 CYS 362 362 362 CYS CYS T . n
+B 2 363 ARG 363 363 363 ARG ARG T . n
+B 2 364 ILE 364 364 364 ILE ILE T . n
+B 2 365 HIS 365 365 365 HIS HIS T . n
+B 2 366 HIS 366 366 366 HIS HIS T . n
+B 2 367 PRO 367 367 367 PRO PRO T . n
+B 2 368 SER 368 368 368 SER SER T . n
+B 2 369 LEU 369 369 369 LEU LEU T . n
+B 2 370 PRO 370 370 370 PRO PRO T . n
+B 2 371 ALA 371 371 371 ALA ALA T . n
+B 2 372 SER 372 372 372 SER SER T . n
+B 2 373 GLY 373 373 373 GLY GLY T . n
+B 2 374 ARG 374 374 374 ARG ARG T . n
+B 2 375 SER 375 375 375 SER SER T . n
+B 2 376 ALA 376 376 376 ALA ALA T . n
+B 2 377 GLU 377 377 377 GLU GLU T . n
+B 2 378 VAL 378 378 378 VAL VAL T . n
+B 2 379 THR 379 379 379 THR THR T . n
+B 2 380 LEU 380 380 ? ? ? T . n
+B 2 381 GLU 381 381 ? ? ? T . n
+B 2 382 VAL 382 382 ? ? ? T . n
+B 2 383 ALA 383 383 ? ? ? T . n
+B 2 384 GLY 384 384 ? ? ? T . n
+B 2 385 LEU 385 385 ? ? ? T . n
+B 2 386 SER 386 386 ? ? ? T . n
+B 2 387 GLY 387 387 ? ? ? T . n
+B 2 388 PRO 388 388 ? ? ? T . n
+B 2 389 SER 389 389 ? ? ? T . n
+B 2 390 LEU 390 390 ? ? ? T . n
+B 2 391 GLU 391 391 ? ? ? T . n
+B 2 392 ASP 392 392 ? ? ? T . n
+B 2 393 SER 393 393 ? ? ? T . n
+B 2 394 VAL 394 394 ? ? ? T . n
+B 2 395 GLY 395 395 ? ? ? T . n
+B 2 396 LEU 396 396 ? ? ? T . n
+B 2 397 PHE 397 397 ? ? ? T . n
+B 2 398 LEU 398 398 ? ? ? T . n
+B 2 399 SER 399 399 ? ? ? T . n
+B 2 400 ALA 400 400 ? ? ? T . n
+B 2 401 PHE 401 401 ? ? ? T . n
+B 2 402 LEU 402 402 ? ? ? T . n
+B 2 403 LEU 403 403 ? ? ? T . n
+B 2 404 LEU 404 404 ? ? ? T . n
+B 2 405 GLY 405 405 ? ? ? T . n
+B 2 406 LEU 406 406 ? ? ? T . n
+B 2 407 PHE 407 407 ? ? ? T . n
+B 2 408 LYS 408 408 ? ? ? T . n
+B 2 409 ALA 409 409 ? ? ? T . n
+B 2 410 LEU 410 410 ? ? ? T . n
+B 2 411 GLY 411 411 ? ? ? T . n
+B 2 412 TRP 412 412 ? ? ? T . n
+B 2 413 ALA 413 413 ? ? ? T . n
+B 2 414 ALA 414 414 ? ? ? T . n
+B 2 415 VAL 415 415 ? ? ? T . n
+B 2 416 TYR 416 416 ? ? ? T . n
+B 2 417 LEU 417 417 ? ? ? T . n
+B 2 418 SER 418 418 ? ? ? T . n
+B 2 419 THR 419 419 ? ? ? T . n
+B 2 420 CYS 420 420 ? ? ? T . n
+B 2 421 LYS 421 421 ? ? ? T . n
+B 2 422 ASP 422 422 ? ? ? T . n
+B 2 423 SER 423 423 ? ? ? T . n
+B 2 424 LYS 424 424 ? ? ? T . n
+B 2 425 LYS 425 425 ? ? ? T . n
+B 2 426 LYS 426 426 ? ? ? T . n
+B 2 427 ALA 427 427 ? ? ? T . n
+B 2 428 GLU 428 428 ? ? ? T . n
+C 3 1 SER 1 1 ? ? ? E . n
+C 3 2 ASP 2 2 2 ASP ASP E . n
+C 3 3 VAL 3 3 3 VAL VAL E . n
+C 3 4 LEU 4 4 4 LEU LEU E . n
+C 3 5 GLU 5 5 5 GLU GLU E . n
+C 3 6 LEU 6 6 6 LEU LEU E . n
+C 3 7 THR 7 7 7 THR THR E . n
+C 3 8 ASP 8 8 8 ASP ASP E . n
+C 3 9 ASP 9 9 9 ASP ASP E . n
+C 3 10 ASN 10 10 10 ASN ASN E . n
+C 3 11 PHE 11 11 11 PHE PHE E . n
+C 3 12 GLU 12 12 12 GLU GLU E . n
+C 3 13 SER 13 13 13 SER SER E . n
+C 3 14 ARG 14 14 14 ARG ARG E . n
+C 3 15 ILE 15 15 15 ILE ILE E . n
+C 3 16 SER 16 16 16 SER SER E . n
+C 3 17 ASP 17 17 ? ? ? E . n
+C 3 18 THR 18 18 ? ? ? E . n
+C 3 19 GLY 19 19 ? ? ? E . n
+C 3 20 SER 20 20 ? ? ? E . n
+C 3 21 ALA 21 21 ? ? ? E . n
+C 3 22 GLY 22 22 ? ? ? E . n
+C 3 23 LEU 23 23 23 LEU LEU E . n
+C 3 24 MET 24 24 24 MET MET E . n
+C 3 25 LEU 25 25 25 LEU LEU E . n
+C 3 26 VAL 26 26 26 VAL VAL E . n
+C 3 27 GLU 27 27 27 GLU GLU E . n
+C 3 28 PHE 28 28 28 PHE PHE E . n
+C 3 29 PHE 29 29 29 PHE PHE E . n
+C 3 30 ALA 30 30 30 ALA ALA E . n
+C 3 31 PRO 31 31 31 PRO PRO E . n
+C 3 32 TRP 32 32 32 TRP TRP E . n
+C 3 33 CYS 33 33 33 CYS CYS E . n
+C 3 34 GLY 34 34 34 GLY GLY E . n
+C 3 35 HIS 35 35 35 HIS HIS E . n
+C 3 36 CYS 36 36 36 CYS CYS E . n
+C 3 37 LYS 37 37 37 LYS LYS E . n
+C 3 38 ARG 38 38 38 ARG ARG E . n
+C 3 39 LEU 39 39 39 LEU LEU E . n
+C 3 40 ALA 40 40 40 ALA ALA E . n
+C 3 41 PRO 41 41 41 PRO PRO E . n
+C 3 42 GLU 42 42 42 GLU GLU E . n
+C 3 43 TYR 43 43 43 TYR TYR E . n
+C 3 44 GLU 44 44 44 GLU GLU E . n
+C 3 45 ALA 45 45 45 ALA ALA E . n
+C 3 46 ALA 46 46 46 ALA ALA E . n
+C 3 47 ALA 47 47 47 ALA ALA E . n
+C 3 48 THR 48 48 48 THR THR E . n
+C 3 49 ARG 49 49 49 ARG ARG E . n
+C 3 50 LEU 50 50 50 LEU LEU E . n
+C 3 51 LYS 51 51 51 LYS LYS E . n
+C 3 52 GLY 52 52 52 GLY GLY E . n
+C 3 53 ILE 53 53 53 ILE ILE E . n
+C 3 54 VAL 54 54 54 VAL VAL E . n
+C 3 55 PRO 55 55 55 PRO PRO E . n
+C 3 56 LEU 56 56 56 LEU LEU E . n
+C 3 57 ALA 57 57 57 ALA ALA E . n
+C 3 58 LYS 58 58 58 LYS LYS E . n
+C 3 59 VAL 59 59 59 VAL VAL E . n
+C 3 60 ASP 60 60 60 ASP ASP E . n
+C 3 61 CYS 61 61 61 CYS CYS E . n
+C 3 62 THR 62 62 62 THR THR E . n
+C 3 63 ALA 63 63 63 ALA ALA E . n
+C 3 64 ASN 64 64 64 ASN ASN E . n
+C 3 65 THR 65 65 65 THR THR E . n
+C 3 66 ASN 66 66 66 ASN ASN E . n
+C 3 67 THR 67 67 67 THR THR E . n
+C 3 68 CYS 68 68 68 CYS CYS E . n
+C 3 69 ASN 69 69 69 ASN ASN E . n
+C 3 70 LYS 70 70 70 LYS LYS E . n
+C 3 71 TYR 71 71 71 TYR TYR E . n
+C 3 72 GLY 72 72 72 GLY GLY E . n
+C 3 73 VAL 73 73 73 VAL VAL E . n
+C 3 74 SER 74 74 74 SER SER E . n
+C 3 75 GLY 75 75 75 GLY GLY E . n
+C 3 76 TYR 76 76 76 TYR TYR E . n
+C 3 77 PRO 77 77 77 PRO PRO E . n
+C 3 78 THR 78 78 78 THR THR E . n
+C 3 79 LEU 79 79 79 LEU LEU E . n
+C 3 80 LYS 80 80 80 LYS LYS E . n
+C 3 81 ILE 81 81 81 ILE ILE E . n
+C 3 82 PHE 82 82 82 PHE PHE E . n
+C 3 83 ARG 83 83 83 ARG ARG E . n
+C 3 84 ASP 84 84 84 ASP ASP E . n
+C 3 85 GLY 85 85 85 GLY GLY E . n
+C 3 86 GLU 86 86 86 GLU GLU E . n
+C 3 87 GLU 87 87 87 GLU GLU E . n
+C 3 88 ALA 88 88 88 ALA ALA E . n
+C 3 89 GLY 89 89 89 GLY GLY E . n
+C 3 90 ALA 90 90 90 ALA ALA E . n
+C 3 91 TYR 91 91 91 TYR TYR E . n
+C 3 92 ASP 92 92 92 ASP ASP E . n
+C 3 93 GLY 93 93 93 GLY GLY E . n
+C 3 94 PRO 94 94 94 PRO PRO E . n
+C 3 95 ARG 95 95 95 ARG ARG E . n
+C 3 96 THR 96 96 96 THR THR E . n
+C 3 97 ALA 97 97 97 ALA ALA E . n
+C 3 98 ASP 98 98 98 ASP ASP E . n
+C 3 99 GLY 99 99 99 GLY GLY E . n
+C 3 100 ILE 100 100 100 ILE ILE E . n
+C 3 101 VAL 101 101 101 VAL VAL E . n
+C 3 102 SER 102 102 102 SER SER E . n
+C 3 103 HIS 103 103 103 HIS HIS E . n
+C 3 104 LEU 104 104 104 LEU LEU E . n
+C 3 105 LYS 105 105 105 LYS LYS E . n
+C 3 106 LYS 106 106 106 LYS LYS E . n
+C 3 107 GLN 107 107 107 GLN GLN E . n
+C 3 108 ALA 108 108 108 ALA ALA E . n
+C 3 109 GLY 109 109 109 GLY GLY E . n
+C 3 110 PRO 110 110 110 PRO PRO E . n
+C 3 111 ALA 111 111 111 ALA ALA E . n
+C 3 112 SER 112 112 112 SER SER E . n
+C 3 113 VAL 113 113 113 VAL VAL E . n
+C 3 114 PRO 114 114 114 PRO PRO E . n
+C 3 115 LEU 115 115 115 LEU LEU E . n
+C 3 116 ARG 116 116 116 ARG ARG E . n
+C 3 117 THR 117 117 117 THR THR E . n
+C 3 118 GLU 118 118 118 GLU GLU E . n
+C 3 119 GLU 119 119 119 GLU GLU E . n
+C 3 120 GLU 120 120 120 GLU GLU E . n
+C 3 121 PHE 121 121 121 PHE PHE E . n
+C 3 122 LYS 122 122 122 LYS LYS E . n
+C 3 123 LYS 123 123 123 LYS LYS E . n
+C 3 124 PHE 124 124 124 PHE PHE E . n
+C 3 125 ILE 125 125 125 ILE ILE E . n
+C 3 126 SER 126 126 126 SER SER E . n
+C 3 127 ASP 127 127 127 ASP ASP E . n
+C 3 128 LYS 128 128 128 LYS LYS E . n
+C 3 129 ASP 129 129 129 ASP ASP E . n
+C 3 130 ALA 130 130 130 ALA ALA E . n
+C 3 131 SER 131 131 131 SER SER E . n
+C 3 132 ILE 132 132 132 ILE ILE E . n
+C 3 133 VAL 133 133 133 VAL VAL E . n
+C 3 134 GLY 134 134 134 GLY GLY E . n
+C 3 135 PHE 135 135 135 PHE PHE E . n
+C 3 136 PHE 136 136 136 PHE PHE E . n
+C 3 137 ASP 137 137 137 ASP ASP E . n
+C 3 138 ASP 138 138 138 ASP ASP E . n
+C 3 139 SER 139 139 139 SER SER E . n
+C 3 140 PHE 140 140 140 PHE PHE E . n
+C 3 141 SER 141 141 141 SER SER E . n
+C 3 142 GLU 142 142 142 GLU GLU E . n
+C 3 143 ALA 143 143 143 ALA ALA E . n
+C 3 144 HIS 144 144 144 HIS HIS E . n
+C 3 145 SER 145 145 145 SER SER E . n
+C 3 146 GLU 146 146 146 GLU GLU E . n
+C 3 147 PHE 147 147 147 PHE PHE E . n
+C 3 148 LEU 148 148 148 LEU LEU E . n
+C 3 149 LYS 149 149 149 LYS LYS E . n
+C 3 150 ALA 150 150 150 ALA ALA E . n
+C 3 151 ALA 151 151 151 ALA ALA E . n
+C 3 152 SER 152 152 152 SER SER E . n
+C 3 153 ASN 153 153 153 ASN ASN E . n
+C 3 154 LEU 154 154 154 LEU LEU E . n
+C 3 155 ARG 155 155 155 ARG ARG E . n
+C 3 156 ASP 156 156 156 ASP ASP E . n
+C 3 157 ASN 157 157 157 ASN ASN E . n
+C 3 158 TYR 158 158 158 TYR TYR E . n
+C 3 159 ARG 159 159 159 ARG ARG E . n
+C 3 160 PHE 160 160 160 PHE PHE E . n
+C 3 161 ALA 161 161 161 ALA ALA E . n
+C 3 162 HIS 162 162 162 HIS HIS E . n
+C 3 163 THR 163 163 163 THR THR E . n
+C 3 164 ASN 164 164 164 ASN ASN E . n
+C 3 165 VAL 165 165 165 VAL VAL E . n
+C 3 166 GLU 166 166 166 GLU GLU E . n
+C 3 167 SER 167 167 167 SER SER E . n
+C 3 168 LEU 168 168 168 LEU LEU E . n
+C 3 169 VAL 169 169 169 VAL VAL E . n
+C 3 170 ASN 170 170 170 ASN ASN E . n
+C 3 171 GLU 171 171 171 GLU GLU E . n
+C 3 172 TYR 172 172 172 TYR TYR E . n
+C 3 173 ASP 173 173 173 ASP ASP E . n
+C 3 174 ASP 174 174 174 ASP ASP E . n
+C 3 175 ASN 175 175 175 ASN ASN E . n
+C 3 176 GLY 176 176 176 GLY GLY E . n
+C 3 177 GLU 177 177 177 GLU GLU E . n
+C 3 178 GLY 178 178 178 GLY GLY E . n
+C 3 179 ILE 179 179 179 ILE ILE E . n
+C 3 180 ILE 180 180 180 ILE ILE E . n
+C 3 181 LEU 181 181 181 LEU LEU E . n
+C 3 182 PHE 182 182 182 PHE PHE E . n
+C 3 183 ARG 183 183 183 ARG ARG E . n
+C 3 184 PRO 184 184 184 PRO PRO E . n
+C 3 185 SER 185 185 185 SER SER E . n
+C 3 186 HIS 186 186 186 HIS HIS E . n
+C 3 187 LEU 187 187 187 LEU LEU E . n
+C 3 188 THR 188 188 188 THR THR E . n
+C 3 189 ASN 189 189 189 ASN ASN E . n
+C 3 190 LYS 190 190 190 LYS LYS E . n
+C 3 191 PHE 191 191 191 PHE PHE E . n
+C 3 192 GLU 192 192 192 GLU GLU E . n
+C 3 193 ASP 193 193 193 ASP ASP E . n
+C 3 194 LYS 194 194 194 LYS LYS E . n
+C 3 195 THR 195 195 195 THR THR E . n
+C 3 196 VAL 196 196 196 VAL VAL E . n
+C 3 197 ALA 197 197 197 ALA ALA E . n
+C 3 198 TYR 198 198 198 TYR TYR E . n
+C 3 199 THR 199 199 199 THR THR E . n
+C 3 200 GLU 200 200 200 GLU GLU E . n
+C 3 201 GLN 201 201 201 GLN GLN E . n
+C 3 202 LYS 202 202 202 LYS LYS E . n
+C 3 203 MET 203 203 203 MET MET E . n
+C 3 204 THR 204 204 204 THR THR E . n
+C 3 205 SER 205 205 205 SER SER E . n
+C 3 206 GLY 206 206 206 GLY GLY E . n
+C 3 207 LYS 207 207 207 LYS LYS E . n
+C 3 208 ILE 208 208 208 ILE ILE E . n
+C 3 209 LYS 209 209 209 LYS LYS E . n
+C 3 210 LYS 210 210 210 LYS LYS E . n
+C 3 211 PHE 211 211 211 PHE PHE E . n
+C 3 212 ILE 212 212 212 ILE ILE E . n
+C 3 213 GLN 213 213 213 GLN GLN E . n
+C 3 214 GLU 214 214 214 GLU GLU E . n
+C 3 215 ASN 215 215 215 ASN ASN E . n
+C 3 216 ILE 216 216 216 ILE ILE E . n
+C 3 217 PHE 217 217 217 PHE PHE E . n
+C 3 218 GLY 218 218 218 GLY GLY E . n
+C 3 219 ILE 219 219 219 ILE ILE E . n
+C 3 220 CYS 220 220 220 CYS CYS E . n
+C 3 221 PRO 221 221 221 PRO PRO E . n
+C 3 222 HIS 222 222 222 HIS HIS E . n
+C 3 223 MET 223 223 223 MET MET E . n
+C 3 224 THR 224 224 224 THR THR E . n
+C 3 225 GLU 225 225 225 GLU GLU E . n
+C 3 226 ASP 226 226 226 ASP ASP E . n
+C 3 227 ASN 227 227 227 ASN ASN E . n
+C 3 228 LYS 228 228 228 LYS LYS E . n
+C 3 229 ASP 229 229 229 ASP ASP E . n
+C 3 230 LEU 230 230 230 LEU LEU E . n
+C 3 231 ILE 231 231 231 ILE ILE E . n
+C 3 232 GLN 232 232 232 GLN GLN E . n
+C 3 233 GLY 233 233 233 GLY GLY E . n
+C 3 234 LYS 234 234 234 LYS LYS E . n
+C 3 235 ASP 235 235 235 ASP ASP E . n
+C 3 236 LEU 236 236 236 LEU LEU E . n
+C 3 237 LEU 237 237 237 LEU LEU E . n
+C 3 238 ILE 238 238 238 ILE ILE E . n
+C 3 239 ALA 239 239 239 ALA ALA E . n
+C 3 240 TYR 240 240 240 TYR TYR E . n
+C 3 241 TYR 241 241 241 TYR TYR E . n
+C 3 242 ASP 242 242 242 ASP ASP E . n
+C 3 243 VAL 243 243 243 VAL VAL E . n
+C 3 244 ASP 244 244 244 ASP ASP E . n
+C 3 245 TYR 245 245 245 TYR TYR E . n
+C 3 246 GLU 246 246 246 GLU GLU E . n
+C 3 247 LYS 247 247 247 LYS LYS E . n
+C 3 248 ASN 248 248 248 ASN ASN E . n
+C 3 249 ALA 249 249 249 ALA ALA E . n
+C 3 250 LYS 250 250 250 LYS LYS E . n
+C 3 251 GLY 251 251 251 GLY GLY E . n
+C 3 252 SER 252 252 252 SER SER E . n
+C 3 253 ASN 253 253 253 ASN ASN E . n
+C 3 254 TYR 254 254 254 TYR TYR E . n
+C 3 255 TRP 255 255 255 TRP TRP E . n
+C 3 256 ARG 256 256 256 ARG ARG E . n
+C 3 257 ASN 257 257 257 ASN ASN E . n
+C 3 258 ARG 258 258 258 ARG ARG E . n
+C 3 259 VAL 259 259 259 VAL VAL E . n
+C 3 260 MET 260 260 260 MET MET E . n
+C 3 261 MET 261 261 261 MET MET E . n
+C 3 262 VAL 262 262 262 VAL VAL E . n
+C 3 263 ALA 263 263 263 ALA ALA E . n
+C 3 264 LYS 264 264 264 LYS LYS E . n
+C 3 265 LYS 265 265 265 LYS LYS E . n
+C 3 266 PHE 266 266 266 PHE PHE E . n
+C 3 267 LEU 267 267 267 LEU LEU E . n
+C 3 268 ASP 268 268 268 ASP ASP E . n
+C 3 269 ALA 269 269 269 ALA ALA E . n
+C 3 270 GLY 270 270 270 GLY GLY E . n
+C 3 271 HIS 271 271 271 HIS HIS E . n
+C 3 272 LYS 272 272 272 LYS LYS E . n
+C 3 273 LEU 273 273 273 LEU LEU E . n
+C 3 274 ASN 274 274 274 ASN ASN E . n
+C 3 275 PHE 275 275 275 PHE PHE E . n
+C 3 276 ALA 276 276 276 ALA ALA E . n
+C 3 277 VAL 277 277 277 VAL VAL E . n
+C 3 278 ALA 278 278 278 ALA ALA E . n
+C 3 279 SER 279 279 279 SER SER E . n
+C 3 280 ARG 280 280 280 ARG ARG E . n
+C 3 281 LYS 281 281 281 LYS LYS E . n
+C 3 282 THR 282 282 282 THR THR E . n
+C 3 283 PHE 283 283 283 PHE PHE E . n
+C 3 284 SER 284 284 284 SER SER E . n
+C 3 285 HIS 285 285 285 HIS HIS E . n
+C 3 286 GLU 286 286 286 GLU GLU E . n
+C 3 287 LEU 287 287 287 LEU LEU E . n
+C 3 288 SER 288 288 288 SER SER E . n
+C 3 289 ASP 289 289 289 ASP ASP E . n
+C 3 290 PHE 290 290 290 PHE PHE E . n
+C 3 291 GLY 291 291 291 GLY GLY E . n
+C 3 292 LEU 292 292 292 LEU LEU E . n
+C 3 293 GLU 293 293 293 GLU GLU E . n
+C 3 294 SER 294 294 294 SER SER E . n
+C 3 295 THR 295 295 295 THR THR E . n
+C 3 296 ALA 296 296 296 ALA ALA E . n
+C 3 297 GLY 297 297 297 GLY GLY E . n
+C 3 298 GLU 298 298 298 GLU GLU E . n
+C 3 299 ILE 299 299 299 ILE ILE E . n
+C 3 300 PRO 300 300 300 PRO PRO E . n
+C 3 301 VAL 301 301 301 VAL VAL E . n
+C 3 302 VAL 302 302 302 VAL VAL E . n
+C 3 303 ALA 303 303 303 ALA ALA E . n
+C 3 304 ILE 304 304 304 ILE ILE E . n
+C 3 305 ARG 305 305 305 ARG ARG E . n
+C 3 306 THR 306 306 306 THR THR E . n
+C 3 307 ALA 307 307 307 ALA ALA E . n
+C 3 308 LYS 308 308 308 LYS LYS E . n
+C 3 309 GLY 309 309 309 GLY GLY E . n
+C 3 310 GLU 310 310 310 GLU GLU E . n
+C 3 311 LYS 311 311 311 LYS LYS E . n
+C 3 312 PHE 312 312 312 PHE PHE E . n
+C 3 313 VAL 313 313 313 VAL VAL E . n
+C 3 314 MET 314 314 314 MET MET E . n
+C 3 315 GLN 315 315 315 GLN GLN E . n
+C 3 316 GLU 316 316 316 GLU GLU E . n
+C 3 317 GLU 317 317 317 GLU GLU E . n
+C 3 318 PHE 318 318 318 PHE PHE E . n
+C 3 319 SER 319 319 319 SER SER E . n
+C 3 320 ARG 320 320 320 ARG ARG E . n
+C 3 321 ASP 321 321 321 ASP ASP E . n
+C 3 322 GLY 322 322 322 GLY GLY E . n
+C 3 323 LYS 323 323 323 LYS LYS E . n
+C 3 324 ALA 324 324 324 ALA ALA E . n
+C 3 325 LEU 325 325 325 LEU LEU E . n
+C 3 326 GLU 326 326 326 GLU GLU E . n
+C 3 327 ARG 327 327 327 ARG ARG E . n
+C 3 328 PHE 328 328 328 PHE PHE E . n
+C 3 329 LEU 329 329 329 LEU LEU E . n
+C 3 330 GLN 330 330 330 GLN GLN E . n
+C 3 331 ASP 331 331 331 ASP ASP E . n
+C 3 332 TYR 332 332 332 TYR TYR E . n
+C 3 333 PHE 333 333 333 PHE PHE E . n
+C 3 334 ASP 334 334 334 ASP ASP E . n
+C 3 335 GLY 335 335 335 GLY GLY E . n
+C 3 336 ASN 336 336 336 ASN ASN E . n
+C 3 337 LEU 337 337 337 LEU LEU E . n
+C 3 338 LYS 338 338 338 LYS LYS E . n
+C 3 339 ARG 339 339 339 ARG ARG E . n
+C 3 340 TYR 340 340 340 TYR TYR E . n
+C 3 341 LEU 341 341 341 LEU LEU E . n
+C 3 342 LYS 342 342 342 LYS LYS E . n
+C 3 343 SER 343 343 343 SER SER E . n
+C 3 344 GLU 344 344 344 GLU GLU E . n
+C 3 345 PRO 345 345 345 PRO PRO E . n
+C 3 346 ILE 346 346 346 ILE ILE E . n
+C 3 347 PRO 347 347 347 PRO PRO E . n
+C 3 348 GLU 348 348 348 GLU GLU E . n
+C 3 349 SER 349 349 349 SER SER E . n
+C 3 350 ASN 350 350 350 ASN ASN E . n
+C 3 351 ASP 351 351 351 ASP ASP E . n
+C 3 352 GLY 352 352 352 GLY GLY E . n
+C 3 353 PRO 353 353 353 PRO PRO E . n
+C 3 354 VAL 354 354 354 VAL VAL E . n
+C 3 355 LYS 355 355 355 LYS LYS E . n
+C 3 356 VAL 356 356 356 VAL VAL E . n
+C 3 357 VAL 357 357 357 VAL VAL E . n
+C 3 358 VAL 358 358 358 VAL VAL E . n
+C 3 359 ALA 359 359 359 ALA ALA E . n
+C 3 360 GLU 360 360 360 GLU GLU E . n
+C 3 361 ASN 361 361 361 ASN ASN E . n
+C 3 362 PHE 362 362 362 PHE PHE E . n
+C 3 363 ASP 363 363 363 ASP ASP E . n
+C 3 364 GLU 364 364 364 GLU GLU E . n
+C 3 365 ILE 365 365 365 ILE ILE E . n
+C 3 366 VAL 366 366 366 VAL VAL E . n
+C 3 367 ASN 367 367 367 ASN ASN E . n
+C 3 368 ASN 368 368 368 ASN ASN E . n
+C 3 369 GLU 369 369 369 GLU GLU E . n
+C 3 370 ASN 370 370 370 ASN ASN E . n
+C 3 371 LYS 371 371 371 LYS LYS E . n
+C 3 372 ASP 372 372 372 ASP ASP E . n
+C 3 373 VAL 373 373 373 VAL VAL E . n
+C 3 374 LEU 374 374 374 LEU LEU E . n
+C 3 375 ILE 375 375 375 ILE ILE E . n
+C 3 376 GLU 376 376 376 GLU GLU E . n
+C 3 377 PHE 377 377 377 PHE PHE E . n
+C 3 378 TYR 378 378 378 TYR TYR E . n
+C 3 379 ALA 379 379 379 ALA ALA E . n
+C 3 380 PRO 380 380 380 PRO PRO E . n
+C 3 381 TRP 381 381 381 TRP TRP E . n
+C 3 382 CYS 382 382 382 CYS CYS E . n
+C 3 383 GLY 383 383 383 GLY GLY E . n
+C 3 384 HIS 384 384 384 HIS HIS E . n
+C 3 385 CYS 385 385 385 CYS CYS E . n
+C 3 386 LYS 386 386 386 LYS LYS E . n
+C 3 387 ASN 387 387 387 ASN ASN E . n
+C 3 388 LEU 388 388 388 LEU LEU E . n
+C 3 389 GLU 389 389 389 GLU GLU E . n
+C 3 390 PRO 390 390 390 PRO PRO E . n
+C 3 391 LYS 391 391 391 LYS LYS E . n
+C 3 392 TYR 392 392 392 TYR TYR E . n
+C 3 393 LYS 393 393 393 LYS LYS E . n
+C 3 394 GLU 394 394 394 GLU GLU E . n
+C 3 395 LEU 395 395 395 LEU LEU E . n
+C 3 396 GLY 396 396 396 GLY GLY E . n
+C 3 397 GLU 397 397 397 GLU GLU E . n
+C 3 398 LYS 398 398 398 LYS LYS E . n
+C 3 399 LEU 399 399 399 LEU LEU E . n
+C 3 400 SER 400 400 400 SER SER E . n
+C 3 401 LYS 401 401 401 LYS LYS E . n
+C 3 402 ASP 402 402 402 ASP ASP E . n
+C 3 403 PRO 403 403 403 PRO PRO E . n
+C 3 404 ASN 404 404 404 ASN ASN E . n
+C 3 405 ILE 405 405 405 ILE ILE E . n
+C 3 406 VAL 406 406 406 VAL VAL E . n
+C 3 407 ILE 407 407 407 ILE ILE E . n
+C 3 408 ALA 408 408 408 ALA ALA E . n
+C 3 409 LYS 409 409 409 LYS LYS E . n
+C 3 410 MET 410 410 410 MET MET E . n
+C 3 411 ASP 411 411 411 ASP ASP E . n
+C 3 412 ALA 412 412 412 ALA ALA E . n
+C 3 413 THR 413 413 413 THR THR E . n
+C 3 414 ALA 414 414 414 ALA ALA E . n
+C 3 415 ASN 415 415 415 ASN ASN E . n
+C 3 416 ASP 416 416 416 ASP ASP E . n
+C 3 417 VAL 417 417 417 VAL VAL E . n
+C 3 418 PRO 418 418 418 PRO PRO E . n
+C 3 419 SER 419 419 419 SER SER E . n
+C 3 420 PRO 420 420 420 PRO PRO E . n
+C 3 421 TYR 421 421 421 TYR TYR E . n
+C 3 422 GLU 422 422 422 GLU GLU E . n
+C 3 423 VAL 423 423 423 VAL VAL E . n
+C 3 424 ARG 424 424 424 ARG ARG E . n
+C 3 425 GLY 425 425 425 GLY GLY E . n
+C 3 426 PHE 426 426 426 PHE PHE E . n
+C 3 427 PRO 427 427 427 PRO PRO E . n
+C 3 428 THR 428 428 428 THR THR E . n
+C 3 429 ILE 429 429 429 ILE ILE E . n
+C 3 430 TYR 430 430 430 TYR TYR E . n
+C 3 431 PHE 431 431 431 PHE PHE E . n
+C 3 432 SER 432 432 432 SER SER E . n
+C 3 433 PRO 433 433 433 PRO PRO E . n
+C 3 434 ALA 434 434 434 ALA ALA E . n
+C 3 435 ASN 435 435 435 ASN ASN E . n
+C 3 436 LYS 436 436 436 LYS LYS E . n
+C 3 437 LYS 437 437 437 LYS LYS E . n
+C 3 438 LEU 438 438 438 LEU LEU E . n
+C 3 439 ASN 439 439 439 ASN ASN E . n
+C 3 440 PRO 440 440 440 PRO PRO E . n
+C 3 441 LYS 441 441 441 LYS LYS E . n
+C 3 442 LYS 442 442 442 LYS LYS E . n
+C 3 443 TYR 443 443 443 TYR TYR E . n
+C 3 444 GLU 444 444 444 GLU GLU E . n
+C 3 445 GLY 445 445 445 GLY GLY E . n
+C 3 446 GLY 446 446 446 GLY GLY E . n
+C 3 447 ARG 447 447 447 ARG ARG E . n
+C 3 448 GLU 448 448 448 GLU GLU E . n
+C 3 449 LEU 449 449 449 LEU LEU E . n
+C 3 450 SER 450 450 450 SER SER E . n
+C 3 451 ASP 451 451 451 ASP ASP E . n
+C 3 452 PHE 452 452 452 PHE PHE E . n
+C 3 453 ILE 453 453 453 ILE ILE E . n
+C 3 454 SER 454 454 454 SER SER E . n
+C 3 455 TYR 455 455 455 TYR TYR E . n
+C 3 456 LEU 456 456 456 LEU LEU E . n
+C 3 457 GLN 457 457 457 GLN GLN E . n
+C 3 458 ARG 458 458 458 ARG ARG E . n
+C 3 459 GLU 459 459 459 GLU GLU E . n
+C 3 460 ALA 460 460 460 ALA ALA E . n
+C 3 461 THR 461 461 461 THR THR E . n
+C 3 462 ASN 462 462 462 ASN ASN E . n
+C 3 463 PRO 463 463 463 PRO PRO E . n
+C 3 464 PRO 464 464 464 PRO PRO E . n
+C 3 465 VAL 465 465 465 VAL VAL E . n
+C 3 466 ILE 466 466 466 ILE ILE E . n
+C 3 467 GLN 467 467 ? ? ? E . n
+C 3 468 GLU 468 468 ? ? ? E . n
+C 3 469 GLU 469 469 ? ? ? E . n
+C 3 470 LYS 470 470 ? ? ? E . n
+C 3 471 PRO 471 471 ? ? ? E . n
+C 3 472 LYS 472 472 ? ? ? E . n
+C 3 473 LYS 473 473 ? ? ? E . n
+C 3 474 LYS 474 474 ? ? ? E . n
+C 3 475 LYS 475 475 ? ? ? E . n
+C 3 476 LYS 476 476 ? ? ? E . n
+C 3 477 ALA 477 477 ? ? ? E . n
+C 3 478 GLN 478 478 ? ? ? E . n
+C 3 479 GLU 479 479 ? ? ? E . n
+C 3 480 ASP 480 480 ? ? ? E . n
+C 3 481 LEU 481 481 ? ? ? E . n
+D 4 1 GLY 1 1 1 GLY GLY M . n
+D 4 2 SER 2 2 2 SER SER M . n
+D 4 3 HIS 3 3 3 HIS HIS M . n
+D 4 4 SER 4 4 4 SER SER M . n
+D 4 5 MET 5 5 5 MET MET M . n
+D 4 6 ARG 6 6 6 ARG ARG M . n
+D 4 7 TYR 7 7 7 TYR TYR M . n
+D 4 8 PHE 8 8 8 PHE PHE M . n
+D 4 9 PHE 9 9 9 PHE PHE M . n
+D 4 10 THR 10 10 10 THR THR M . n
+D 4 11 SER 11 11 11 SER SER M . n
+D 4 12 VAL 12 12 12 VAL VAL M . n
+D 4 13 SER 13 13 13 SER SER M . n
+D 4 14 ARG 14 14 14 ARG ARG M . n
+D 4 15 PRO 15 15 15 PRO PRO M . n
+D 4 16 GLY 16 16 16 GLY GLY M . n
+D 4 17 ARG 17 17 17 ARG ARG M . n
+D 4 18 GLY 18 18 18 GLY GLY M . n
+D 4 19 GLU 19 19 19 GLU GLU M . n
+D 4 20 PRO 20 20 20 PRO PRO M . n
+D 4 21 ARG 21 21 21 ARG ARG M . n
+D 4 22 PHE 22 22 22 PHE PHE M . n
+D 4 23 ILE 23 23 23 ILE ILE M . n
+D 4 24 ALA 24 24 24 ALA ALA M . n
+D 4 25 VAL 25 25 25 VAL VAL M . n
+D 4 26 GLY 26 26 26 GLY GLY M . n
+D 4 27 TYR 27 27 27 TYR TYR M . n
+D 4 28 VAL 28 28 28 VAL VAL M . n
+D 4 29 ASP 29 29 29 ASP ASP M . n
+D 4 30 ASP 30 30 30 ASP ASP M . n
+D 4 31 THR 31 31 31 THR THR M . n
+D 4 32 GLN 32 32 32 GLN GLN M . n
+D 4 33 PHE 33 33 33 PHE PHE M . n
+D 4 34 VAL 34 34 34 VAL VAL M . n
+D 4 35 ARG 35 35 35 ARG ARG M . n
+D 4 36 PHE 36 36 36 PHE PHE M . n
+D 4 37 ASP 37 37 37 ASP ASP M . n
+D 4 38 SER 38 38 38 SER SER M . n
+D 4 39 ASP 39 39 39 ASP ASP M . n
+D 4 40 ALA 40 40 40 ALA ALA M . n
+D 4 41 ALA 41 41 41 ALA ALA M . n
+D 4 42 SER 42 42 42 SER SER M . n
+D 4 43 GLN 43 43 43 GLN GLN M . n
+D 4 44 ARG 44 44 44 ARG ARG M . n
+D 4 45 MET 45 45 45 MET MET M . n
+D 4 46 GLU 46 46 46 GLU GLU M . n
+D 4 47 PRO 47 47 47 PRO PRO M . n
+D 4 48 ARG 48 48 48 ARG ARG M . n
+D 4 49 ALA 49 49 49 ALA ALA M . n
+D 4 50 PRO 50 50 50 PRO PRO M . n
+D 4 51 TRP 51 51 51 TRP TRP M . n
+D 4 52 ILE 52 52 52 ILE ILE M . n
+D 4 53 GLU 53 53 53 GLU GLU M . n
+D 4 54 GLN 54 54 54 GLN GLN M . n
+D 4 55 GLU 55 55 55 GLU GLU M . n
+D 4 56 GLY 56 56 56 GLY GLY M . n
+D 4 57 PRO 57 57 57 PRO PRO M . n
+D 4 58 GLU 58 58 58 GLU GLU M . n
+D 4 59 TYR 59 59 59 TYR TYR M . n
+D 4 60 TRP 60 60 60 TRP TRP M . n
+D 4 61 ASP 61 61 61 ASP ASP M . n
+D 4 62 GLN 62 62 62 GLN GLN M . n
+D 4 63 GLU 63 63 63 GLU GLU M . n
+D 4 64 THR 64 64 64 THR THR M . n
+D 4 65 ARG 65 65 65 ARG ARG M . n
+D 4 66 ASN 66 66 66 ASN ASN M . n
+D 4 67 VAL 67 67 67 VAL VAL M . n
+D 4 68 LYS 68 68 68 LYS LYS M . n
+D 4 69 ALA 69 69 69 ALA ALA M . n
+D 4 70 GLN 70 70 70 GLN GLN M . n
+D 4 71 SER 71 71 71 SER SER M . n
+D 4 72 GLN 72 72 72 GLN GLN M . n
+D 4 73 THR 73 73 73 THR THR M . n
+D 4 74 ASP 74 74 74 ASP ASP M . n
+D 4 75 ARG 75 75 75 ARG ARG M . n
+D 4 76 VAL 76 76 76 VAL VAL M . n
+D 4 77 ASP 77 77 77 ASP ASP M . n
+D 4 78 LEU 78 78 78 LEU LEU M . n
+D 4 79 GLY 79 79 79 GLY GLY M . n
+D 4 80 THR 80 80 80 THR THR M . n
+D 4 81 LEU 81 81 81 LEU LEU M . n
+D 4 82 ARG 82 82 82 ARG ARG M . n
+D 4 83 GLY 83 83 83 GLY GLY M . n
+D 4 84 TYR 84 84 84 TYR TYR M . n
+D 4 85 TYR 85 85 85 TYR TYR M . n
+D 4 86 ASN 86 86 86 ASN ASN M . n
+D 4 87 GLN 87 87 87 GLN GLN M . n
+D 4 88 SER 88 88 88 SER SER M . n
+D 4 89 GLU 89 89 89 GLU GLU M . n
+D 4 90 ALA 90 90 90 ALA ALA M . n
+D 4 91 GLY 91 91 91 GLY GLY M . n
+D 4 92 SER 92 92 92 SER SER M . n
+D 4 93 HIS 93 93 93 HIS HIS M . n
+D 4 94 THR 94 94 94 THR THR M . n
+D 4 95 ILE 95 95 95 ILE ILE M . n
+D 4 96 GLN 96 96 96 GLN GLN M . n
+D 4 97 ILE 97 97 97 ILE ILE M . n
+D 4 98 MET 98 98 98 MET MET M . n
+D 4 99 TYR 99 99 99 TYR TYR M . n
+D 4 100 GLY 100 100 100 GLY GLY M . n
+D 4 101 CYS 101 101 101 CYS CYS M . n
+D 4 102 ASP 102 102 102 ASP ASP M . n
+D 4 103 VAL 103 103 103 VAL VAL M . n
+D 4 104 GLY 104 104 104 GLY GLY M . n
+D 4 105 SER 105 105 105 SER SER M . n
+D 4 106 ASP 106 106 106 ASP ASP M . n
+D 4 107 GLY 107 107 107 GLY GLY M . n
+D 4 108 ARG 108 108 108 ARG ARG M . n
+D 4 109 PHE 109 109 109 PHE PHE M . n
+D 4 110 LEU 110 110 110 LEU LEU M . n
+D 4 111 ARG 111 111 111 ARG ARG M . n
+D 4 112 GLY 112 112 112 GLY GLY M . n
+D 4 113 TYR 113 113 113 TYR TYR M . n
+D 4 114 ARG 114 114 114 ARG ARG M . n
+D 4 115 GLN 115 115 115 GLN GLN M . n
+D 4 116 ASP 116 116 116 ASP ASP M . n
+D 4 117 ALA 117 117 117 ALA ALA M . n
+D 4 118 TYR 118 118 118 TYR TYR M . n
+D 4 119 ASP 119 119 119 ASP ASP M . n
+D 4 120 GLY 120 120 120 GLY GLY M . n
+D 4 121 LYS 121 121 121 LYS LYS M . n
+D 4 122 ASP 122 122 122 ASP ASP M . n
+D 4 123 TYR 123 123 123 TYR TYR M . n
+D 4 124 ILE 124 124 124 ILE ILE M . n
+D 4 125 ALA 125 125 125 ALA ALA M . n
+D 4 126 LEU 126 126 126 LEU LEU M . n
+D 4 127 ASN 127 127 127 ASN ASN M . n
+D 4 128 GLU 128 128 128 GLU GLU M . n
+D 4 129 ASP 129 129 129 ASP ASP M . n
+D 4 130 LEU 130 130 130 LEU LEU M . n
+D 4 131 ARG 131 131 131 ARG ARG M . n
+D 4 132 SER 132 132 132 SER SER M . n
+D 4 133 TRP 133 133 133 TRP TRP M . n
+D 4 134 THR 134 134 134 THR THR M . n
+D 4 135 ALA 135 135 135 ALA ALA M . n
+D 4 136 ALA 136 136 136 ALA ALA M . n
+D 4 137 ASP 137 137 137 ASP ASP M . n
+D 4 138 MET 138 138 138 MET MET M . n
+D 4 139 ALA 139 139 139 ALA ALA M . n
+D 4 140 ALA 140 140 140 ALA ALA M . n
+D 4 141 GLN 141 141 141 GLN GLN M . n
+D 4 142 ILE 142 142 142 ILE ILE M . n
+D 4 143 THR 143 143 143 THR THR M . n
+D 4 144 LYS 144 144 144 LYS LYS M . n
+D 4 145 ARG 145 145 145 ARG ARG M . n
+D 4 146 LYS 146 146 146 LYS LYS M . n
+D 4 147 TRP 147 147 147 TRP TRP M . n
+D 4 148 GLU 148 148 148 GLU GLU M . n
+D 4 149 ALA 149 149 149 ALA ALA M . n
+D 4 150 ALA 150 150 150 ALA ALA M . n
+D 4 151 HIS 151 151 151 HIS HIS M . n
+D 4 152 GLU 152 152 152 GLU GLU M . n
+D 4 153 ALA 153 153 153 ALA ALA M . n
+D 4 154 GLU 154 154 154 GLU GLU M . n
+D 4 155 GLN 155 155 155 GLN GLN M . n
+D 4 156 LEU 156 156 156 LEU LEU M . n
+D 4 157 ARG 157 157 157 ARG ARG M . n
+D 4 158 ALA 158 158 158 ALA ALA M . n
+D 4 159 TYR 159 159 159 TYR TYR M . n
+D 4 160 LEU 160 160 160 LEU LEU M . n
+D 4 161 ASP 161 161 161 ASP ASP M . n
+D 4 162 GLY 162 162 162 GLY GLY M . n
+D 4 163 THR 163 163 163 THR THR M . n
+D 4 164 CYS 164 164 164 CYS CYS M . n
+D 4 165 VAL 165 165 165 VAL VAL M . n
+D 4 166 GLU 166 166 166 GLU GLU M . n
+D 4 167 TRP 167 167 167 TRP TRP M . n
+D 4 168 LEU 168 168 168 LEU LEU M . n
+D 4 169 ARG 169 169 169 ARG ARG M . n
+D 4 170 ARG 170 170 170 ARG ARG M . n
+D 4 171 TYR 171 171 171 TYR TYR M . n
+D 4 172 LEU 172 172 172 LEU LEU M . n
+D 4 173 GLU 173 173 173 GLU GLU M . n
+D 4 174 ASN 174 174 174 ASN ASN M . n
+D 4 175 GLY 175 175 175 GLY GLY M . n
+D 4 176 LYS 176 176 176 LYS LYS M . n
+D 4 177 GLU 177 177 177 GLU GLU M . n
+D 4 178 THR 178 178 178 THR THR M . n
+D 4 179 LEU 179 179 179 LEU LEU M . n
+D 4 180 GLN 180 180 180 GLN GLN M . n
+D 4 181 ARG 181 181 181 ARG ARG M . n
+D 4 182 THR 182 182 182 THR THR M . n
+D 4 183 ASP 183 183 183 ASP ASP M . n
+D 4 184 PRO 184 184 184 PRO PRO M . n
+D 4 185 PRO 185 185 185 PRO PRO M . n
+D 4 186 LYS 186 186 186 LYS LYS M . n
+D 4 187 THR 187 187 187 THR THR M . n
+D 4 188 HIS 188 188 188 HIS HIS M . n
+D 4 189 MET 189 189 189 MET MET M . n
+D 4 190 THR 190 190 190 THR THR M . n
+D 4 191 HIS 191 191 191 HIS HIS M . n
+D 4 192 HIS 192 192 192 HIS HIS M . n
+D 4 193 PRO 193 193 193 PRO PRO M . n
+D 4 194 ILE 194 194 194 ILE ILE M . n
+D 4 195 SER 195 195 195 SER SER M . n
+D 4 196 ASP 196 196 196 ASP ASP M . n
+D 4 197 HIS 197 197 197 HIS HIS M . n
+D 4 198 GLU 198 198 198 GLU GLU M . n
+D 4 199 ALA 199 199 199 ALA ALA M . n
+D 4 200 THR 200 200 200 THR THR M . n
+D 4 201 LEU 201 201 201 LEU LEU M . n
+D 4 202 ARG 202 202 202 ARG ARG M . n
+D 4 203 CYS 203 203 203 CYS CYS M . n
+D 4 204 TRP 204 204 204 TRP TRP M . n
+D 4 205 ALA 205 205 205 ALA ALA M . n
+D 4 206 LEU 206 206 206 LEU LEU M . n
+D 4 207 GLY 207 207 207 GLY GLY M . n
+D 4 208 PHE 208 208 208 PHE PHE M . n
+D 4 209 TYR 209 209 209 TYR TYR M . n
+D 4 210 PRO 210 210 210 PRO PRO M . n
+D 4 211 ALA 211 211 211 ALA ALA M . n
+D 4 212 GLU 212 212 212 GLU GLU M . n
+D 4 213 ILE 213 213 213 ILE ILE M . n
+D 4 214 THR 214 214 214 THR THR M . n
+D 4 215 LEU 215 215 215 LEU LEU M . n
+D 4 216 THR 216 216 216 THR THR M . n
+D 4 217 TRP 217 217 217 TRP TRP M . n
+D 4 218 GLN 218 218 218 GLN GLN M . n
+D 4 219 ARG 219 219 219 ARG ARG M . n
+D 4 220 ASP 220 220 220 ASP ASP M . n
+D 4 221 GLY 221 221 221 GLY GLY M . n
+D 4 222 GLU 222 222 222 GLU GLU M . n
+D 4 223 ASP 223 223 223 ASP ASP M . n
+D 4 224 GLN 224 224 224 GLN GLN M . n
+D 4 225 THR 225 225 225 THR THR M . n
+D 4 226 GLN 226 226 226 GLN GLN M . n
+D 4 227 ASP 227 227 227 ASP ASP M . n
+D 4 228 THR 228 228 228 THR THR M . n
+D 4 229 GLU 229 229 229 GLU GLU M . n
+D 4 230 LEU 230 230 230 LEU LEU M . n
+D 4 231 VAL 231 231 231 VAL VAL M . n
+D 4 232 GLU 232 232 232 GLU GLU M . n
+D 4 233 THR 233 233 233 THR THR M . n
+D 4 234 ARG 234 234 234 ARG ARG M . n
+D 4 235 PRO 235 235 235 PRO PRO M . n
+D 4 236 ALA 236 236 236 ALA ALA M . n
+D 4 237 GLY 237 237 237 GLY GLY M . n
+D 4 238 ASP 238 238 238 ASP ASP M . n
+D 4 239 GLY 239 239 239 GLY GLY M . n
+D 4 240 THR 240 240 240 THR THR M . n
+D 4 241 PHE 241 241 241 PHE PHE M . n
+D 4 242 GLN 242 242 242 GLN GLN M . n
+D 4 243 LYS 243 243 243 LYS LYS M . n
+D 4 244 TRP 244 244 244 TRP TRP M . n
+D 4 245 ALA 245 245 245 ALA ALA M . n
+D 4 246 ALA 246 246 246 ALA ALA M . n
+D 4 247 VAL 247 247 247 VAL VAL M . n
+D 4 248 VAL 248 248 248 VAL VAL M . n
+D 4 249 VAL 249 249 249 VAL VAL M . n
+D 4 250 PRO 250 250 250 PRO PRO M . n
+D 4 251 SER 251 251 251 SER SER M . n
+D 4 252 GLY 252 252 252 GLY GLY M . n
+D 4 253 GLU 253 253 253 GLU GLU M . n
+D 4 254 GLU 254 254 254 GLU GLU M . n
+D 4 255 GLN 255 255 255 GLN GLN M . n
+D 4 256 ARG 256 256 256 ARG ARG M . n
+D 4 257 TYR 257 257 257 TYR TYR M . n
+D 4 258 THR 258 258 258 THR THR M . n
+D 4 259 CYS 259 259 259 CYS CYS M . n
+D 4 260 HIS 260 260 260 HIS HIS M . n
+D 4 261 VAL 261 261 261 VAL VAL M . n
+D 4 262 GLN 262 262 262 GLN GLN M . n
+D 4 263 HIS 263 263 263 HIS HIS M . n
+D 4 264 GLU 264 264 264 GLU GLU M . n
+D 4 265 GLY 265 265 265 GLY GLY M . n
+D 4 266 LEU 266 266 266 LEU LEU M . n
+D 4 267 PRO 267 267 267 PRO PRO M . n
+D 4 268 LYS 268 268 268 LYS LYS M . n
+D 4 269 PRO 269 269 269 PRO PRO M . n
+D 4 270 LEU 270 270 270 LEU LEU M . n
+D 4 271 THR 271 271 271 THR THR M . n
+D 4 272 LEU 272 272 272 LEU LEU M . n
+D 4 273 ARG 273 273 273 ARG ARG M . n
+D 4 274 TRP 274 274 274 TRP TRP M . n
+D 4 275 GLU 275 275 ? ? ? M . n
+D 4 276 LEU 276 276 ? ? ? M . n
+D 4 277 SER 277 277 ? ? ? M . n
+D 4 278 SER 278 278 ? ? ? M . n
+D 4 279 GLN 279 279 ? ? ? M . n
+D 4 280 PRO 280 280 ? ? ? M . n
+D 4 281 THR 281 281 ? ? ? M . n
+D 4 282 ILE 282 282 ? ? ? M . n
+D 4 283 PRO 283 283 ? ? ? M . n
+D 4 284 ILE 284 284 ? ? ? M . n
+D 4 285 VAL 285 285 ? ? ? M . n
+D 4 286 GLY 286 286 ? ? ? M . n
+D 4 287 ILE 287 287 ? ? ? M . n
+D 4 288 ILE 288 288 ? ? ? M . n
+D 4 289 ALA 289 289 ? ? ? M . n
+D 4 290 GLY 290 290 ? ? ? M . n
+D 4 291 LEU 291 291 ? ? ? M . n
+D 4 292 VAL 292 292 ? ? ? M . n
+D 4 293 LEU 293 293 ? ? ? M . n
+D 4 294 LEU 294 294 ? ? ? M . n
+D 4 295 GLY 295 295 ? ? ? M . n
+D 4 296 ALA 296 296 ? ? ? M . n
+D 4 297 VAL 297 297 ? ? ? M . n
+D 4 298 ILE 298 298 ? ? ? M . n
+D 4 299 THR 299 299 ? ? ? M . n
+D 4 300 GLY 300 300 ? ? ? M . n
+D 4 301 ALA 301 301 ? ? ? M . n
+D 4 302 VAL 302 302 ? ? ? M . n
+D 4 303 VAL 303 303 ? ? ? M . n
+D 4 304 ALA 304 304 ? ? ? M . n
+D 4 305 ALA 305 305 ? ? ? M . n
+D 4 306 VAL 306 306 ? ? ? M . n
+D 4 307 MET 307 307 ? ? ? M . n
+D 4 308 TRP 308 308 ? ? ? M . n
+D 4 309 ARG 309 309 ? ? ? M . n
+D 4 310 ARG 310 310 ? ? ? M . n
+D 4 311 LYS 311 311 ? ? ? M . n
+D 4 312 SER 312 312 ? ? ? M . n
+D 4 313 SER 313 313 ? ? ? M . n
+D 4 314 ASP 314 314 ? ? ? M . n
+D 4 315 ARG 315 315 ? ? ? M . n
+D 4 316 LYS 316 316 ? ? ? M . n
+D 4 317 GLY 317 317 ? ? ? M . n
+D 4 318 GLY 318 318 ? ? ? M . n
+D 4 319 SER 319 319 ? ? ? M . n
+D 4 320 TYR 320 320 ? ? ? M . n
+D 4 321 THR 321 321 ? ? ? M . n
+D 4 322 GLN 322 322 ? ? ? M . n
+D 4 323 ALA 323 323 ? ? ? M . n
+D 4 324 ALA 324 324 ? ? ? M . n
+D 4 325 SER 325 325 ? ? ? M . n
+D 4 326 SER 326 326 ? ? ? M . n
+D 4 327 ASP 327 327 ? ? ? M . n
+D 4 328 SER 328 328 ? ? ? M . n
+D 4 329 ALA 329 329 ? ? ? M . n
+D 4 330 GLN 330 330 ? ? ? M . n
+D 4 331 GLY 331 331 ? ? ? M . n
+D 4 332 SER 332 332 ? ? ? M . n
+D 4 333 ASP 333 333 ? ? ? M . n
+D 4 334 VAL 334 334 ? ? ? M . n
+D 4 335 SER 335 335 ? ? ? M . n
+D 4 336 LEU 336 336 ? ? ? M . n
+D 4 337 THR 337 337 ? ? ? M . n
+D 4 338 ALA 338 338 ? ? ? M . n
+D 4 339 CYS 339 339 ? ? ? M . n
+D 4 340 LYS 340 340 ? ? ? M . n
+D 4 341 VAL 341 341 ? ? ? M . n
+E 5 1 GLU 1 1 ? ? ? C . n
+E 5 2 PRO 2 2 ? ? ? C . n
+E 5 3 ALA 3 3 ? ? ? C . n
+E 5 4 VAL 4 4 4 VAL VAL C . n
+E 5 5 TYR 5 5 5 TYR TYR C . n
+E 5 6 PHE 6 6 6 PHE PHE C . n
+E 5 7 LYS 7 7 7 LYS LYS C . n
+E 5 8 GLU 8 8 8 GLU GLU C . n
+E 5 9 GLN 9 9 9 GLN GLN C . n
+E 5 10 PHE 10 10 10 PHE PHE C . n
+E 5 11 LEU 11 11 11 LEU LEU C . n
+E 5 12 ASP 12 12 ? ? ? C . n
+E 5 13 GLY 13 13 ? ? ? C . n
+E 5 14 ASP 14 14 14 ASP ASP C . n
+E 5 15 GLY 15 15 15 GLY GLY C . n
+E 5 16 TRP 16 16 16 TRP TRP C . n
+E 5 17 THR 17 17 17 THR THR C . n
+E 5 18 SER 18 18 18 SER SER C . n
+E 5 19 ARG 19 19 19 ARG ARG C . n
+E 5 20 TRP 20 20 20 TRP TRP C . n
+E 5 21 ILE 21 21 21 ILE ILE C . n
+E 5 22 GLU 22 22 22 GLU GLU C . n
+E 5 23 SER 23 23 23 SER SER C . n
+E 5 24 LYS 24 24 24 LYS LYS C . n
+E 5 25 HIS 25 25 25 HIS HIS C . n
+E 5 26 LYS 26 26 26 LYS LYS C . n
+E 5 27 SER 27 27 27 SER SER C . n
+E 5 28 ASP 28 28 28 ASP ASP C . n
+E 5 29 PHE 29 29 29 PHE PHE C . n
+E 5 30 GLY 30 30 30 GLY GLY C . n
+E 5 31 LYS 31 31 31 LYS LYS C . n
+E 5 32 PHE 32 32 32 PHE PHE C . n
+E 5 33 VAL 33 33 33 VAL VAL C . n
+E 5 34 LEU 34 34 34 LEU LEU C . n
+E 5 35 SER 35 35 35 SER SER C . n
+E 5 36 SER 36 36 36 SER SER C . n
+E 5 37 GLY 37 37 37 GLY GLY C . n
+E 5 38 LYS 38 38 38 LYS LYS C . n
+E 5 39 PHE 39 39 39 PHE PHE C . n
+E 5 40 TYR 40 40 40 TYR TYR C . n
+E 5 41 GLY 41 41 41 GLY GLY C . n
+E 5 42 ASP 42 42 42 ASP ASP C . n
+E 5 43 GLU 43 43 43 GLU GLU C . n
+E 5 44 GLU 44 44 44 GLU GLU C . n
+E 5 45 LYS 45 45 45 LYS LYS C . n
+E 5 46 ASP 46 46 46 ASP ASP C . n
+E 5 47 LYS 47 47 47 LYS LYS C . n
+E 5 48 GLY 48 48 48 GLY GLY C . n
+E 5 49 LEU 49 49 49 LEU LEU C . n
+E 5 50 GLN 50 50 50 GLN GLN C . n
+E 5 51 THR 51 51 51 THR THR C . n
+E 5 52 SER 52 52 52 SER SER C . n
+E 5 53 GLN 53 53 53 GLN GLN C . n
+E 5 54 ASP 54 54 54 ASP ASP C . n
+E 5 55 ALA 55 55 55 ALA ALA C . n
+E 5 56 ARG 56 56 56 ARG ARG C . n
+E 5 57 PHE 57 57 57 PHE PHE C . n
+E 5 58 TYR 58 58 58 TYR TYR C . n
+E 5 59 ALA 59 59 59 ALA ALA C . n
+E 5 60 LEU 60 60 60 LEU LEU C . n
+E 5 61 SER 61 61 61 SER SER C . n
+E 5 62 ALA 62 62 62 ALA ALA C . n
+E 5 63 SER 63 63 63 SER SER C . n
+E 5 64 PHE 64 64 64 PHE PHE C . n
+E 5 65 GLU 65 65 65 GLU GLU C . n
+E 5 66 PRO 66 66 66 PRO PRO C . n
+E 5 67 PHE 67 67 67 PHE PHE C . n
+E 5 68 SER 68 68 68 SER SER C . n
+E 5 69 ASN 69 69 69 ASN ASN C . n
+E 5 70 LYS 70 70 70 LYS LYS C . n
+E 5 71 GLY 71 71 71 GLY GLY C . n
+E 5 72 GLN 72 72 72 GLN GLN C . n
+E 5 73 THR 73 73 73 THR THR C . n
+E 5 74 LEU 74 74 74 LEU LEU C . n
+E 5 75 VAL 75 75 75 VAL VAL C . n
+E 5 76 VAL 76 76 76 VAL VAL C . n
+E 5 77 GLN 77 77 77 GLN GLN C . n
+E 5 78 PHE 78 78 78 PHE PHE C . n
+E 5 79 THR 79 79 79 THR THR C . n
+E 5 80 VAL 80 80 80 VAL VAL C . n
+E 5 81 LYS 81 81 81 LYS LYS C . n
+E 5 82 HIS 82 82 82 HIS HIS C . n
+E 5 83 GLU 83 83 83 GLU GLU C . n
+E 5 84 GLN 84 84 84 GLN GLN C . n
+E 5 85 ASN 85 85 85 ASN ASN C . n
+E 5 86 ILE 86 86 86 ILE ILE C . n
+E 5 87 ASP 87 87 87 ASP ASP C . n
+E 5 88 CYS 88 88 88 CYS CYS C . n
+E 5 89 GLY 89 89 89 GLY GLY C . n
+E 5 90 GLY 90 90 90 GLY GLY C . n
+E 5 91 GLY 91 91 91 GLY GLY C . n
+E 5 92 TYR 92 92 92 TYR TYR C . n
+E 5 93 VAL 93 93 93 VAL VAL C . n
+E 5 94 LYS 94 94 94 LYS LYS C . n
+E 5 95 LEU 95 95 95 LEU LEU C . n
+E 5 96 PHE 96 96 96 PHE PHE C . n
+E 5 97 PRO 97 97 97 PRO PRO C . n
+E 5 98 ASN 98 98 98 ASN ASN C . n
+E 5 99 SER 99 99 99 SER SER C . n
+E 5 100 LEU 100 100 100 LEU LEU C . n
+E 5 101 ASP 101 101 101 ASP ASP C . n
+E 5 102 GLN 102 102 102 GLN GLN C . n
+E 5 103 THR 103 103 103 THR THR C . n
+E 5 104 ASP 104 104 104 ASP ASP C . n
+E 5 105 MET 105 105 105 MET MET C . n
+E 5 106 HIS 106 106 106 HIS HIS C . n
+E 5 107 GLY 107 107 107 GLY GLY C . n
+E 5 108 ASP 108 108 108 ASP ASP C . n
+E 5 109 SER 109 109 109 SER SER C . n
+E 5 110 GLU 110 110 110 GLU GLU C . n
+E 5 111 TYR 111 111 111 TYR TYR C . n
+E 5 112 ASN 112 112 112 ASN ASN C . n
+E 5 113 ILE 113 113 113 ILE ILE C . n
+E 5 114 MET 114 114 114 MET MET C . n
+E 5 115 PHE 115 115 115 PHE PHE C . n
+E 5 116 GLY 116 116 116 GLY GLY C . n
+E 5 117 PRO 117 117 117 PRO PRO C . n
+E 5 118 ASP 118 118 118 ASP ASP C . n
+E 5 119 ILE 119 119 119 ILE ILE C . n
+E 5 120 CYS 120 120 120 CYS CYS C . n
+E 5 121 GLY 121 121 121 GLY GLY C . n
+E 5 122 PRO 122 122 122 PRO PRO C . n
+E 5 123 GLY 123 123 123 GLY GLY C . n
+E 5 124 THR 124 124 124 THR THR C . n
+E 5 125 LYS 125 125 125 LYS LYS C . n
+E 5 126 LYS 126 126 126 LYS LYS C . n
+E 5 127 VAL 127 127 127 VAL VAL C . n
+E 5 128 HIS 128 128 128 HIS HIS C . n
+E 5 129 VAL 129 129 129 VAL VAL C . n
+E 5 130 ILE 130 130 130 ILE ILE C . n
+E 5 131 PHE 131 131 131 PHE PHE C . n
+E 5 132 ASN 132 132 132 ASN ASN C . n
+E 5 133 TYR 133 133 133 TYR TYR C . n
+E 5 134 LYS 134 134 134 LYS LYS C . n
+E 5 135 GLY 135 135 135 GLY GLY C . n
+E 5 136 LYS 136 136 136 LYS LYS C . n
+E 5 137 ASN 137 137 137 ASN ASN C . n
+E 5 138 VAL 138 138 138 VAL VAL C . n
+E 5 139 LEU 139 139 139 LEU LEU C . n
+E 5 140 ILE 140 140 140 ILE ILE C . n
+E 5 141 ASN 141 141 141 ASN ASN C . n
+E 5 142 LYS 142 142 142 LYS LYS C . n
+E 5 143 ASP 143 143 143 ASP ASP C . n
+E 5 144 ILE 144 144 144 ILE ILE C . n
+E 5 145 ARG 145 145 145 ARG ARG C . n
+E 5 146 CYS 146 146 146 CYS CYS C . n
+E 5 147 LYS 147 147 147 LYS LYS C . n
+E 5 148 ASP 148 148 148 ASP ASP C . n
+E 5 149 ASP 149 149 149 ASP ASP C . n
+E 5 150 GLU 150 150 150 GLU GLU C . n
+E 5 151 PHE 151 151 151 PHE PHE C . n
+E 5 152 THR 152 152 152 THR THR C . n
+E 5 153 HIS 153 153 153 HIS HIS C . n
+E 5 154 LEU 154 154 154 LEU LEU C . n
+E 5 155 TYR 155 155 155 TYR TYR C . n
+E 5 156 THR 156 156 156 THR THR C . n
+E 5 157 LEU 157 157 157 LEU LEU C . n
+E 5 158 ILE 158 158 158 ILE ILE C . n
+E 5 159 VAL 159 159 159 VAL VAL C . n
+E 5 160 ARG 160 160 160 ARG ARG C . n
+E 5 161 PRO 161 161 161 PRO PRO C . n
+E 5 162 ASP 162 162 162 ASP ASP C . n
+E 5 163 ASN 163 163 163 ASN ASN C . n
+E 5 164 THR 164 164 164 THR THR C . n
+E 5 165 TYR 165 165 165 TYR TYR C . n
+E 5 166 GLU 166 166 166 GLU GLU C . n
+E 5 167 VAL 167 167 167 VAL VAL C . n
+E 5 168 LYS 168 168 168 LYS LYS C . n
+E 5 169 ILE 169 169 169 ILE ILE C . n
+E 5 170 ASP 170 170 170 ASP ASP C . n
+E 5 171 ASN 171 171 171 ASN ASN C . n
+E 5 172 SER 172 172 172 SER SER C . n
+E 5 173 GLN 173 173 173 GLN GLN C . n
+E 5 174 VAL 174 174 174 VAL VAL C . n
+E 5 175 GLU 175 175 175 GLU GLU C . n
+E 5 176 SER 176 176 176 SER SER C . n
+E 5 177 GLY 177 177 177 GLY GLY C . n
+E 5 178 SER 178 178 178 SER SER C . n
+E 5 179 LEU 179 179 179 LEU LEU C . n
+E 5 180 GLU 180 180 180 GLU GLU C . n
+E 5 181 ASP 181 181 181 ASP ASP C . n
+E 5 182 ASP 182 182 182 ASP ASP C . n
+E 5 183 TRP 183 183 183 TRP TRP C . n
+E 5 184 ASP 184 184 184 ASP ASP C . n
+E 5 185 PHE 185 185 185 PHE PHE C . n
+E 5 186 LEU 186 186 186 LEU LEU C . n
+E 5 187 PRO 187 187 187 PRO PRO C . n
+E 5 188 PRO 188 188 188 PRO PRO C . n
+E 5 189 LYS 189 189 189 LYS LYS C . n
+E 5 190 LYS 190 190 190 LYS LYS C . n
+E 5 191 ILE 191 191 191 ILE ILE C . n
+E 5 192 LYS 192 192 192 LYS LYS C . n
+E 5 193 ASP 193 193 193 ASP ASP C . n
+E 5 194 PRO 194 194 194 PRO PRO C . n
+E 5 195 ASP 195 195 195 ASP ASP C . n
+E 5 196 ALA 196 196 196 ALA ALA C . n
+E 5 197 SER 197 197 197 SER SER C . n
+E 5 198 LYS 198 198 198 LYS LYS C . n
+E 5 199 PRO 199 199 199 PRO PRO C . n
+E 5 200 GLU 200 200 200 GLU GLU C . n
+E 5 201 ASP 201 201 201 ASP ASP C . n
+E 5 202 TRP 202 202 202 TRP TRP C . n
+E 5 203 ASP 203 203 203 ASP ASP C . n
+E 5 204 GLU 204 204 204 GLU GLU C . n
+E 5 205 ARG 205 205 205 ARG ARG C . n
+E 5 206 ALA 206 206 206 ALA ALA C . n
+E 5 207 LYS 207 207 207 LYS LYS C . n
+E 5 208 ILE 208 208 208 ILE ILE C . n
+E 5 209 ASP 209 209 209 ASP ASP C . n
+E 5 210 ASP 210 210 210 ASP ASP C . n
+E 5 211 PRO 211 211 211 PRO PRO C . n
+E 5 212 THR 212 212 212 THR THR C . n
+E 5 213 ASP 213 213 213 ASP ASP C . n
+E 5 214 SER 214 214 214 SER SER C . n
+E 5 215 LYS 215 215 215 LYS LYS C . n
+E 5 216 PRO 216 216 216 PRO PRO C . n
+E 5 217 GLU 217 217 217 GLU GLU C . n
+E 5 218 ASP 218 218 218 ASP ASP C . n
+E 5 219 TRP 219 219 219 TRP TRP C . n
+E 5 220 ASP 220 220 220 ASP ASP C . n
+E 5 221 LYS 221 221 221 LYS LYS C . n
+E 5 222 PRO 222 222 222 PRO PRO C . n
+E 5 223 GLU 223 223 223 GLU GLU C . n
+E 5 224 HIS 224 224 224 HIS HIS C . n
+E 5 225 ILE 225 225 225 ILE ILE C . n
+E 5 226 PRO 226 226 226 PRO PRO C . n
+E 5 227 ASP 227 227 227 ASP ASP C . n
+E 5 228 PRO 228 228 228 PRO PRO C . n
+E 5 229 ASP 229 229 229 ASP ASP C . n
+E 5 230 ALA 230 230 230 ALA ALA C . n
+E 5 231 LYS 231 231 231 LYS LYS C . n
+E 5 232 LYS 232 232 232 LYS LYS C . n
+E 5 233 PRO 233 233 233 PRO PRO C . n
+E 5 234 GLU 234 234 234 GLU GLU C . n
+E 5 235 ASP 235 235 235 ASP ASP C . n
+E 5 236 TRP 236 236 236 TRP TRP C . n
+E 5 237 ASP 237 237 237 ASP ASP C . n
+E 5 238 GLU 238 238 238 GLU GLU C . n
+E 5 239 GLU 239 239 239 GLU GLU C . n
+E 5 240 MET 240 240 240 MET MET C . n
+E 5 241 ASP 241 241 241 ASP ASP C . n
+E 5 242 GLY 242 242 242 GLY GLY C . n
+E 5 243 GLU 243 243 243 GLU GLU C . n
+E 5 244 TRP 244 244 244 TRP TRP C . n
+E 5 245 GLU 245 245 245 GLU GLU C . n
+E 5 246 PRO 246 246 246 PRO PRO C . n
+E 5 247 PRO 247 247 247 PRO PRO C . n
+E 5 248 VAL 248 248 248 VAL VAL C . n
+E 5 249 ILE 249 249 249 ILE ILE C . n
+E 5 250 GLN 250 250 250 GLN GLN C . n
+E 5 251 ASN 251 251 251 ASN ASN C . n
+E 5 252 PRO 252 252 252 PRO PRO C . n
+E 5 253 GLU 253 253 253 GLU GLU C . n
+E 5 254 TYR 254 254 254 TYR TYR C . n
+E 5 255 LYS 255 255 255 LYS LYS C . n
+E 5 256 GLY 256 256 256 GLY GLY C . n
+E 5 257 GLU 257 257 257 GLU GLU C . n
+E 5 258 TRP 258 258 258 TRP TRP C . n
+E 5 259 LYS 259 259 259 LYS LYS C . n
+E 5 260 PRO 260 260 260 PRO PRO C . n
+E 5 261 ARG 261 261 261 ARG ARG C . n
+E 5 262 GLN 262 262 262 GLN GLN C . n
+E 5 263 ILE 263 263 263 ILE ILE C . n
+E 5 264 ASP 264 264 264 ASP ASP C . n
+E 5 265 ASN 265 265 265 ASN ASN C . n
+E 5 266 PRO 266 266 266 PRO PRO C . n
+E 5 267 ASP 267 267 267 ASP ASP C . n
+E 5 268 TYR 268 268 268 TYR TYR C . n
+E 5 269 LYS 269 269 269 LYS LYS C . n
+E 5 270 GLY 270 270 270 GLY GLY C . n
+E 5 271 THR 271 271 271 THR THR C . n
+E 5 272 TRP 272 272 272 TRP TRP C . n
+E 5 273 ILE 273 273 273 ILE ILE C . n
+E 5 274 HIS 274 274 274 HIS HIS C . n
+E 5 275 PRO 275 275 275 PRO PRO C . n
+E 5 276 GLU 276 276 276 GLU GLU C . n
+E 5 277 ILE 277 277 277 ILE ILE C . n
+E 5 278 ASP 278 278 278 ASP ASP C . n
+E 5 279 ASN 279 279 279 ASN ASN C . n
+E 5 280 PRO 280 280 280 PRO PRO C . n
+E 5 281 GLU 281 281 281 GLU GLU C . n
+E 5 282 TYR 282 282 282 TYR TYR C . n
+E 5 283 SER 283 283 283 SER SER C . n
+E 5 284 PRO 284 284 284 PRO PRO C . n
+E 5 285 ASP 285 285 285 ASP ASP C . n
+E 5 286 PRO 286 286 286 PRO PRO C . n
+E 5 287 SER 287 287 287 SER SER C . n
+E 5 288 ILE 288 288 288 ILE ILE C . n
+E 5 289 TYR 289 289 289 TYR TYR C . n
+E 5 290 ALA 290 290 290 ALA ALA C . n
+E 5 291 TYR 291 291 291 TYR TYR C . n
+E 5 292 ASP 292 292 292 ASP ASP C . n
+E 5 293 ASN 293 293 293 ASN ASN C . n
+E 5 294 PHE 294 294 294 PHE PHE C . n
+E 5 295 GLY 295 295 295 GLY GLY C . n
+E 5 296 VAL 296 296 296 VAL VAL C . n
+E 5 297 LEU 297 297 297 LEU LEU C . n
+E 5 298 GLY 298 298 298 GLY GLY C . n
+E 5 299 LEU 299 299 299 LEU LEU C . n
+E 5 300 ASP 300 300 300 ASP ASP C . n
+E 5 301 LEU 301 301 301 LEU LEU C . n
+E 5 302 TRP 302 302 302 TRP TRP C . n
+E 5 303 GLN 303 303 303 GLN GLN C . n
+E 5 304 VAL 304 304 304 VAL VAL C . n
+E 5 305 LYS 305 305 305 LYS LYS C . n
+E 5 306 SER 306 306 306 SER SER C . n
+E 5 307 GLY 307 307 307 GLY GLY C . n
+E 5 308 THR 308 308 308 THR THR C . n
+E 5 309 ILE 309 309 309 ILE ILE C . n
+E 5 310 PHE 310 310 310 PHE PHE C . n
+E 5 311 ASP 311 311 311 ASP ASP C . n
+E 5 312 ASN 312 312 312 ASN ASN C . n
+E 5 313 PHE 313 313 313 PHE PHE C . n
+E 5 314 LEU 314 314 314 LEU LEU C . n
+E 5 315 ILE 315 315 315 ILE ILE C . n
+E 5 316 THR 316 316 316 THR THR C . n
+E 5 317 ASN 317 317 317 ASN ASN C . n
+E 5 318 ASP 318 318 318 ASP ASP C . n
+E 5 319 GLU 319 319 319 GLU GLU C . n
+E 5 320 ALA 320 320 320 ALA ALA C . n
+E 5 321 TYR 321 321 321 TYR TYR C . n
+E 5 322 ALA 322 322 322 ALA ALA C . n
+E 5 323 GLU 323 323 323 GLU GLU C . n
+E 5 324 GLU 324 324 324 GLU GLU C . n
+E 5 325 PHE 325 325 325 PHE PHE C . n
+E 5 326 GLY 326 326 326 GLY GLY C . n
+E 5 327 ASN 327 327 327 ASN ASN C . n
+E 5 328 GLU 328 328 328 GLU GLU C . n
+E 5 329 THR 329 329 329 THR THR C . n
+E 5 330 TRP 330 330 330 TRP TRP C . n
+E 5 331 GLY 331 331 331 GLY GLY C . n
+E 5 332 VAL 332 332 332 VAL VAL C . n
+E 5 333 THR 333 333 333 THR THR C . n
+E 5 334 LYS 334 334 334 LYS LYS C . n
+E 5 335 ALA 335 335 335 ALA ALA C . n
+E 5 336 ALA 336 336 336 ALA ALA C . n
+E 5 337 GLU 337 337 337 GLU GLU C . n
+E 5 338 LYS 338 338 338 LYS LYS C . n
+E 5 339 GLN 339 339 339 GLN GLN C . n
+E 5 340 MET 340 340 340 MET MET C . n
+E 5 341 LYS 341 341 341 LYS LYS C . n
+E 5 342 ASP 342 342 342 ASP ASP C . n
+E 5 343 LYS 343 343 343 LYS LYS C . n
+E 5 344 GLN 344 344 344 GLN GLN C . n
+E 5 345 ASP 345 345 345 ASP ASP C . n
+E 5 346 GLU 346 346 346 GLU GLU C . n
+E 5 347 GLU 347 347 347 GLU GLU C . n
+E 5 348 GLN 348 348 348 GLN GLN C . n
+E 5 349 ARG 349 349 349 ARG ARG C . n
+E 5 350 LEU 350 350 350 LEU LEU C . n
+E 5 351 LYS 351 351 351 LYS LYS C . n
+E 5 352 GLU 352 352 352 GLU GLU C . n
+E 5 353 GLU 353 353 353 GLU GLU C . n
+E 5 354 GLU 354 354 354 GLU GLU C . n
+E 5 355 GLU 355 355 355 GLU GLU C . n
+E 5 356 ASP 356 356 356 ASP ASP C . n
+E 5 357 LYS 357 357 357 LYS LYS C . n
+E 5 358 LYS 358 358 358 LYS LYS C . n
+E 5 359 ARG 359 359 359 ARG ARG C . n
+E 5 360 LYS 360 360 360 LYS LYS C . n
+E 5 361 GLU 361 361 361 GLU GLU C . n
+E 5 362 GLU 362 362 362 GLU GLU C . n
+E 5 363 GLU 363 363 363 GLU GLU C . n
+E 5 364 GLU 364 364 364 GLU GLU C . n
+E 5 365 ALA 365 365 365 ALA ALA C . n
+E 5 366 GLU 366 366 366 GLU GLU C . n
+E 5 367 ASP 367 367 367 ASP ASP C . n
+E 5 368 LYS 368 368 368 LYS LYS C . n
+E 5 369 GLU 369 369 369 GLU GLU C . n
+E 5 370 ASP 370 370 ? ? ? C . n
+E 5 371 ASP 371 371 ? ? ? C . n
+E 5 372 GLU 372 372 ? ? ? C . n
+E 5 373 ASP 373 373 ? ? ? C . n
+E 5 374 LYS 374 374 ? ? ? C . n
+E 5 375 ASP 375 375 ? ? ? C . n
+E 5 376 GLU 376 376 ? ? ? C . n
+E 5 377 ASP 377 377 ? ? ? C . n
+E 5 378 GLU 378 378 ? ? ? C . n
+E 5 379 GLU 379 379 ? ? ? C . n
+E 5 380 ASP 380 380 ? ? ? C . n
+E 5 381 GLU 381 381 ? ? ? C . n
+E 5 382 GLU 382 382 ? ? ? C . n
+E 5 383 ASP 383 383 ? ? ? C . n
+E 5 384 LYS 384 384 ? ? ? C . n
+E 5 385 GLU 385 385 ? ? ? C . n
+E 5 386 GLU 386 386 ? ? ? C . n
+E 5 387 ASP 387 387 ? ? ? C . n
+E 5 388 GLU 388 388 ? ? ? C . n
+E 5 389 GLU 389 389 ? ? ? C . n
+E 5 390 GLU 390 390 ? ? ? C . n
+E 5 391 ASP 391 391 ? ? ? C . n
+E 5 392 VAL 392 392 ? ? ? C . n
+E 5 393 PRO 393 393 ? ? ? C . n
+E 5 394 GLY 394 394 ? ? ? C . n
+E 5 395 GLN 395 395 ? ? ? C . n
+E 5 396 ALA 396 396 ? ? ? C . n
+E 5 397 LYS 397 397 ? ? ? C . n
+E 5 398 ASP 398 398 ? ? ? C . n
+E 5 399 GLU 399 399 ? ? ? C . n
+E 5 400 LEU 400 400 ? ? ? C . n
+
+_pdbx_contact_author.id 2
+_pdbx_contact_author.email tampe@em.uni-frankfurt.de
+_pdbx_contact_author.name_first Robert
+_pdbx_contact_author.name_last Tampe
+_pdbx_contact_author.name_mi ?
+_pdbx_contact_author.role 'principal investigator/group leader'
+_pdbx_contact_author.identifier_ORCID 0000-0002-0403-2160
+
+loop_
+_pdbx_struct_assembly.id
+_pdbx_struct_assembly.details
+_pdbx_struct_assembly.method_details
+_pdbx_struct_assembly.oligomeric_details
+_pdbx_struct_assembly.oligomeric_count
+1 author_and_software_defined_assembly PISA pentameric 5
+
+loop_
+_pdbx_struct_assembly_gen.assembly_id
+_pdbx_struct_assembly_gen.oper_expression
+_pdbx_struct_assembly_gen.asym_id_list
+1 1 A,B,C,D,E,F,G
+
+loop_
+_pdbx_struct_assembly_prop.biol_id
+_pdbx_struct_assembly_prop.type
+_pdbx_struct_assembly_prop.value
+1 'ABSA (A^2)' 13480
+1 'SSA (A^2)' 71610
+1 MORE -16
+
+loop_
+_pdbx_struct_oper_list.id
+_pdbx_struct_oper_list.type
+_pdbx_struct_oper_list.matrix[1][1]
+_pdbx_struct_oper_list.matrix[1][2]
+_pdbx_struct_oper_list.matrix[1][3]
+_pdbx_struct_oper_list.vector[1]
+_pdbx_struct_oper_list.matrix[2][1]
+_pdbx_struct_oper_list.matrix[2][2]
+_pdbx_struct_oper_list.matrix[2][3]
+_pdbx_struct_oper_list.vector[2]
+_pdbx_struct_oper_list.matrix[3][1]
+_pdbx_struct_oper_list.matrix[3][2]
+_pdbx_struct_oper_list.matrix[3][3]
+_pdbx_struct_oper_list.vector[3]
+1 'identity operation' 1 0 0 0 0 1 0 0 0 0 1 0
+
+loop_
+_pdbx_audit_revision_history.ordinal
+_pdbx_audit_revision_history.data_content_type
+_pdbx_audit_revision_history.major_revision
+_pdbx_audit_revision_history.minor_revision
+_pdbx_audit_revision_history.revision_date
+1 'Structure model' 1 0 2022-07-20
+2 'Structure model' 1 1 2022-08-24
+
+_pdbx_audit_revision_details.ordinal 1
+_pdbx_audit_revision_details.revision_ordinal 1
+_pdbx_audit_revision_details.data_content_type 'Structure model'
+_pdbx_audit_revision_details.provider repository
+_pdbx_audit_revision_details.type 'Initial release'
+_pdbx_audit_revision_details.description ?
+_pdbx_audit_revision_details.details ?
+
+_pdbx_audit_revision_group.ordinal 1
+_pdbx_audit_revision_group.revision_ordinal 2
+_pdbx_audit_revision_group.data_content_type 'Structure model'
+_pdbx_audit_revision_group.group 'Database references'
+
+loop_
+_pdbx_audit_revision_category.ordinal
+_pdbx_audit_revision_category.revision_ordinal
+_pdbx_audit_revision_category.data_content_type
+_pdbx_audit_revision_category.category
+1 2 'Structure model' citation
+2 2 'Structure model' citation_author
+
+loop_
+_pdbx_audit_revision_item.ordinal
+_pdbx_audit_revision_item.revision_ordinal
+_pdbx_audit_revision_item.data_content_type
+_pdbx_audit_revision_item.item
+1 2 'Structure model' '_citation.country'
+2 2 'Structure model' '_citation.journal_abbrev'
+3 2 'Structure model' '_citation.journal_id_CSD'
+4 2 'Structure model' '_citation.journal_id_ISSN'
+5 2 'Structure model' '_citation.journal_volume'
+6 2 'Structure model' '_citation.page_first'
+7 2 'Structure model' '_citation.page_last'
+8 2 'Structure model' '_citation.pdbx_database_id_DOI'
+9 2 'Structure model' '_citation.pdbx_database_id_PubMed'
+10 2 'Structure model' '_citation.title'
+11 2 'Structure model' '_citation.year'
+
+_pdbx_entry_details.entry_id 7QPD
+_pdbx_entry_details.has_ligand_of_interest Y
+_pdbx_entry_details.compound_details ?
+_pdbx_entry_details.source_details ?
+_pdbx_entry_details.nonpolymer_details ?
+_pdbx_entry_details.sequence_details ?
+
+_em_3d_fitting.entry_id 7QPD
+_em_3d_fitting.id 1
+_em_3d_fitting.details ?
+_em_3d_fitting.overall_b_value ?
+_em_3d_fitting.ref_protocol ?
+_em_3d_fitting.ref_space ?
+_em_3d_fitting.target_criteria ?
+_em_3d_fitting.method ?
+
+_em_3d_reconstruction.entry_id 7QPD
+_em_3d_reconstruction.id 1
+_em_3d_reconstruction.algorithm ?
+_em_3d_reconstruction.details ?
+_em_3d_reconstruction.refinement_type ?
+_em_3d_reconstruction.image_processing_id 1
+_em_3d_reconstruction.num_class_averages ?
+_em_3d_reconstruction.num_particles 97952
+_em_3d_reconstruction.resolution 3.73
+_em_3d_reconstruction.resolution_method 'FSC 0.143 CUT-OFF'
+_em_3d_reconstruction.symmetry_type POINT
+_em_3d_reconstruction.method ?
+_em_3d_reconstruction.nominal_pixel_size ?
+_em_3d_reconstruction.actual_pixel_size ?
+_em_3d_reconstruction.magnification_calibration ?
+
+_em_buffer.id 1
+_em_buffer.details ?
+_em_buffer.pH 7.4
+_em_buffer.specimen_id 1
+_em_buffer.name ?
+
+_em_entity_assembly.id 1
+_em_entity_assembly.parent_id 0
+_em_entity_assembly.details ?
+_em_entity_assembly.name 'editing module of peptide-loading complex'
+_em_entity_assembly.source NATURAL
+_em_entity_assembly.type COMPLEX
+_em_entity_assembly.entity_id_list '1, 2, 3, 4, 5'
+_em_entity_assembly.synonym ?
+_em_entity_assembly.oligomeric_details ?
+
+_em_imaging.id 1
+_em_imaging.entry_id 7QPD
+_em_imaging.accelerating_voltage 300
+_em_imaging.alignment_procedure ?
+_em_imaging.c2_aperture_diameter ?
+_em_imaging.calibrated_defocus_max ?
+_em_imaging.calibrated_defocus_min ?
+_em_imaging.calibrated_magnification ?
+_em_imaging.cryogen ?
+_em_imaging.details ?
+_em_imaging.electron_source 'FIELD EMISSION GUN'
+_em_imaging.illumination_mode 'FLOOD BEAM'
+_em_imaging.microscope_model 'FEI TITAN KRIOS'
+_em_imaging.mode 'BRIGHT FIELD'
+_em_imaging.nominal_cs ?
+_em_imaging.nominal_defocus_max 2500
+_em_imaging.nominal_defocus_min 1000
+_em_imaging.nominal_magnification ?
+_em_imaging.recording_temperature_maximum ?
+_em_imaging.recording_temperature_minimum ?
+_em_imaging.residual_tilt ?
+_em_imaging.specimen_holder_model ?
+_em_imaging.specimen_id 1
+_em_imaging.citation_id ?
+_em_imaging.date ?
+_em_imaging.temperature ?
+_em_imaging.tilt_angle_min ?
+_em_imaging.tilt_angle_max ?
+_em_imaging.astigmatism ?
+_em_imaging.detector_distance ?
+_em_imaging.electron_beam_tilt_params ?
+_em_imaging.specimen_holder_type ?
+
+_em_vitrification.id 1
+_em_vitrification.specimen_id 1
+_em_vitrification.chamber_temperature ?
+_em_vitrification.cryogen_name ETHANE
+_em_vitrification.details ?
+_em_vitrification.humidity ?
+_em_vitrification.instrument ?
+_em_vitrification.entry_id 7QPD
+_em_vitrification.citation_id ?
+_em_vitrification.method ?
+_em_vitrification.temp ?
+_em_vitrification.time_resolved_state ?
+
+_em_experiment.entry_id 7QPD
+_em_experiment.id 1
+_em_experiment.aggregation_state PARTICLE
+_em_experiment.reconstruction_method 'SINGLE PARTICLE'
+_em_experiment.entity_assembly_id 1
+
+loop_
+_pdbx_validate_torsion.id
+_pdbx_validate_torsion.PDB_model_num
+_pdbx_validate_torsion.auth_comp_id
+_pdbx_validate_torsion.auth_asym_id
+_pdbx_validate_torsion.auth_seq_id
+_pdbx_validate_torsion.PDB_ins_code
+_pdbx_validate_torsion.label_alt_id
+_pdbx_validate_torsion.phi
+_pdbx_validate_torsion.psi
+1 1 TYR B 10 ? ? -161.36 -165.40
+2 1 PRO B 32 ? ? -77.29 -160.10
+3 1 ALA T 147 ? ? -158.74 73.21
+4 1 SER T 174 ? ? -90.93 53.29
+5 1 PRO T 256 ? ? -51.84 108.41
+6 1 SER T 298 ? ? -79.24 -167.33
+7 1 LEU E 79 ? ? -39.66 120.55
+8 1 LEU E 154 ? ? -99.29 31.22
+9 1 ASP E 173 ? ? 68.68 -71.67
+10 1 ASN E 175 ? ? -146.76 -1.25
+11 1 ILE E 219 ? ? -122.27 -51.59
+12 1 GLU E 225 ? ? 71.54 -7.25
+13 1 LEU E 273 ? ? -160.91 117.28
+14 1 GLU E 293 ? ? 53.79 -119.04
+15 1 ILE E 365 ? ? -92.73 -62.35
+16 1 SER E 419 ? ? 65.69 178.17
+17 1 ASP M 29 ? ? 57.22 -140.36
+18 1 GLU M 46 ? ? -38.60 124.49
+19 1 LYS C 125 ? ? -140.75 37.62
+20 1 PRO C 161 ? ? -64.13 3.25
+21 1 ASP C 162 ? ? -97.20 39.61
+22 1 ASN C 163 ? ? 36.34 45.72
+23 1 GLU C 257 ? ? 51.79 -117.76
+24 1 PRO C 260 ? ? -83.79 46.47
+25 1 SER C 283 ? ? -154.42 65.62
+
+loop_
+_pdbx_unobs_or_zero_occ_atoms.id
+_pdbx_unobs_or_zero_occ_atoms.PDB_model_num
+_pdbx_unobs_or_zero_occ_atoms.polymer_flag
+_pdbx_unobs_or_zero_occ_atoms.occupancy_flag
+_pdbx_unobs_or_zero_occ_atoms.auth_asym_id
+_pdbx_unobs_or_zero_occ_atoms.auth_comp_id
+_pdbx_unobs_or_zero_occ_atoms.auth_seq_id
+_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
+_pdbx_unobs_or_zero_occ_atoms.auth_atom_id
+_pdbx_unobs_or_zero_occ_atoms.label_alt_id
+_pdbx_unobs_or_zero_occ_atoms.label_asym_id
+_pdbx_unobs_or_zero_occ_atoms.label_comp_id
+_pdbx_unobs_or_zero_occ_atoms.label_seq_id
+_pdbx_unobs_or_zero_occ_atoms.label_atom_id
+1 1 Y 1 B ILE 1 ? CG1 ? A ILE 1 CG1
+2 1 Y 1 B ILE 1 ? CG2 ? A ILE 1 CG2
+3 1 Y 1 B ILE 1 ? CD1 ? A ILE 1 CD1
+4 1 Y 1 B GLU 16 ? CG ? A GLU 16 CG
+5 1 Y 1 B GLU 16 ? CD ? A GLU 16 CD
+6 1 Y 1 B GLU 16 ? OE1 ? A GLU 16 OE1
+7 1 Y 1 B GLU 16 ? OE2 ? A GLU 16 OE2
+8 1 Y 1 B GLU 36 ? CG ? A GLU 36 CG
+9 1 Y 1 B GLU 36 ? CD ? A GLU 36 CD
+10 1 Y 1 B GLU 36 ? OE1 ? A GLU 36 OE1
+11 1 Y 1 B GLU 36 ? OE2 ? A GLU 36 OE2
+12 1 Y 1 B GLU 47 ? CG ? A GLU 47 CG
+13 1 Y 1 B GLU 47 ? CD ? A GLU 47 CD
+14 1 Y 1 B GLU 47 ? OE1 ? A GLU 47 OE1
+15 1 Y 1 B GLU 47 ? OE2 ? A GLU 47 OE2
+16 1 Y 1 B LYS 48 ? CG ? A LYS 48 CG
+17 1 Y 1 B LYS 48 ? CD ? A LYS 48 CD
+18 1 Y 1 B LYS 48 ? CE ? A LYS 48 CE
+19 1 Y 1 B LYS 48 ? NZ ? A LYS 48 NZ
+20 1 Y 1 B ASP 53 ? CG ? A ASP 53 CG
+21 1 Y 1 B ASP 53 ? OD1 ? A ASP 53 OD1
+22 1 Y 1 B ASP 53 ? OD2 ? A ASP 53 OD2
+23 1 Y 1 B LYS 75 ? CG ? A LYS 75 CG
+24 1 Y 1 B LYS 75 ? CD ? A LYS 75 CD
+25 1 Y 1 B LYS 75 ? CE ? A LYS 75 CE
+26 1 Y 1 B LYS 75 ? NZ ? A LYS 75 NZ
+27 1 Y 1 T GLU 6 ? CG ? B GLU 6 CG
+28 1 Y 1 T GLU 6 ? CD ? B GLU 6 CD
+29 1 Y 1 T GLU 6 ? OE1 ? B GLU 6 OE1
+30 1 Y 1 T GLU 6 ? OE2 ? B GLU 6 OE2
+31 1 Y 1 T ARG 28 ? CG ? B ARG 28 CG
+32 1 Y 1 T ARG 28 ? CD ? B ARG 28 CD
+33 1 Y 1 T ARG 28 ? NE ? B ARG 28 NE
+34 1 Y 1 T ARG 28 ? CZ ? B ARG 28 CZ
+35 1 Y 1 T ARG 28 ? NH1 ? B ARG 28 NH1
+36 1 Y 1 T ARG 28 ? NH2 ? B ARG 28 NH2
+37 1 Y 1 T GLU 33 ? CG ? B GLU 33 CG
+38 1 Y 1 T GLU 33 ? CD ? B GLU 33 CD
+39 1 Y 1 T GLU 33 ? OE1 ? B GLU 33 OE1
+40 1 Y 1 T GLU 33 ? OE2 ? B GLU 33 OE2
+41 1 Y 1 T LEU 44 ? CG ? B LEU 44 CG
+42 1 Y 1 T LEU 44 ? CD1 ? B LEU 44 CD1
+43 1 Y 1 T LEU 44 ? CD2 ? B LEU 44 CD2
+44 1 Y 1 T ARG 64 ? CG ? B ARG 64 CG
+45 1 Y 1 T ARG 64 ? CD ? B ARG 64 CD
+46 1 Y 1 T ARG 64 ? NE ? B ARG 64 NE
+47 1 Y 1 T ARG 64 ? CZ ? B ARG 64 CZ
+48 1 Y 1 T ARG 64 ? NH1 ? B ARG 64 NH1
+49 1 Y 1 T ARG 64 ? NH2 ? B ARG 64 NH2
+50 1 Y 1 T GLU 124 ? CG ? B GLU 124 CG
+51 1 Y 1 T GLU 124 ? CD ? B GLU 124 CD
+52 1 Y 1 T GLU 124 ? OE1 ? B GLU 124 OE1
+53 1 Y 1 T GLU 124 ? OE2 ? B GLU 124 OE2
+54 1 Y 1 T GLN 126 ? CG ? B GLN 126 CG
+55 1 Y 1 T GLN 126 ? CD ? B GLN 126 CD
+56 1 Y 1 T GLN 126 ? OE1 ? B GLN 126 OE1
+57 1 Y 1 T GLN 126 ? NE2 ? B GLN 126 NE2
+58 1 Y 1 T GLN 127 ? CG ? B GLN 127 CG
+59 1 Y 1 T GLN 127 ? CD ? B GLN 127 CD
+60 1 Y 1 T GLN 127 ? OE1 ? B GLN 127 OE1
+61 1 Y 1 T GLN 127 ? NE2 ? B GLN 127 NE2
+62 1 Y 1 T GLU 128 ? CG ? B GLU 128 CG
+63 1 Y 1 T GLU 128 ? CD ? B GLU 128 CD
+64 1 Y 1 T GLU 128 ? OE1 ? B GLU 128 OE1
+65 1 Y 1 T GLU 128 ? OE2 ? B GLU 128 OE2
+66 1 Y 1 T SER 169 ? OG ? B SER 169 OG
+67 1 Y 1 T GLU 170 ? CG ? B GLU 170 CG
+68 1 Y 1 T GLU 170 ? CD ? B GLU 170 CD
+69 1 Y 1 T GLU 170 ? OE1 ? B GLU 170 OE1
+70 1 Y 1 T GLU 170 ? OE2 ? B GLU 170 OE2
+71 1 Y 1 T SER 173 ? OG ? B SER 173 OG
+72 1 Y 1 T SER 174 ? OG ? B SER 174 OG
+73 1 Y 1 T LEU 175 ? CG ? B LEU 175 CG
+74 1 Y 1 T LEU 175 ? CD1 ? B LEU 175 CD1
+75 1 Y 1 T LEU 175 ? CD2 ? B LEU 175 CD2
+76 1 Y 1 T GLU 292 ? CG ? B GLU 292 CG
+77 1 Y 1 T GLU 292 ? CD ? B GLU 292 CD
+78 1 Y 1 T GLU 292 ? OE1 ? B GLU 292 OE1
+79 1 Y 1 T GLU 292 ? OE2 ? B GLU 292 OE2
+80 1 Y 1 T LEU 312 ? CG ? B LEU 312 CG
+81 1 Y 1 T LEU 312 ? CD1 ? B LEU 312 CD1
+82 1 Y 1 T LEU 312 ? CD2 ? B LEU 312 CD2
+83 1 Y 1 T ARG 313 ? CG ? B ARG 313 CG
+84 1 Y 1 T ARG 313 ? CD ? B ARG 313 CD
+85 1 Y 1 T ARG 313 ? NE ? B ARG 313 NE
+86 1 Y 1 T ARG 313 ? CZ ? B ARG 313 CZ
+87 1 Y 1 T ARG 313 ? NH1 ? B ARG 313 NH1
+88 1 Y 1 T ARG 313 ? NH2 ? B ARG 313 NH2
+89 1 Y 1 T GLN 321 ? CG ? B GLN 321 CG
+90 1 Y 1 T GLN 321 ? CD ? B GLN 321 CD
+91 1 Y 1 T GLN 321 ? OE1 ? B GLN 321 OE1
+92 1 Y 1 T GLN 321 ? NE2 ? B GLN 321 NE2
+93 1 Y 1 T LYS 322 ? CG ? B LYS 322 CG
+94 1 Y 1 T LYS 322 ? CD ? B LYS 322 CD
+95 1 Y 1 T LYS 322 ? CE ? B LYS 322 CE
+96 1 Y 1 T LYS 322 ? NZ ? B LYS 322 NZ
+97 1 Y 1 T GLU 324 ? CG ? B GLU 324 CG
+98 1 Y 1 T GLU 324 ? CD ? B GLU 324 CD
+99 1 Y 1 T GLU 324 ? OE1 ? B GLU 324 OE1
+100 1 Y 1 T GLU 324 ? OE2 ? B GLU 324 OE2
+101 1 Y 1 T ARG 359 ? CG ? B ARG 359 CG
+102 1 Y 1 T ARG 359 ? CD ? B ARG 359 CD
+103 1 Y 1 T ARG 359 ? NE ? B ARG 359 NE
+104 1 Y 1 T ARG 359 ? CZ ? B ARG 359 CZ
+105 1 Y 1 T ARG 359 ? NH1 ? B ARG 359 NH1
+106 1 Y 1 T ARG 359 ? NH2 ? B ARG 359 NH2
+107 1 Y 1 T ARG 363 ? CG ? B ARG 363 CG
+108 1 Y 1 T ARG 363 ? CD ? B ARG 363 CD
+109 1 Y 1 T ARG 363 ? NE ? B ARG 363 NE
+110 1 Y 1 T ARG 363 ? CZ ? B ARG 363 CZ
+111 1 Y 1 T ARG 363 ? NH1 ? B ARG 363 NH1
+112 1 Y 1 T ARG 363 ? NH2 ? B ARG 363 NH2
+113 1 Y 1 T GLU 377 ? CG ? B GLU 377 CG
+114 1 Y 1 T GLU 377 ? CD ? B GLU 377 CD
+115 1 Y 1 T GLU 377 ? OE1 ? B GLU 377 OE1
+116 1 Y 1 T GLU 377 ? OE2 ? B GLU 377 OE2
+117 1 Y 1 T VAL 378 ? CG1 ? B VAL 378 CG1
+118 1 Y 1 T VAL 378 ? CG2 ? B VAL 378 CG2
+119 1 Y 1 T THR 379 ? OG1 ? B THR 379 OG1
+120 1 Y 1 T THR 379 ? CG2 ? B THR 379 CG2
+121 1 Y 1 E ASP 2 ? CG ? C ASP 2 CG
+122 1 Y 1 E ASP 2 ? OD1 ? C ASP 2 OD1
+123 1 Y 1 E ASP 2 ? OD2 ? C ASP 2 OD2
+124 1 Y 1 E ASP 9 ? CG ? C ASP 9 CG
+125 1 Y 1 E ASP 9 ? OD1 ? C ASP 9 OD1
+126 1 Y 1 E ASP 9 ? OD2 ? C ASP 9 OD2
+127 1 Y 1 E GLU 12 ? CG ? C GLU 12 CG
+128 1 Y 1 E GLU 12 ? CD ? C GLU 12 CD
+129 1 Y 1 E GLU 12 ? OE1 ? C GLU 12 OE1
+130 1 Y 1 E GLU 12 ? OE2 ? C GLU 12 OE2
+131 1 Y 1 E SER 13 ? OG ? C SER 13 OG
+132 1 Y 1 E ILE 15 ? CG1 ? C ILE 15 CG1
+133 1 Y 1 E ILE 15 ? CG2 ? C ILE 15 CG2
+134 1 Y 1 E ILE 15 ? CD1 ? C ILE 15 CD1
+135 1 Y 1 E SER 16 ? OG ? C SER 16 OG
+136 1 Y 1 E LYS 37 ? CG ? C LYS 37 CG
+137 1 Y 1 E LYS 37 ? CD ? C LYS 37 CD
+138 1 Y 1 E LYS 37 ? CE ? C LYS 37 CE
+139 1 Y 1 E LYS 37 ? NZ ? C LYS 37 NZ
+140 1 Y 1 E GLU 42 ? CG ? C GLU 42 CG
+141 1 Y 1 E GLU 42 ? CD ? C GLU 42 CD
+142 1 Y 1 E GLU 42 ? OE1 ? C GLU 42 OE1
+143 1 Y 1 E GLU 42 ? OE2 ? C GLU 42 OE2
+144 1 Y 1 E LEU 50 ? CG ? C LEU 50 CG
+145 1 Y 1 E LEU 50 ? CD1 ? C LEU 50 CD1
+146 1 Y 1 E LEU 50 ? CD2 ? C LEU 50 CD2
+147 1 Y 1 E ILE 53 ? CG1 ? C ILE 53 CG1
+148 1 Y 1 E ILE 53 ? CG2 ? C ILE 53 CG2
+149 1 Y 1 E ILE 53 ? CD1 ? C ILE 53 CD1
+150 1 Y 1 E ASN 66 ? CG ? C ASN 66 CG
+151 1 Y 1 E ASN 66 ? OD1 ? C ASN 66 OD1
+152 1 Y 1 E ASN 66 ? ND2 ? C ASN 66 ND2
+153 1 Y 1 E LYS 70 ? CG ? C LYS 70 CG
+154 1 Y 1 E LYS 70 ? CD ? C LYS 70 CD
+155 1 Y 1 E LYS 70 ? CE ? C LYS 70 CE
+156 1 Y 1 E LYS 70 ? NZ ? C LYS 70 NZ
+157 1 Y 1 E TYR 71 ? CG ? C TYR 71 CG
+158 1 Y 1 E TYR 71 ? CD1 ? C TYR 71 CD1
+159 1 Y 1 E TYR 71 ? CD2 ? C TYR 71 CD2
+160 1 Y 1 E TYR 71 ? CE1 ? C TYR 71 CE1
+161 1 Y 1 E TYR 71 ? CE2 ? C TYR 71 CE2
+162 1 Y 1 E TYR 71 ? CZ ? C TYR 71 CZ
+163 1 Y 1 E TYR 71 ? OH ? C TYR 71 OH
+164 1 Y 1 E VAL 73 ? CG1 ? C VAL 73 CG1
+165 1 Y 1 E VAL 73 ? CG2 ? C VAL 73 CG2
+166 1 Y 1 E ARG 83 ? CG ? C ARG 83 CG
+167 1 Y 1 E ARG 83 ? CD ? C ARG 83 CD
+168 1 Y 1 E ARG 83 ? NE ? C ARG 83 NE
+169 1 Y 1 E ARG 83 ? CZ ? C ARG 83 CZ
+170 1 Y 1 E ARG 83 ? NH1 ? C ARG 83 NH1
+171 1 Y 1 E ARG 83 ? NH2 ? C ARG 83 NH2
+172 1 Y 1 E ASP 84 ? CG ? C ASP 84 CG
+173 1 Y 1 E ASP 84 ? OD1 ? C ASP 84 OD1
+174 1 Y 1 E ASP 84 ? OD2 ? C ASP 84 OD2
+175 1 Y 1 E GLU 86 ? CG ? C GLU 86 CG
+176 1 Y 1 E GLU 86 ? CD ? C GLU 86 CD
+177 1 Y 1 E GLU 86 ? OE1 ? C GLU 86 OE1
+178 1 Y 1 E GLU 86 ? OE2 ? C GLU 86 OE2
+179 1 Y 1 E ASP 92 ? CG ? C ASP 92 CG
+180 1 Y 1 E ASP 92 ? OD1 ? C ASP 92 OD1
+181 1 Y 1 E ASP 92 ? OD2 ? C ASP 92 OD2
+182 1 Y 1 E ASP 98 ? CG ? C ASP 98 CG
+183 1 Y 1 E ASP 98 ? OD1 ? C ASP 98 OD1
+184 1 Y 1 E ASP 98 ? OD2 ? C ASP 98 OD2
+185 1 Y 1 E LEU 104 ? CG ? C LEU 104 CG
+186 1 Y 1 E LEU 104 ? CD1 ? C LEU 104 CD1
+187 1 Y 1 E LEU 104 ? CD2 ? C LEU 104 CD2
+188 1 Y 1 E LYS 106 ? CG ? C LYS 106 CG
+189 1 Y 1 E LYS 106 ? CD ? C LYS 106 CD
+190 1 Y 1 E LYS 106 ? CE ? C LYS 106 CE
+191 1 Y 1 E LYS 106 ? NZ ? C LYS 106 NZ
+192 1 Y 1 E SER 112 ? OG ? C SER 112 OG
+193 1 Y 1 E LEU 115 ? CG ? C LEU 115 CG
+194 1 Y 1 E LEU 115 ? CD1 ? C LEU 115 CD1
+195 1 Y 1 E LEU 115 ? CD2 ? C LEU 115 CD2
+196 1 Y 1 E ARG 116 ? CG ? C ARG 116 CG
+197 1 Y 1 E ARG 116 ? CD ? C ARG 116 CD
+198 1 Y 1 E ARG 116 ? NE ? C ARG 116 NE
+199 1 Y 1 E ARG 116 ? CZ ? C ARG 116 CZ
+200 1 Y 1 E ARG 116 ? NH1 ? C ARG 116 NH1
+201 1 Y 1 E ARG 116 ? NH2 ? C ARG 116 NH2
+202 1 Y 1 E GLU 118 ? CG ? C GLU 118 CG
+203 1 Y 1 E GLU 118 ? CD ? C GLU 118 CD
+204 1 Y 1 E GLU 118 ? OE1 ? C GLU 118 OE1
+205 1 Y 1 E GLU 118 ? OE2 ? C GLU 118 OE2
+206 1 Y 1 E GLU 119 ? CG ? C GLU 119 CG
+207 1 Y 1 E GLU 119 ? CD ? C GLU 119 CD
+208 1 Y 1 E GLU 119 ? OE1 ? C GLU 119 OE1
+209 1 Y 1 E GLU 119 ? OE2 ? C GLU 119 OE2
+210 1 Y 1 E GLU 120 ? CG ? C GLU 120 CG
+211 1 Y 1 E GLU 120 ? CD ? C GLU 120 CD
+212 1 Y 1 E GLU 120 ? OE1 ? C GLU 120 OE1
+213 1 Y 1 E GLU 120 ? OE2 ? C GLU 120 OE2
+214 1 Y 1 E LYS 128 ? CG ? C LYS 128 CG
+215 1 Y 1 E LYS 128 ? CD ? C LYS 128 CD
+216 1 Y 1 E LYS 128 ? CE ? C LYS 128 CE
+217 1 Y 1 E LYS 128 ? NZ ? C LYS 128 NZ
+218 1 Y 1 E ASP 137 ? CG ? C ASP 137 CG
+219 1 Y 1 E ASP 137 ? OD1 ? C ASP 137 OD1
+220 1 Y 1 E ASP 137 ? OD2 ? C ASP 137 OD2
+221 1 Y 1 E ASP 138 ? CG ? C ASP 138 CG
+222 1 Y 1 E ASP 138 ? OD1 ? C ASP 138 OD1
+223 1 Y 1 E ASP 138 ? OD2 ? C ASP 138 OD2
+224 1 Y 1 E SER 139 ? OG ? C SER 139 OG
+225 1 Y 1 E PHE 140 ? CG ? C PHE 140 CG
+226 1 Y 1 E PHE 140 ? CD1 ? C PHE 140 CD1
+227 1 Y 1 E PHE 140 ? CD2 ? C PHE 140 CD2
+228 1 Y 1 E PHE 140 ? CE1 ? C PHE 140 CE1
+229 1 Y 1 E PHE 140 ? CE2 ? C PHE 140 CE2
+230 1 Y 1 E PHE 140 ? CZ ? C PHE 140 CZ
+231 1 Y 1 E SER 141 ? OG ? C SER 141 OG
+232 1 Y 1 E GLU 142 ? CG ? C GLU 142 CG
+233 1 Y 1 E GLU 142 ? CD ? C GLU 142 CD
+234 1 Y 1 E GLU 142 ? OE1 ? C GLU 142 OE1
+235 1 Y 1 E GLU 142 ? OE2 ? C GLU 142 OE2
+236 1 Y 1 E GLU 146 ? CG ? C GLU 146 CG
+237 1 Y 1 E GLU 146 ? CD ? C GLU 146 CD
+238 1 Y 1 E GLU 146 ? OE1 ? C GLU 146 OE1
+239 1 Y 1 E GLU 146 ? OE2 ? C GLU 146 OE2
+240 1 Y 1 E LEU 148 ? CG ? C LEU 148 CG
+241 1 Y 1 E LEU 148 ? CD1 ? C LEU 148 CD1
+242 1 Y 1 E LEU 148 ? CD2 ? C LEU 148 CD2
+243 1 Y 1 E LEU 154 ? CG ? C LEU 154 CG
+244 1 Y 1 E LEU 154 ? CD1 ? C LEU 154 CD1
+245 1 Y 1 E LEU 154 ? CD2 ? C LEU 154 CD2
+246 1 Y 1 E ASP 156 ? CG ? C ASP 156 CG
+247 1 Y 1 E ASP 156 ? OD1 ? C ASP 156 OD1
+248 1 Y 1 E ASP 156 ? OD2 ? C ASP 156 OD2
+249 1 Y 1 E GLU 166 ? CG ? C GLU 166 CG
+250 1 Y 1 E GLU 166 ? CD ? C GLU 166 CD
+251 1 Y 1 E GLU 166 ? OE1 ? C GLU 166 OE1
+252 1 Y 1 E GLU 166 ? OE2 ? C GLU 166 OE2
+253 1 Y 1 E LEU 168 ? CG ? C LEU 168 CG
+254 1 Y 1 E LEU 168 ? CD1 ? C LEU 168 CD1
+255 1 Y 1 E LEU 168 ? CD2 ? C LEU 168 CD2
+256 1 Y 1 E ASN 170 ? CG ? C ASN 170 CG
+257 1 Y 1 E ASN 170 ? OD1 ? C ASN 170 OD1
+258 1 Y 1 E ASN 170 ? ND2 ? C ASN 170 ND2
+259 1 Y 1 E GLU 171 ? CG ? C GLU 171 CG
+260 1 Y 1 E GLU 171 ? CD ? C GLU 171 CD
+261 1 Y 1 E GLU 171 ? OE1 ? C GLU 171 OE1
+262 1 Y 1 E GLU 171 ? OE2 ? C GLU 171 OE2
+263 1 Y 1 E ASP 174 ? CG ? C ASP 174 CG
+264 1 Y 1 E ASP 174 ? OD1 ? C ASP 174 OD1
+265 1 Y 1 E ASP 174 ? OD2 ? C ASP 174 OD2
+266 1 Y 1 E ASN 175 ? CG ? C ASN 175 CG
+267 1 Y 1 E ASN 175 ? OD1 ? C ASN 175 OD1
+268 1 Y 1 E ASN 175 ? ND2 ? C ASN 175 ND2
+269 1 Y 1 E GLU 177 ? CG ? C GLU 177 CG
+270 1 Y 1 E GLU 177 ? CD ? C GLU 177 CD
+271 1 Y 1 E GLU 177 ? OE1 ? C GLU 177 OE1
+272 1 Y 1 E GLU 177 ? OE2 ? C GLU 177 OE2
+273 1 Y 1 E ASP 193 ? CG ? C ASP 193 CG
+274 1 Y 1 E ASP 193 ? OD1 ? C ASP 193 OD1
+275 1 Y 1 E ASP 193 ? OD2 ? C ASP 193 OD2
+276 1 Y 1 E GLU 200 ? CG ? C GLU 200 CG
+277 1 Y 1 E GLU 200 ? CD ? C GLU 200 CD
+278 1 Y 1 E GLU 200 ? OE1 ? C GLU 200 OE1
+279 1 Y 1 E GLU 200 ? OE2 ? C GLU 200 OE2
+280 1 Y 1 E GLN 201 ? CG ? C GLN 201 CG
+281 1 Y 1 E GLN 201 ? CD ? C GLN 201 CD
+282 1 Y 1 E GLN 201 ? OE1 ? C GLN 201 OE1
+283 1 Y 1 E GLN 201 ? NE2 ? C GLN 201 NE2
+284 1 Y 1 E LYS 202 ? CG ? C LYS 202 CG
+285 1 Y 1 E LYS 202 ? CD ? C LYS 202 CD
+286 1 Y 1 E LYS 202 ? CE ? C LYS 202 CE
+287 1 Y 1 E LYS 202 ? NZ ? C LYS 202 NZ
+288 1 Y 1 E MET 203 ? CG ? C MET 203 CG
+289 1 Y 1 E MET 203 ? SD ? C MET 203 SD
+290 1 Y 1 E MET 203 ? CE ? C MET 203 CE
+291 1 Y 1 E SER 205 ? OG ? C SER 205 OG
+292 1 Y 1 E LYS 207 ? CG ? C LYS 207 CG
+293 1 Y 1 E LYS 207 ? CD ? C LYS 207 CD
+294 1 Y 1 E LYS 207 ? CE ? C LYS 207 CE
+295 1 Y 1 E LYS 207 ? NZ ? C LYS 207 NZ
+296 1 Y 1 E ILE 208 ? CG1 ? C ILE 208 CG1
+297 1 Y 1 E ILE 208 ? CG2 ? C ILE 208 CG2
+298 1 Y 1 E ILE 208 ? CD1 ? C ILE 208 CD1
+299 1 Y 1 E LYS 210 ? CG ? C LYS 210 CG
+300 1 Y 1 E LYS 210 ? CD ? C LYS 210 CD
+301 1 Y 1 E LYS 210 ? CE ? C LYS 210 CE
+302 1 Y 1 E LYS 210 ? NZ ? C LYS 210 NZ
+303 1 Y 1 E THR 224 ? OG1 ? C THR 224 OG1
+304 1 Y 1 E THR 224 ? CG2 ? C THR 224 CG2
+305 1 Y 1 E ASP 235 ? CG ? C ASP 235 CG
+306 1 Y 1 E ASP 235 ? OD1 ? C ASP 235 OD1
+307 1 Y 1 E ASP 235 ? OD2 ? C ASP 235 OD2
+308 1 Y 1 E ASP 242 ? CG ? C ASP 242 CG
+309 1 Y 1 E ASP 242 ? OD1 ? C ASP 242 OD1
+310 1 Y 1 E ASP 242 ? OD2 ? C ASP 242 OD2
+311 1 Y 1 E GLU 246 ? CG ? C GLU 246 CG
+312 1 Y 1 E GLU 246 ? CD ? C GLU 246 CD
+313 1 Y 1 E GLU 246 ? OE1 ? C GLU 246 OE1
+314 1 Y 1 E GLU 246 ? OE2 ? C GLU 246 OE2
+315 1 Y 1 E LYS 247 ? CG ? C LYS 247 CG
+316 1 Y 1 E LYS 247 ? CD ? C LYS 247 CD
+317 1 Y 1 E LYS 247 ? CE ? C LYS 247 CE
+318 1 Y 1 E LYS 247 ? NZ ? C LYS 247 NZ
+319 1 Y 1 E LYS 250 ? CG ? C LYS 250 CG
+320 1 Y 1 E LYS 250 ? CD ? C LYS 250 CD
+321 1 Y 1 E LYS 250 ? CE ? C LYS 250 CE
+322 1 Y 1 E LYS 250 ? NZ ? C LYS 250 NZ
+323 1 Y 1 E SER 252 ? OG ? C SER 252 OG
+324 1 Y 1 E LYS 264 ? CG ? C LYS 264 CG
+325 1 Y 1 E LYS 264 ? CD ? C LYS 264 CD
+326 1 Y 1 E LYS 264 ? CE ? C LYS 264 CE
+327 1 Y 1 E LYS 264 ? NZ ? C LYS 264 NZ
+328 1 Y 1 E LEU 267 ? CG ? C LEU 267 CG
+329 1 Y 1 E LEU 267 ? CD1 ? C LEU 267 CD1
+330 1 Y 1 E LEU 267 ? CD2 ? C LEU 267 CD2
+331 1 Y 1 E ASP 268 ? CG ? C ASP 268 CG
+332 1 Y 1 E ASP 268 ? OD1 ? C ASP 268 OD1
+333 1 Y 1 E ASP 268 ? OD2 ? C ASP 268 OD2
+334 1 Y 1 E LYS 272 ? CG ? C LYS 272 CG
+335 1 Y 1 E LYS 272 ? CD ? C LYS 272 CD
+336 1 Y 1 E LYS 272 ? CE ? C LYS 272 CE
+337 1 Y 1 E LYS 272 ? NZ ? C LYS 272 NZ
+338 1 Y 1 E LYS 281 ? CG ? C LYS 281 CG
+339 1 Y 1 E LYS 281 ? CD ? C LYS 281 CD
+340 1 Y 1 E LYS 281 ? CE ? C LYS 281 CE
+341 1 Y 1 E LYS 281 ? NZ ? C LYS 281 NZ
+342 1 Y 1 E GLU 293 ? CG ? C GLU 293 CG
+343 1 Y 1 E GLU 293 ? CD ? C GLU 293 CD
+344 1 Y 1 E GLU 293 ? OE1 ? C GLU 293 OE1
+345 1 Y 1 E GLU 293 ? OE2 ? C GLU 293 OE2
+346 1 Y 1 E SER 294 ? OG ? C SER 294 OG
+347 1 Y 1 E THR 295 ? OG1 ? C THR 295 OG1
+348 1 Y 1 E THR 295 ? CG2 ? C THR 295 CG2
+349 1 Y 1 E GLU 298 ? CG ? C GLU 298 CG
+350 1 Y 1 E GLU 298 ? CD ? C GLU 298 CD
+351 1 Y 1 E GLU 298 ? OE1 ? C GLU 298 OE1
+352 1 Y 1 E GLU 298 ? OE2 ? C GLU 298 OE2
+353 1 Y 1 E GLU 317 ? CG ? C GLU 317 CG
+354 1 Y 1 E GLU 317 ? CD ? C GLU 317 CD
+355 1 Y 1 E GLU 317 ? OE1 ? C GLU 317 OE1
+356 1 Y 1 E GLU 317 ? OE2 ? C GLU 317 OE2
+357 1 Y 1 E LYS 323 ? CG ? C LYS 323 CG
+358 1 Y 1 E LYS 323 ? CD ? C LYS 323 CD
+359 1 Y 1 E LYS 323 ? CE ? C LYS 323 CE
+360 1 Y 1 E LYS 323 ? NZ ? C LYS 323 NZ
+361 1 Y 1 E LEU 325 ? CG ? C LEU 325 CG
+362 1 Y 1 E LEU 325 ? CD1 ? C LEU 325 CD1
+363 1 Y 1 E LEU 325 ? CD2 ? C LEU 325 CD2
+364 1 Y 1 E LEU 329 ? CG ? C LEU 329 CG
+365 1 Y 1 E LEU 329 ? CD1 ? C LEU 329 CD1
+366 1 Y 1 E LEU 329 ? CD2 ? C LEU 329 CD2
+367 1 Y 1 E ASP 334 ? CG ? C ASP 334 CG
+368 1 Y 1 E ASP 334 ? OD1 ? C ASP 334 OD1
+369 1 Y 1 E ASP 334 ? OD2 ? C ASP 334 OD2
+370 1 Y 1 E GLU 348 ? CG ? C GLU 348 CG
+371 1 Y 1 E GLU 348 ? CD ? C GLU 348 CD
+372 1 Y 1 E GLU 348 ? OE1 ? C GLU 348 OE1
+373 1 Y 1 E GLU 348 ? OE2 ? C GLU 348 OE2
+374 1 Y 1 E ASP 402 ? CG ? C ASP 402 CG
+375 1 Y 1 E ASP 402 ? OD1 ? C ASP 402 OD1
+376 1 Y 1 E ASP 402 ? OD2 ? C ASP 402 OD2
+377 1 Y 1 E SER 419 ? OG ? C SER 419 OG
+378 1 Y 1 E GLU 422 ? CG ? C GLU 422 CG
+379 1 Y 1 E GLU 422 ? CD ? C GLU 422 CD
+380 1 Y 1 E GLU 422 ? OE1 ? C GLU 422 OE1
+381 1 Y 1 E GLU 422 ? OE2 ? C GLU 422 OE2
+382 1 Y 1 E ASN 435 ? CG ? C ASN 435 CG
+383 1 Y 1 E ASN 435 ? OD1 ? C ASN 435 OD1
+384 1 Y 1 E ASN 435 ? ND2 ? C ASN 435 ND2
+385 1 Y 1 E LYS 437 ? CG ? C LYS 437 CG
+386 1 Y 1 E LYS 437 ? CD ? C LYS 437 CD
+387 1 Y 1 E LYS 437 ? CE ? C LYS 437 CE
+388 1 Y 1 E LYS 437 ? NZ ? C LYS 437 NZ
+389 1 Y 1 E LEU 438 ? CG ? C LEU 438 CG
+390 1 Y 1 E LEU 438 ? CD1 ? C LEU 438 CD1
+391 1 Y 1 E LEU 438 ? CD2 ? C LEU 438 CD2
+392 1 Y 1 E ASN 439 ? CG ? C ASN 439 CG
+393 1 Y 1 E ASN 439 ? OD1 ? C ASN 439 OD1
+394 1 Y 1 E ASN 439 ? ND2 ? C ASN 439 ND2
+395 1 Y 1 E LYS 441 ? CG ? C LYS 441 CG
+396 1 Y 1 E LYS 441 ? CD ? C LYS 441 CD
+397 1 Y 1 E LYS 441 ? CE ? C LYS 441 CE
+398 1 Y 1 E LYS 441 ? NZ ? C LYS 441 NZ
+399 1 Y 1 E GLU 444 ? CG ? C GLU 444 CG
+400 1 Y 1 E GLU 444 ? CD ? C GLU 444 CD
+401 1 Y 1 E GLU 444 ? OE1 ? C GLU 444 OE1
+402 1 Y 1 E GLU 444 ? OE2 ? C GLU 444 OE2
+403 1 Y 1 E GLN 457 ? CG ? C GLN 457 CG
+404 1 Y 1 E GLN 457 ? CD ? C GLN 457 CD
+405 1 Y 1 E GLN 457 ? OE1 ? C GLN 457 OE1
+406 1 Y 1 E GLN 457 ? NE2 ? C GLN 457 NE2
+407 1 Y 1 E THR 461 ? OG1 ? C THR 461 OG1
+408 1 Y 1 E THR 461 ? CG2 ? C THR 461 CG2
+409 1 Y 1 E ASN 462 ? CG ? C ASN 462 CG
+410 1 Y 1 E ASN 462 ? OD1 ? C ASN 462 OD1
+411 1 Y 1 E ASN 462 ? ND2 ? C ASN 462 ND2
+412 1 Y 1 E VAL 465 ? CG1 ? C VAL 465 CG1
+413 1 Y 1 E VAL 465 ? CG2 ? C VAL 465 CG2
+414 1 Y 1 M SER 4 ? OG ? D SER 4 OG
+415 1 Y 1 M ARG 17 ? CG ? D ARG 17 CG
+416 1 Y 1 M ARG 17 ? CD ? D ARG 17 CD
+417 1 Y 1 M ARG 17 ? NE ? D ARG 17 NE
+418 1 Y 1 M ARG 17 ? CZ ? D ARG 17 CZ
+419 1 Y 1 M ARG 17 ? NH1 ? D ARG 17 NH1
+420 1 Y 1 M ARG 17 ? NH2 ? D ARG 17 NH2
+421 1 Y 1 M GLU 19 ? CG ? D GLU 19 CG
+422 1 Y 1 M GLU 19 ? CD ? D GLU 19 CD
+423 1 Y 1 M GLU 19 ? OE1 ? D GLU 19 OE1
+424 1 Y 1 M GLU 19 ? OE2 ? D GLU 19 OE2
+425 1 Y 1 M ASP 30 ? CG ? D ASP 30 CG
+426 1 Y 1 M ASP 30 ? OD1 ? D ASP 30 OD1
+427 1 Y 1 M ASP 30 ? OD2 ? D ASP 30 OD2
+428 1 Y 1 M SER 42 ? OG ? D SER 42 OG
+429 1 Y 1 M ARG 44 ? CG ? D ARG 44 CG
+430 1 Y 1 M ARG 44 ? CD ? D ARG 44 CD
+431 1 Y 1 M ARG 44 ? NE ? D ARG 44 NE
+432 1 Y 1 M ARG 44 ? CZ ? D ARG 44 CZ
+433 1 Y 1 M ARG 44 ? NH1 ? D ARG 44 NH1
+434 1 Y 1 M ARG 44 ? NH2 ? D ARG 44 NH2
+435 1 Y 1 M GLU 53 ? CG ? D GLU 53 CG
+436 1 Y 1 M GLU 53 ? CD ? D GLU 53 CD
+437 1 Y 1 M GLU 53 ? OE1 ? D GLU 53 OE1
+438 1 Y 1 M GLU 53 ? OE2 ? D GLU 53 OE2
+439 1 Y 1 M GLU 58 ? CG ? D GLU 58 CG
+440 1 Y 1 M GLU 58 ? CD ? D GLU 58 CD
+441 1 Y 1 M GLU 58 ? OE1 ? D GLU 58 OE1
+442 1 Y 1 M GLU 58 ? OE2 ? D GLU 58 OE2
+443 1 Y 1 M ASP 74 ? CG ? D ASP 74 CG
+444 1 Y 1 M ASP 74 ? OD1 ? D ASP 74 OD1
+445 1 Y 1 M ASP 74 ? OD2 ? D ASP 74 OD2
+446 1 Y 1 M ARG 82 ? CG ? D ARG 82 CG
+447 1 Y 1 M ARG 82 ? CD ? D ARG 82 CD
+448 1 Y 1 M ARG 82 ? NE ? D ARG 82 NE
+449 1 Y 1 M ARG 82 ? CZ ? D ARG 82 CZ
+450 1 Y 1 M ARG 82 ? NH1 ? D ARG 82 NH1
+451 1 Y 1 M ARG 82 ? NH2 ? D ARG 82 NH2
+452 1 Y 1 M ASP 106 ? CG ? D ASP 106 CG
+453 1 Y 1 M ASP 106 ? OD1 ? D ASP 106 OD1
+454 1 Y 1 M ASP 106 ? OD2 ? D ASP 106 OD2
+455 1 Y 1 M ARG 108 ? CG ? D ARG 108 CG
+456 1 Y 1 M ARG 108 ? CD ? D ARG 108 CD
+457 1 Y 1 M ARG 108 ? NE ? D ARG 108 NE
+458 1 Y 1 M ARG 108 ? CZ ? D ARG 108 CZ
+459 1 Y 1 M ARG 108 ? NH1 ? D ARG 108 NH1
+460 1 Y 1 M ARG 108 ? NH2 ? D ARG 108 NH2
+461 1 Y 1 M GLU 154 ? CG ? D GLU 154 CG
+462 1 Y 1 M GLU 154 ? CD ? D GLU 154 CD
+463 1 Y 1 M GLU 154 ? OE1 ? D GLU 154 OE1
+464 1 Y 1 M GLU 154 ? OE2 ? D GLU 154 OE2
+465 1 Y 1 M GLU 166 ? CG ? D GLU 166 CG
+466 1 Y 1 M GLU 166 ? CD ? D GLU 166 CD
+467 1 Y 1 M GLU 166 ? OE1 ? D GLU 166 OE1
+468 1 Y 1 M GLU 166 ? OE2 ? D GLU 166 OE2
+469 1 Y 1 M GLU 173 ? CG ? D GLU 173 CG
+470 1 Y 1 M GLU 173 ? CD ? D GLU 173 CD
+471 1 Y 1 M GLU 173 ? OE1 ? D GLU 173 OE1
+472 1 Y 1 M GLU 173 ? OE2 ? D GLU 173 OE2
+473 1 Y 1 M ASN 174 ? CG ? D ASN 174 CG
+474 1 Y 1 M ASN 174 ? OD1 ? D ASN 174 OD1
+475 1 Y 1 M ASN 174 ? ND2 ? D ASN 174 ND2
+476 1 Y 1 M LYS 176 ? CG ? D LYS 176 CG
+477 1 Y 1 M LYS 176 ? CD ? D LYS 176 CD
+478 1 Y 1 M LYS 176 ? CE ? D LYS 176 CE
+479 1 Y 1 M LYS 176 ? NZ ? D LYS 176 NZ
+480 1 Y 1 M GLU 177 ? CG ? D GLU 177 CG
+481 1 Y 1 M GLU 177 ? CD ? D GLU 177 CD
+482 1 Y 1 M GLU 177 ? OE1 ? D GLU 177 OE1
+483 1 Y 1 M GLU 177 ? OE2 ? D GLU 177 OE2
+484 1 Y 1 M SER 195 ? OG ? D SER 195 OG
+485 1 Y 1 M ASP 196 ? CG ? D ASP 196 CG
+486 1 Y 1 M ASP 196 ? OD1 ? D ASP 196 OD1
+487 1 Y 1 M ASP 196 ? OD2 ? D ASP 196 OD2
+488 1 Y 1 M HIS 197 ? CG ? D HIS 197 CG
+489 1 Y 1 M HIS 197 ? ND1 ? D HIS 197 ND1
+490 1 Y 1 M HIS 197 ? CD2 ? D HIS 197 CD2
+491 1 Y 1 M HIS 197 ? CE1 ? D HIS 197 CE1
+492 1 Y 1 M HIS 197 ? NE2 ? D HIS 197 NE2
+493 1 Y 1 M GLU 198 ? CG ? D GLU 198 CG
+494 1 Y 1 M GLU 198 ? CD ? D GLU 198 CD
+495 1 Y 1 M GLU 198 ? OE1 ? D GLU 198 OE1
+496 1 Y 1 M GLU 198 ? OE2 ? D GLU 198 OE2
+497 1 Y 1 M ARG 219 ? CG ? D ARG 219 CG
+498 1 Y 1 M ARG 219 ? CD ? D ARG 219 CD
+499 1 Y 1 M ARG 219 ? NE ? D ARG 219 NE
+500 1 Y 1 M ARG 219 ? CZ ? D ARG 219 CZ
+501 1 Y 1 M ARG 219 ? NH1 ? D ARG 219 NH1
+502 1 Y 1 M ARG 219 ? NH2 ? D ARG 219 NH2
+503 1 Y 1 M ASP 220 ? CG ? D ASP 220 CG
+504 1 Y 1 M ASP 220 ? OD1 ? D ASP 220 OD1
+505 1 Y 1 M ASP 220 ? OD2 ? D ASP 220 OD2
+506 1 Y 1 M GLU 222 ? CG ? D GLU 222 CG
+507 1 Y 1 M GLU 222 ? CD ? D GLU 222 CD
+508 1 Y 1 M GLU 222 ? OE1 ? D GLU 222 OE1
+509 1 Y 1 M GLU 222 ? OE2 ? D GLU 222 OE2
+510 1 Y 1 M ASP 223 ? CG ? D ASP 223 CG
+511 1 Y 1 M ASP 223 ? OD1 ? D ASP 223 OD1
+512 1 Y 1 M ASP 223 ? OD2 ? D ASP 223 OD2
+513 1 Y 1 M GLN 226 ? CG ? D GLN 226 CG
+514 1 Y 1 M GLN 226 ? CD ? D GLN 226 CD
+515 1 Y 1 M GLN 226 ? OE1 ? D GLN 226 OE1
+516 1 Y 1 M GLN 226 ? NE2 ? D GLN 226 NE2
+517 1 Y 1 M SER 251 ? OG ? D SER 251 OG
+518 1 Y 1 M GLU 253 ? CG ? D GLU 253 CG
+519 1 Y 1 M GLU 253 ? CD ? D GLU 253 CD
+520 1 Y 1 M GLU 253 ? OE1 ? D GLU 253 OE1
+521 1 Y 1 M GLU 253 ? OE2 ? D GLU 253 OE2
+522 1 Y 1 M ARG 256 ? CG ? D ARG 256 CG
+523 1 Y 1 M ARG 256 ? CD ? D ARG 256 CD
+524 1 Y 1 M ARG 256 ? NE ? D ARG 256 NE
+525 1 Y 1 M ARG 256 ? CZ ? D ARG 256 CZ
+526 1 Y 1 M ARG 256 ? NH1 ? D ARG 256 NH1
+527 1 Y 1 M ARG 256 ? NH2 ? D ARG 256 NH2
+528 1 Y 1 M LYS 268 ? CG ? D LYS 268 CG
+529 1 Y 1 M LYS 268 ? CD ? D LYS 268 CD
+530 1 Y 1 M LYS 268 ? CE ? D LYS 268 CE
+531 1 Y 1 M LYS 268 ? NZ ? D LYS 268 NZ
+532 1 Y 1 C LEU 11 ? CG ? E LEU 11 CG
+533 1 Y 1 C LEU 11 ? CD1 ? E LEU 11 CD1
+534 1 Y 1 C LEU 11 ? CD2 ? E LEU 11 CD2
+535 1 Y 1 C ASP 14 ? CG ? E ASP 14 CG
+536 1 Y 1 C ASP 14 ? OD1 ? E ASP 14 OD1
+537 1 Y 1 C ASP 14 ? OD2 ? E ASP 14 OD2
+538 1 Y 1 C SER 18 ? OG ? E SER 18 OG
+539 1 Y 1 C ILE 21 ? CG1 ? E ILE 21 CG1
+540 1 Y 1 C ILE 21 ? CG2 ? E ILE 21 CG2
+541 1 Y 1 C ILE 21 ? CD1 ? E ILE 21 CD1
+542 1 Y 1 C LYS 24 ? CG ? E LYS 24 CG
+543 1 Y 1 C LYS 24 ? CD ? E LYS 24 CD
+544 1 Y 1 C LYS 24 ? CE ? E LYS 24 CE
+545 1 Y 1 C LYS 24 ? NZ ? E LYS 24 NZ
+546 1 Y 1 C SER 27 ? OG ? E SER 27 OG
+547 1 Y 1 C GLU 43 ? CG ? E GLU 43 CG
+548 1 Y 1 C GLU 43 ? CD ? E GLU 43 CD
+549 1 Y 1 C GLU 43 ? OE1 ? E GLU 43 OE1
+550 1 Y 1 C GLU 43 ? OE2 ? E GLU 43 OE2
+551 1 Y 1 C GLU 44 ? CG ? E GLU 44 CG
+552 1 Y 1 C GLU 44 ? CD ? E GLU 44 CD
+553 1 Y 1 C GLU 44 ? OE1 ? E GLU 44 OE1
+554 1 Y 1 C GLU 44 ? OE2 ? E GLU 44 OE2
+555 1 Y 1 C ASP 46 ? CG ? E ASP 46 CG
+556 1 Y 1 C ASP 46 ? OD1 ? E ASP 46 OD1
+557 1 Y 1 C ASP 46 ? OD2 ? E ASP 46 OD2
+558 1 Y 1 C LEU 49 ? CG ? E LEU 49 CG
+559 1 Y 1 C LEU 49 ? CD1 ? E LEU 49 CD1
+560 1 Y 1 C LEU 49 ? CD2 ? E LEU 49 CD2
+561 1 Y 1 C SER 63 ? OG ? E SER 63 OG
+562 1 Y 1 C GLU 65 ? CG ? E GLU 65 CG
+563 1 Y 1 C GLU 65 ? CD ? E GLU 65 CD
+564 1 Y 1 C GLU 65 ? OE1 ? E GLU 65 OE1
+565 1 Y 1 C GLU 65 ? OE2 ? E GLU 65 OE2
+566 1 Y 1 C ASN 69 ? CG ? E ASN 69 CG
+567 1 Y 1 C ASN 69 ? OD1 ? E ASN 69 OD1
+568 1 Y 1 C ASN 69 ? ND2 ? E ASN 69 ND2
+569 1 Y 1 C LYS 70 ? CG ? E LYS 70 CG
+570 1 Y 1 C LYS 70 ? CD ? E LYS 70 CD
+571 1 Y 1 C LYS 70 ? CE ? E LYS 70 CE
+572 1 Y 1 C LYS 70 ? NZ ? E LYS 70 NZ
+573 1 Y 1 C GLN 77 ? CG ? E GLN 77 CG
+574 1 Y 1 C GLN 77 ? CD ? E GLN 77 CD
+575 1 Y 1 C GLN 77 ? OE1 ? E GLN 77 OE1
+576 1 Y 1 C GLN 77 ? NE2 ? E GLN 77 NE2
+577 1 Y 1 C ASN 98 ? CG ? E ASN 98 CG
+578 1 Y 1 C ASN 98 ? OD1 ? E ASN 98 OD1
+579 1 Y 1 C ASN 98 ? ND2 ? E ASN 98 ND2
+580 1 Y 1 C SER 99 ? OG ? E SER 99 OG
+581 1 Y 1 C LEU 100 ? CG ? E LEU 100 CG
+582 1 Y 1 C LEU 100 ? CD1 ? E LEU 100 CD1
+583 1 Y 1 C LEU 100 ? CD2 ? E LEU 100 CD2
+584 1 Y 1 C GLN 102 ? CG ? E GLN 102 CG
+585 1 Y 1 C GLN 102 ? CD ? E GLN 102 CD
+586 1 Y 1 C GLN 102 ? OE1 ? E GLN 102 OE1
+587 1 Y 1 C GLN 102 ? NE2 ? E GLN 102 NE2
+588 1 Y 1 C ASP 104 ? CG ? E ASP 104 CG
+589 1 Y 1 C ASP 104 ? OD1 ? E ASP 104 OD1
+590 1 Y 1 C ASP 104 ? OD2 ? E ASP 104 OD2
+591 1 Y 1 C MET 105 ? CG ? E MET 105 CG
+592 1 Y 1 C MET 105 ? SD ? E MET 105 SD
+593 1 Y 1 C MET 105 ? CE ? E MET 105 CE
+594 1 Y 1 C ASP 108 ? CG ? E ASP 108 CG
+595 1 Y 1 C ASP 108 ? OD1 ? E ASP 108 OD1
+596 1 Y 1 C ASP 108 ? OD2 ? E ASP 108 OD2
+597 1 Y 1 C GLU 110 ? CG ? E GLU 110 CG
+598 1 Y 1 C GLU 110 ? CD ? E GLU 110 CD
+599 1 Y 1 C GLU 110 ? OE1 ? E GLU 110 OE1
+600 1 Y 1 C GLU 110 ? OE2 ? E GLU 110 OE2
+601 1 Y 1 C LYS 134 ? CG ? E LYS 134 CG
+602 1 Y 1 C LYS 134 ? CD ? E LYS 134 CD
+603 1 Y 1 C LYS 134 ? CE ? E LYS 134 CE
+604 1 Y 1 C LYS 134 ? NZ ? E LYS 134 NZ
+605 1 Y 1 C LYS 136 ? CG ? E LYS 136 CG
+606 1 Y 1 C LYS 136 ? CD ? E LYS 136 CD
+607 1 Y 1 C LYS 136 ? CE ? E LYS 136 CE
+608 1 Y 1 C LYS 136 ? NZ ? E LYS 136 NZ
+609 1 Y 1 C SER 172 ? OG ? E SER 172 OG
+610 1 Y 1 C GLU 180 ? CG ? E GLU 180 CG
+611 1 Y 1 C GLU 180 ? CD ? E GLU 180 CD
+612 1 Y 1 C GLU 180 ? OE1 ? E GLU 180 OE1
+613 1 Y 1 C GLU 180 ? OE2 ? E GLU 180 OE2
+614 1 Y 1 C ASP 181 ? CG ? E ASP 181 CG
+615 1 Y 1 C ASP 181 ? OD1 ? E ASP 181 OD1
+616 1 Y 1 C ASP 181 ? OD2 ? E ASP 181 OD2
+617 1 Y 1 C ASP 184 ? CG ? E ASP 184 CG
+618 1 Y 1 C ASP 184 ? OD1 ? E ASP 184 OD1
+619 1 Y 1 C ASP 184 ? OD2 ? E ASP 184 OD2
+620 1 Y 1 C LEU 186 ? CG ? E LEU 186 CG
+621 1 Y 1 C LEU 186 ? CD1 ? E LEU 186 CD1
+622 1 Y 1 C LEU 186 ? CD2 ? E LEU 186 CD2
+623 1 Y 1 C LYS 189 ? CG ? E LYS 189 CG
+624 1 Y 1 C LYS 189 ? CD ? E LYS 189 CD
+625 1 Y 1 C LYS 189 ? CE ? E LYS 189 CE
+626 1 Y 1 C LYS 189 ? NZ ? E LYS 189 NZ
+627 1 Y 1 C LYS 190 ? CG ? E LYS 190 CG
+628 1 Y 1 C LYS 190 ? CD ? E LYS 190 CD
+629 1 Y 1 C LYS 190 ? CE ? E LYS 190 CE
+630 1 Y 1 C LYS 190 ? NZ ? E LYS 190 NZ
+631 1 Y 1 C ILE 191 ? CG1 ? E ILE 191 CG1
+632 1 Y 1 C ILE 191 ? CG2 ? E ILE 191 CG2
+633 1 Y 1 C ILE 191 ? CD1 ? E ILE 191 CD1
+634 1 Y 1 C LYS 192 ? CG ? E LYS 192 CG
+635 1 Y 1 C LYS 192 ? CD ? E LYS 192 CD
+636 1 Y 1 C LYS 192 ? CE ? E LYS 192 CE
+637 1 Y 1 C LYS 192 ? NZ ? E LYS 192 NZ
+638 1 Y 1 C ASP 193 ? CG ? E ASP 193 CG
+639 1 Y 1 C ASP 193 ? OD1 ? E ASP 193 OD1
+640 1 Y 1 C ASP 193 ? OD2 ? E ASP 193 OD2
+641 1 Y 1 C ASP 195 ? CG ? E ASP 195 CG
+642 1 Y 1 C ASP 195 ? OD1 ? E ASP 195 OD1
+643 1 Y 1 C ASP 195 ? OD2 ? E ASP 195 OD2
+644 1 Y 1 C SER 197 ? OG ? E SER 197 OG
+645 1 Y 1 C LYS 198 ? CB ? E LYS 198 CB
+646 1 Y 1 C LYS 198 ? CG ? E LYS 198 CG
+647 1 Y 1 C LYS 198 ? CD ? E LYS 198 CD
+648 1 Y 1 C LYS 198 ? CE ? E LYS 198 CE
+649 1 Y 1 C LYS 198 ? NZ ? E LYS 198 NZ
+650 1 Y 1 C GLU 200 ? CG ? E GLU 200 CG
+651 1 Y 1 C GLU 200 ? CD ? E GLU 200 CD
+652 1 Y 1 C GLU 200 ? OE1 ? E GLU 200 OE1
+653 1 Y 1 C GLU 200 ? OE2 ? E GLU 200 OE2
+654 1 Y 1 C ASP 201 ? CG ? E ASP 201 CG
+655 1 Y 1 C ASP 201 ? OD1 ? E ASP 201 OD1
+656 1 Y 1 C ASP 201 ? OD2 ? E ASP 201 OD2
+657 1 Y 1 C TRP 202 ? CG ? E TRP 202 CG
+658 1 Y 1 C TRP 202 ? CD1 ? E TRP 202 CD1
+659 1 Y 1 C TRP 202 ? CD2 ? E TRP 202 CD2
+660 1 Y 1 C TRP 202 ? NE1 ? E TRP 202 NE1
+661 1 Y 1 C TRP 202 ? CE2 ? E TRP 202 CE2
+662 1 Y 1 C TRP 202 ? CE3 ? E TRP 202 CE3
+663 1 Y 1 C TRP 202 ? CZ2 ? E TRP 202 CZ2
+664 1 Y 1 C TRP 202 ? CZ3 ? E TRP 202 CZ3
+665 1 Y 1 C TRP 202 ? CH2 ? E TRP 202 CH2
+666 1 Y 1 C ASP 203 ? CG ? E ASP 203 CG
+667 1 Y 1 C ASP 203 ? OD1 ? E ASP 203 OD1
+668 1 Y 1 C ASP 203 ? OD2 ? E ASP 203 OD2
+669 1 Y 1 C GLU 204 ? CG ? E GLU 204 CG
+670 1 Y 1 C GLU 204 ? CD ? E GLU 204 CD
+671 1 Y 1 C GLU 204 ? OE1 ? E GLU 204 OE1
+672 1 Y 1 C GLU 204 ? OE2 ? E GLU 204 OE2
+673 1 Y 1 C ARG 205 ? CG ? E ARG 205 CG
+674 1 Y 1 C ARG 205 ? CD ? E ARG 205 CD
+675 1 Y 1 C ARG 205 ? NE ? E ARG 205 NE
+676 1 Y 1 C ARG 205 ? CZ ? E ARG 205 CZ
+677 1 Y 1 C ARG 205 ? NH1 ? E ARG 205 NH1
+678 1 Y 1 C ARG 205 ? NH2 ? E ARG 205 NH2
+679 1 Y 1 C LYS 207 ? CG ? E LYS 207 CG
+680 1 Y 1 C LYS 207 ? CD ? E LYS 207 CD
+681 1 Y 1 C LYS 207 ? CE ? E LYS 207 CE
+682 1 Y 1 C LYS 207 ? NZ ? E LYS 207 NZ
+683 1 Y 1 C ILE 208 ? CG1 ? E ILE 208 CG1
+684 1 Y 1 C ILE 208 ? CG2 ? E ILE 208 CG2
+685 1 Y 1 C ILE 208 ? CD1 ? E ILE 208 CD1
+686 1 Y 1 C ASP 209 ? CG ? E ASP 209 CG
+687 1 Y 1 C ASP 209 ? OD1 ? E ASP 209 OD1
+688 1 Y 1 C ASP 209 ? OD2 ? E ASP 209 OD2
+689 1 Y 1 C ASP 210 ? CG ? E ASP 210 CG
+690 1 Y 1 C ASP 210 ? OD1 ? E ASP 210 OD1
+691 1 Y 1 C ASP 210 ? OD2 ? E ASP 210 OD2
+692 1 Y 1 C THR 212 ? OG1 ? E THR 212 OG1
+693 1 Y 1 C THR 212 ? CG2 ? E THR 212 CG2
+694 1 Y 1 C ASP 213 ? CG ? E ASP 213 CG
+695 1 Y 1 C ASP 213 ? OD1 ? E ASP 213 OD1
+696 1 Y 1 C ASP 213 ? OD2 ? E ASP 213 OD2
+697 1 Y 1 C SER 214 ? OG ? E SER 214 OG
+698 1 Y 1 C LYS 215 ? CG ? E LYS 215 CG
+699 1 Y 1 C LYS 215 ? CD ? E LYS 215 CD
+700 1 Y 1 C LYS 215 ? CE ? E LYS 215 CE
+701 1 Y 1 C LYS 215 ? NZ ? E LYS 215 NZ
+702 1 Y 1 C GLU 217 ? CG ? E GLU 217 CG
+703 1 Y 1 C GLU 217 ? CD ? E GLU 217 CD
+704 1 Y 1 C GLU 217 ? OE1 ? E GLU 217 OE1
+705 1 Y 1 C GLU 217 ? OE2 ? E GLU 217 OE2
+706 1 Y 1 C ASP 218 ? CG ? E ASP 218 CG
+707 1 Y 1 C ASP 218 ? OD1 ? E ASP 218 OD1
+708 1 Y 1 C ASP 218 ? OD2 ? E ASP 218 OD2
+709 1 Y 1 C TRP 219 ? CG ? E TRP 219 CG
+710 1 Y 1 C TRP 219 ? CD1 ? E TRP 219 CD1
+711 1 Y 1 C TRP 219 ? CD2 ? E TRP 219 CD2
+712 1 Y 1 C TRP 219 ? NE1 ? E TRP 219 NE1
+713 1 Y 1 C TRP 219 ? CE2 ? E TRP 219 CE2
+714 1 Y 1 C TRP 219 ? CE3 ? E TRP 219 CE3
+715 1 Y 1 C TRP 219 ? CZ2 ? E TRP 219 CZ2
+716 1 Y 1 C TRP 219 ? CZ3 ? E TRP 219 CZ3
+717 1 Y 1 C TRP 219 ? CH2 ? E TRP 219 CH2
+718 1 Y 1 C ASP 220 ? CG ? E ASP 220 CG
+719 1 Y 1 C ASP 220 ? OD1 ? E ASP 220 OD1
+720 1 Y 1 C ASP 220 ? OD2 ? E ASP 220 OD2
+721 1 Y 1 C LYS 221 ? CG ? E LYS 221 CG
+722 1 Y 1 C LYS 221 ? CD ? E LYS 221 CD
+723 1 Y 1 C LYS 221 ? CE ? E LYS 221 CE
+724 1 Y 1 C LYS 221 ? NZ ? E LYS 221 NZ
+725 1 Y 1 C GLU 223 ? CG ? E GLU 223 CG
+726 1 Y 1 C GLU 223 ? CD ? E GLU 223 CD
+727 1 Y 1 C GLU 223 ? OE1 ? E GLU 223 OE1
+728 1 Y 1 C GLU 223 ? OE2 ? E GLU 223 OE2
+729 1 Y 1 C HIS 224 ? CG ? E HIS 224 CG
+730 1 Y 1 C HIS 224 ? ND1 ? E HIS 224 ND1
+731 1 Y 1 C HIS 224 ? CD2 ? E HIS 224 CD2
+732 1 Y 1 C HIS 224 ? CE1 ? E HIS 224 CE1
+733 1 Y 1 C HIS 224 ? NE2 ? E HIS 224 NE2
+734 1 Y 1 C ASP 227 ? CG ? E ASP 227 CG
+735 1 Y 1 C ASP 227 ? OD1 ? E ASP 227 OD1
+736 1 Y 1 C ASP 227 ? OD2 ? E ASP 227 OD2
+737 1 Y 1 C ASP 229 ? CG ? E ASP 229 CG
+738 1 Y 1 C ASP 229 ? OD1 ? E ASP 229 OD1
+739 1 Y 1 C ASP 229 ? OD2 ? E ASP 229 OD2
+740 1 Y 1 C LYS 231 ? CG ? E LYS 231 CG
+741 1 Y 1 C LYS 231 ? CD ? E LYS 231 CD
+742 1 Y 1 C LYS 231 ? CE ? E LYS 231 CE
+743 1 Y 1 C LYS 231 ? NZ ? E LYS 231 NZ
+744 1 Y 1 C GLU 234 ? CG ? E GLU 234 CG
+745 1 Y 1 C GLU 234 ? CD ? E GLU 234 CD
+746 1 Y 1 C GLU 234 ? OE1 ? E GLU 234 OE1
+747 1 Y 1 C GLU 234 ? OE2 ? E GLU 234 OE2
+748 1 Y 1 C ASP 235 ? CG ? E ASP 235 CG
+749 1 Y 1 C ASP 235 ? OD1 ? E ASP 235 OD1
+750 1 Y 1 C ASP 235 ? OD2 ? E ASP 235 OD2
+751 1 Y 1 C TRP 236 ? CG ? E TRP 236 CG
+752 1 Y 1 C TRP 236 ? CD1 ? E TRP 236 CD1
+753 1 Y 1 C TRP 236 ? CD2 ? E TRP 236 CD2
+754 1 Y 1 C TRP 236 ? NE1 ? E TRP 236 NE1
+755 1 Y 1 C TRP 236 ? CE2 ? E TRP 236 CE2
+756 1 Y 1 C TRP 236 ? CE3 ? E TRP 236 CE3
+757 1 Y 1 C TRP 236 ? CZ2 ? E TRP 236 CZ2
+758 1 Y 1 C TRP 236 ? CZ3 ? E TRP 236 CZ3
+759 1 Y 1 C TRP 236 ? CH2 ? E TRP 236 CH2
+760 1 Y 1 C GLU 239 ? CG ? E GLU 239 CG
+761 1 Y 1 C GLU 239 ? CD ? E GLU 239 CD
+762 1 Y 1 C GLU 239 ? OE1 ? E GLU 239 OE1
+763 1 Y 1 C GLU 239 ? OE2 ? E GLU 239 OE2
+764 1 Y 1 C ASP 241 ? CG ? E ASP 241 CG
+765 1 Y 1 C ASP 241 ? OD1 ? E ASP 241 OD1
+766 1 Y 1 C ASP 241 ? OD2 ? E ASP 241 OD2
+767 1 Y 1 C GLU 243 ? CG ? E GLU 243 CG
+768 1 Y 1 C GLU 243 ? CD ? E GLU 243 CD
+769 1 Y 1 C GLU 243 ? OE1 ? E GLU 243 OE1
+770 1 Y 1 C GLU 243 ? OE2 ? E GLU 243 OE2
+771 1 Y 1 C GLU 245 ? CG ? E GLU 245 CG
+772 1 Y 1 C GLU 245 ? CD ? E GLU 245 CD
+773 1 Y 1 C GLU 245 ? OE1 ? E GLU 245 OE1
+774 1 Y 1 C GLU 245 ? OE2 ? E GLU 245 OE2
+775 1 Y 1 C GLN 250 ? CG ? E GLN 250 CG
+776 1 Y 1 C GLN 250 ? CD ? E GLN 250 CD
+777 1 Y 1 C GLN 250 ? OE1 ? E GLN 250 OE1
+778 1 Y 1 C GLN 250 ? NE2 ? E GLN 250 NE2
+779 1 Y 1 C GLU 253 ? CG ? E GLU 253 CG
+780 1 Y 1 C GLU 253 ? CD ? E GLU 253 CD
+781 1 Y 1 C GLU 253 ? OE1 ? E GLU 253 OE1
+782 1 Y 1 C GLU 253 ? OE2 ? E GLU 253 OE2
+783 1 Y 1 C LYS 255 ? CG ? E LYS 255 CG
+784 1 Y 1 C LYS 255 ? CD ? E LYS 255 CD
+785 1 Y 1 C LYS 255 ? CE ? E LYS 255 CE
+786 1 Y 1 C LYS 255 ? NZ ? E LYS 255 NZ
+787 1 Y 1 C GLU 257 ? CG ? E GLU 257 CG
+788 1 Y 1 C GLU 257 ? CD ? E GLU 257 CD
+789 1 Y 1 C GLU 257 ? OE1 ? E GLU 257 OE1
+790 1 Y 1 C GLU 257 ? OE2 ? E GLU 257 OE2
+791 1 Y 1 C TRP 258 ? CG ? E TRP 258 CG
+792 1 Y 1 C TRP 258 ? CD1 ? E TRP 258 CD1
+793 1 Y 1 C TRP 258 ? CD2 ? E TRP 258 CD2
+794 1 Y 1 C TRP 258 ? NE1 ? E TRP 258 NE1
+795 1 Y 1 C TRP 258 ? CE2 ? E TRP 258 CE2
+796 1 Y 1 C TRP 258 ? CE3 ? E TRP 258 CE3
+797 1 Y 1 C TRP 258 ? CZ2 ? E TRP 258 CZ2
+798 1 Y 1 C TRP 258 ? CZ3 ? E TRP 258 CZ3
+799 1 Y 1 C TRP 258 ? CH2 ? E TRP 258 CH2
+800 1 Y 1 C LYS 259 ? CG ? E LYS 259 CG
+801 1 Y 1 C LYS 259 ? CD ? E LYS 259 CD
+802 1 Y 1 C LYS 259 ? CE ? E LYS 259 CE
+803 1 Y 1 C LYS 259 ? NZ ? E LYS 259 NZ
+804 1 Y 1 C ARG 261 ? CG ? E ARG 261 CG
+805 1 Y 1 C ARG 261 ? CD ? E ARG 261 CD
+806 1 Y 1 C ARG 261 ? NE ? E ARG 261 NE
+807 1 Y 1 C ARG 261 ? CZ ? E ARG 261 CZ
+808 1 Y 1 C ARG 261 ? NH1 ? E ARG 261 NH1
+809 1 Y 1 C ARG 261 ? NH2 ? E ARG 261 NH2
+810 1 Y 1 C GLN 262 ? CG ? E GLN 262 CG
+811 1 Y 1 C GLN 262 ? CD ? E GLN 262 CD
+812 1 Y 1 C GLN 262 ? OE1 ? E GLN 262 OE1
+813 1 Y 1 C GLN 262 ? NE2 ? E GLN 262 NE2
+814 1 Y 1 C ILE 263 ? CG1 ? E ILE 263 CG1
+815 1 Y 1 C ILE 263 ? CG2 ? E ILE 263 CG2
+816 1 Y 1 C ILE 263 ? CD1 ? E ILE 263 CD1
+817 1 Y 1 C ASP 264 ? CG ? E ASP 264 CG
+818 1 Y 1 C ASP 264 ? OD1 ? E ASP 264 OD1
+819 1 Y 1 C ASP 264 ? OD2 ? E ASP 264 OD2
+820 1 Y 1 C ASN 265 ? CG ? E ASN 265 CG
+821 1 Y 1 C ASN 265 ? OD1 ? E ASN 265 OD1
+822 1 Y 1 C ASN 265 ? ND2 ? E ASN 265 ND2
+823 1 Y 1 C PRO 266 ? CG ? E PRO 266 CG
+824 1 Y 1 C PRO 266 ? CD ? E PRO 266 CD
+825 1 Y 1 C ASP 267 ? CG ? E ASP 267 CG
+826 1 Y 1 C ASP 267 ? OD1 ? E ASP 267 OD1
+827 1 Y 1 C ASP 267 ? OD2 ? E ASP 267 OD2
+828 1 Y 1 C TYR 268 ? CG ? E TYR 268 CG
+829 1 Y 1 C TYR 268 ? CD1 ? E TYR 268 CD1
+830 1 Y 1 C TYR 268 ? CD2 ? E TYR 268 CD2
+831 1 Y 1 C TYR 268 ? CE1 ? E TYR 268 CE1
+832 1 Y 1 C TYR 268 ? CE2 ? E TYR 268 CE2
+833 1 Y 1 C TYR 268 ? CZ ? E TYR 268 CZ
+834 1 Y 1 C TYR 268 ? OH ? E TYR 268 OH
+835 1 Y 1 C LYS 269 ? CG ? E LYS 269 CG
+836 1 Y 1 C LYS 269 ? CD ? E LYS 269 CD
+837 1 Y 1 C LYS 269 ? CE ? E LYS 269 CE
+838 1 Y 1 C LYS 269 ? NZ ? E LYS 269 NZ
+839 1 Y 1 C THR 271 ? OG1 ? E THR 271 OG1
+840 1 Y 1 C THR 271 ? CG2 ? E THR 271 CG2
+841 1 Y 1 C TRP 272 ? CG ? E TRP 272 CG
+842 1 Y 1 C TRP 272 ? CD1 ? E TRP 272 CD1
+843 1 Y 1 C TRP 272 ? CD2 ? E TRP 272 CD2
+844 1 Y 1 C TRP 272 ? NE1 ? E TRP 272 NE1
+845 1 Y 1 C TRP 272 ? CE2 ? E TRP 272 CE2
+846 1 Y 1 C TRP 272 ? CE3 ? E TRP 272 CE3
+847 1 Y 1 C TRP 272 ? CZ2 ? E TRP 272 CZ2
+848 1 Y 1 C TRP 272 ? CZ3 ? E TRP 272 CZ3
+849 1 Y 1 C TRP 272 ? CH2 ? E TRP 272 CH2
+850 1 Y 1 C ILE 273 ? CG1 ? E ILE 273 CG1
+851 1 Y 1 C ILE 273 ? CG2 ? E ILE 273 CG2
+852 1 Y 1 C ILE 273 ? CD1 ? E ILE 273 CD1
+853 1 Y 1 C HIS 274 ? CG ? E HIS 274 CG
+854 1 Y 1 C HIS 274 ? ND1 ? E HIS 274 ND1
+855 1 Y 1 C HIS 274 ? CD2 ? E HIS 274 CD2
+856 1 Y 1 C HIS 274 ? CE1 ? E HIS 274 CE1
+857 1 Y 1 C HIS 274 ? NE2 ? E HIS 274 NE2
+858 1 Y 1 C GLU 276 ? CG ? E GLU 276 CG
+859 1 Y 1 C GLU 276 ? CD ? E GLU 276 CD
+860 1 Y 1 C GLU 276 ? OE1 ? E GLU 276 OE1
+861 1 Y 1 C GLU 276 ? OE2 ? E GLU 276 OE2
+862 1 Y 1 C ILE 277 ? CG1 ? E ILE 277 CG1
+863 1 Y 1 C ILE 277 ? CG2 ? E ILE 277 CG2
+864 1 Y 1 C ILE 277 ? CD1 ? E ILE 277 CD1
+865 1 Y 1 C ASP 278 ? CG ? E ASP 278 CG
+866 1 Y 1 C ASP 278 ? OD1 ? E ASP 278 OD1
+867 1 Y 1 C ASP 278 ? OD2 ? E ASP 278 OD2
+868 1 Y 1 C ASN 279 ? CG ? E ASN 279 CG
+869 1 Y 1 C ASN 279 ? OD1 ? E ASN 279 OD1
+870 1 Y 1 C ASN 279 ? ND2 ? E ASN 279 ND2
+871 1 Y 1 C GLU 281 ? CG ? E GLU 281 CG
+872 1 Y 1 C GLU 281 ? CD ? E GLU 281 CD
+873 1 Y 1 C GLU 281 ? OE1 ? E GLU 281 OE1
+874 1 Y 1 C GLU 281 ? OE2 ? E GLU 281 OE2
+875 1 Y 1 C TYR 282 ? CG ? E TYR 282 CG
+876 1 Y 1 C TYR 282 ? CD1 ? E TYR 282 CD1
+877 1 Y 1 C TYR 282 ? CD2 ? E TYR 282 CD2
+878 1 Y 1 C TYR 282 ? CE1 ? E TYR 282 CE1
+879 1 Y 1 C TYR 282 ? CE2 ? E TYR 282 CE2
+880 1 Y 1 C TYR 282 ? CZ ? E TYR 282 CZ
+881 1 Y 1 C TYR 282 ? OH ? E TYR 282 OH
+882 1 Y 1 C SER 283 ? OG ? E SER 283 OG
+883 1 Y 1 C ASP 285 ? CG ? E ASP 285 CG
+884 1 Y 1 C ASP 285 ? OD1 ? E ASP 285 OD1
+885 1 Y 1 C ASP 285 ? OD2 ? E ASP 285 OD2
+886 1 Y 1 C SER 287 ? OG ? E SER 287 OG
+887 1 Y 1 C ILE 288 ? CG1 ? E ILE 288 CG1
+888 1 Y 1 C ILE 288 ? CG2 ? E ILE 288 CG2
+889 1 Y 1 C ILE 288 ? CD1 ? E ILE 288 CD1
+890 1 Y 1 C TYR 289 ? CG ? E TYR 289 CG
+891 1 Y 1 C TYR 289 ? CD1 ? E TYR 289 CD1
+892 1 Y 1 C TYR 289 ? CD2 ? E TYR 289 CD2
+893 1 Y 1 C TYR 289 ? CE1 ? E TYR 289 CE1
+894 1 Y 1 C TYR 289 ? CE2 ? E TYR 289 CE2
+895 1 Y 1 C TYR 289 ? CZ ? E TYR 289 CZ
+896 1 Y 1 C TYR 289 ? OH ? E TYR 289 OH
+897 1 Y 1 C ASP 292 ? CG ? E ASP 292 CG
+898 1 Y 1 C ASP 292 ? OD1 ? E ASP 292 OD1
+899 1 Y 1 C ASP 292 ? OD2 ? E ASP 292 OD2
+900 1 Y 1 C ASN 293 ? CG ? E ASN 293 CG
+901 1 Y 1 C ASN 293 ? OD1 ? E ASN 293 OD1
+902 1 Y 1 C ASN 293 ? ND2 ? E ASN 293 ND2
+903 1 Y 1 C LEU 299 ? CG ? E LEU 299 CG
+904 1 Y 1 C LEU 299 ? CD1 ? E LEU 299 CD1
+905 1 Y 1 C LEU 299 ? CD2 ? E LEU 299 CD2
+906 1 Y 1 C ASP 300 ? CG ? E ASP 300 CG
+907 1 Y 1 C ASP 300 ? OD1 ? E ASP 300 OD1
+908 1 Y 1 C ASP 300 ? OD2 ? E ASP 300 OD2
+909 1 Y 1 C THR 316 ? OG1 ? E THR 316 OG1
+910 1 Y 1 C THR 316 ? CG2 ? E THR 316 CG2
+911 1 Y 1 C ASN 317 ? CG ? E ASN 317 CG
+912 1 Y 1 C ASN 317 ? OD1 ? E ASN 317 OD1
+913 1 Y 1 C ASN 317 ? ND2 ? E ASN 317 ND2
+914 1 Y 1 C GLU 319 ? CG ? E GLU 319 CG
+915 1 Y 1 C GLU 319 ? CD ? E GLU 319 CD
+916 1 Y 1 C GLU 319 ? OE1 ? E GLU 319 OE1
+917 1 Y 1 C GLU 319 ? OE2 ? E GLU 319 OE2
+918 1 Y 1 C GLU 324 ? CG ? E GLU 324 CG
+919 1 Y 1 C GLU 324 ? CD ? E GLU 324 CD
+920 1 Y 1 C GLU 324 ? OE1 ? E GLU 324 OE1
+921 1 Y 1 C GLU 324 ? OE2 ? E GLU 324 OE2
+922 1 Y 1 C LEU 350 ? CG ? E LEU 350 CG
+923 1 Y 1 C LEU 350 ? CD1 ? E LEU 350 CD1
+924 1 Y 1 C LEU 350 ? CD2 ? E LEU 350 CD2
+925 1 Y 1 C LYS 351 ? CG ? E LYS 351 CG
+926 1 Y 1 C LYS 351 ? CD ? E LYS 351 CD
+927 1 Y 1 C LYS 351 ? CE ? E LYS 351 CE
+928 1 Y 1 C LYS 351 ? NZ ? E LYS 351 NZ
+929 1 Y 1 C GLU 354 ? CG ? E GLU 354 CG
+930 1 Y 1 C GLU 354 ? CD ? E GLU 354 CD
+931 1 Y 1 C GLU 354 ? OE1 ? E GLU 354 OE1
+932 1 Y 1 C GLU 354 ? OE2 ? E GLU 354 OE2
+933 1 Y 1 C GLU 355 ? CG ? E GLU 355 CG
+934 1 Y 1 C GLU 355 ? CD ? E GLU 355 CD
+935 1 Y 1 C GLU 355 ? OE1 ? E GLU 355 OE1
+936 1 Y 1 C GLU 355 ? OE2 ? E GLU 355 OE2
+937 1 Y 1 C ASP 356 ? CG ? E ASP 356 CG
+938 1 Y 1 C ASP 356 ? OD1 ? E ASP 356 OD1
+939 1 Y 1 C ASP 356 ? OD2 ? E ASP 356 OD2
+940 1 Y 1 C LYS 357 ? CG ? E LYS 357 CG
+941 1 Y 1 C LYS 357 ? CD ? E LYS 357 CD
+942 1 Y 1 C LYS 357 ? CE ? E LYS 357 CE
+943 1 Y 1 C LYS 357 ? NZ ? E LYS 357 NZ
+944 1 Y 1 C LYS 358 ? CG ? E LYS 358 CG
+945 1 Y 1 C LYS 358 ? CD ? E LYS 358 CD
+946 1 Y 1 C LYS 358 ? CE ? E LYS 358 CE
+947 1 Y 1 C LYS 358 ? NZ ? E LYS 358 NZ
+948 1 Y 1 C ARG 359 ? CG ? E ARG 359 CG
+949 1 Y 1 C ARG 359 ? CD ? E ARG 359 CD
+950 1 Y 1 C ARG 359 ? NE ? E ARG 359 NE
+951 1 Y 1 C ARG 359 ? CZ ? E ARG 359 CZ
+952 1 Y 1 C ARG 359 ? NH1 ? E ARG 359 NH1
+953 1 Y 1 C ARG 359 ? NH2 ? E ARG 359 NH2
+954 1 Y 1 C LYS 360 ? CG ? E LYS 360 CG
+955 1 Y 1 C LYS 360 ? CD ? E LYS 360 CD
+956 1 Y 1 C LYS 360 ? CE ? E LYS 360 CE
+957 1 Y 1 C LYS 360 ? NZ ? E LYS 360 NZ
+958 1 Y 1 C GLU 366 ? CG ? E GLU 366 CG
+959 1 Y 1 C GLU 366 ? CD ? E GLU 366 CD
+960 1 Y 1 C GLU 366 ? OE1 ? E GLU 366 OE1
+961 1 Y 1 C GLU 366 ? OE2 ? E GLU 366 OE2
+962 1 Y 1 C ASP 367 ? CG ? E ASP 367 CG
+963 1 Y 1 C ASP 367 ? OD1 ? E ASP 367 OD1
+964 1 Y 1 C ASP 367 ? OD2 ? E ASP 367 OD2
+965 1 Y 1 C LYS 368 ? CG ? E LYS 368 CG
+966 1 Y 1 C LYS 368 ? CD ? E LYS 368 CD
+967 1 Y 1 C LYS 368 ? CE ? E LYS 368 CE
+968 1 Y 1 C LYS 368 ? NZ ? E LYS 368 NZ
+969 1 Y 1 C GLU 369 ? CG ? E GLU 369 CG
+970 1 Y 1 C GLU 369 ? CD ? E GLU 369 CD
+971 1 Y 1 C GLU 369 ? OE1 ? E GLU 369 OE1
+972 1 Y 1 C GLU 369 ? OE2 ? E GLU 369 OE2
+
+loop_
+_pdbx_unobs_or_zero_occ_residues.id
+_pdbx_unobs_or_zero_occ_residues.PDB_model_num
+_pdbx_unobs_or_zero_occ_residues.polymer_flag
+_pdbx_unobs_or_zero_occ_residues.occupancy_flag
+_pdbx_unobs_or_zero_occ_residues.auth_asym_id
+_pdbx_unobs_or_zero_occ_residues.auth_comp_id
+_pdbx_unobs_or_zero_occ_residues.auth_seq_id
+_pdbx_unobs_or_zero_occ_residues.PDB_ins_code
+_pdbx_unobs_or_zero_occ_residues.label_asym_id
+_pdbx_unobs_or_zero_occ_residues.label_comp_id
+_pdbx_unobs_or_zero_occ_residues.label_seq_id
+1 1 Y 1 T GLN 29 ? B GLN 29
+2 1 Y 1 T GLY 30 ? B GLY 30
+3 1 Y 1 T PRO 31 ? B PRO 31
+4 1 Y 1 T GLY 32 ? B GLY 32
+5 1 Y 1 T ALA 279 ? B ALA 279
+6 1 Y 1 T THR 280 ? B THR 280
+7 1 Y 1 T LEU 281 ? B LEU 281
+8 1 Y 1 T ALA 282 ? B ALA 282
+9 1 Y 1 T ARG 283 ? B ARG 283
+10 1 Y 1 T ALA 284 ? B ALA 284
+11 1 Y 1 T ALA 285 ? B ALA 285
+12 1 Y 1 T PRO 286 ? B PRO 286
+13 1 Y 1 T GLY 287 ? B GLY 287
+14 1 Y 1 T GLU 288 ? B GLU 288
+15 1 Y 1 T ALA 289 ? B ALA 289
+16 1 Y 1 T PRO 290 ? B PRO 290
+17 1 Y 1 T GLY 314 ? B GLY 314
+18 1 Y 1 T GLY 315 ? B GLY 315
+19 1 Y 1 T PRO 316 ? B PRO 316
+20 1 Y 1 T GLY 317 ? B GLY 317
+21 1 Y 1 T GLY 318 ? B GLY 318
+22 1 Y 1 T ARG 319 ? B ARG 319
+23 1 Y 1 T PRO 349 ? B PRO 349
+24 1 Y 1 T PRO 350 ? B PRO 350
+25 1 Y 1 T VAL 351 ? B VAL 351
+26 1 Y 1 T THR 352 ? B THR 352
+27 1 Y 1 T THR 353 ? B THR 353
+28 1 Y 1 T GLU 354 ? B GLU 354
+29 1 Y 1 T GLN 355 ? B GLN 355
+30 1 Y 1 T HIS 356 ? B HIS 356
+31 1 Y 1 T GLY 357 ? B GLY 357
+32 1 Y 1 T LEU 380 ? B LEU 380
+33 1 Y 1 T GLU 381 ? B GLU 381
+34 1 Y 1 T VAL 382 ? B VAL 382
+35 1 Y 1 T ALA 383 ? B ALA 383
+36 1 Y 1 T GLY 384 ? B GLY 384
+37 1 Y 1 T LEU 385 ? B LEU 385
+38 1 Y 1 T SER 386 ? B SER 386
+39 1 Y 1 T GLY 387 ? B GLY 387
+40 1 Y 1 T PRO 388 ? B PRO 388
+41 1 Y 1 T SER 389 ? B SER 389
+42 1 Y 1 T LEU 390 ? B LEU 390
+43 1 Y 1 T GLU 391 ? B GLU 391
+44 1 Y 1 T ASP 392 ? B ASP 392
+45 1 Y 1 T SER 393 ? B SER 393
+46 1 Y 1 T VAL 394 ? B VAL 394
+47 1 Y 1 T GLY 395 ? B GLY 395
+48 1 Y 1 T LEU 396 ? B LEU 396
+49 1 Y 1 T PHE 397 ? B PHE 397
+50 1 Y 1 T LEU 398 ? B LEU 398
+51 1 Y 1 T SER 399 ? B SER 399
+52 1 Y 1 T ALA 400 ? B ALA 400
+53 1 Y 1 T PHE 401 ? B PHE 401
+54 1 Y 1 T LEU 402 ? B LEU 402
+55 1 Y 1 T LEU 403 ? B LEU 403
+56 1 Y 1 T LEU 404 ? B LEU 404
+57 1 Y 1 T GLY 405 ? B GLY 405
+58 1 Y 1 T LEU 406 ? B LEU 406
+59 1 Y 1 T PHE 407 ? B PHE 407
+60 1 Y 1 T LYS 408 ? B LYS 408
+61 1 Y 1 T ALA 409 ? B ALA 409
+62 1 Y 1 T LEU 410 ? B LEU 410
+63 1 Y 1 T GLY 411 ? B GLY 411
+64 1 Y 1 T TRP 412 ? B TRP 412
+65 1 Y 1 T ALA 413 ? B ALA 413
+66 1 Y 1 T ALA 414 ? B ALA 414
+67 1 Y 1 T VAL 415 ? B VAL 415
+68 1 Y 1 T TYR 416 ? B TYR 416
+69 1 Y 1 T LEU 417 ? B LEU 417
+70 1 Y 1 T SER 418 ? B SER 418
+71 1 Y 1 T THR 419 ? B THR 419
+72 1 Y 1 T CYS 420 ? B CYS 420
+73 1 Y 1 T LYS 421 ? B LYS 421
+74 1 Y 1 T ASP 422 ? B ASP 422
+75 1 Y 1 T SER 423 ? B SER 423
+76 1 Y 1 T LYS 424 ? B LYS 424
+77 1 Y 1 T LYS 425 ? B LYS 425
+78 1 Y 1 T LYS 426 ? B LYS 426
+79 1 Y 1 T ALA 427 ? B ALA 427
+80 1 Y 1 T GLU 428 ? B GLU 428
+81 1 Y 1 E SER 1 ? C SER 1
+82 1 Y 1 E ASP 17 ? C ASP 17
+83 1 Y 1 E THR 18 ? C THR 18
+84 1 Y 1 E GLY 19 ? C GLY 19
+85 1 Y 1 E SER 20 ? C SER 20
+86 1 Y 1 E ALA 21 ? C ALA 21
+87 1 Y 1 E GLY 22 ? C GLY 22
+88 1 Y 1 E GLN 467 ? C GLN 467
+89 1 Y 1 E GLU 468 ? C GLU 468
+90 1 Y 1 E GLU 469 ? C GLU 469
+91 1 Y 1 E LYS 470 ? C LYS 470
+92 1 Y 1 E PRO 471 ? C PRO 471
+93 1 Y 1 E LYS 472 ? C LYS 472
+94 1 Y 1 E LYS 473 ? C LYS 473
+95 1 Y 1 E LYS 474 ? C LYS 474
+96 1 Y 1 E LYS 475 ? C LYS 475
+97 1 Y 1 E LYS 476 ? C LYS 476
+98 1 Y 1 E ALA 477 ? C ALA 477
+99 1 Y 1 E GLN 478 ? C GLN 478
+100 1 Y 1 E GLU 479 ? C GLU 479
+101 1 Y 1 E ASP 480 ? C ASP 480
+102 1 Y 1 E LEU 481 ? C LEU 481
+103 1 Y 1 M GLU 275 ? D GLU 275
+104 1 Y 1 M LEU 276 ? D LEU 276
+105 1 Y 1 M SER 277 ? D SER 277
+106 1 Y 1 M SER 278 ? D SER 278
+107 1 Y 1 M GLN 279 ? D GLN 279
+108 1 Y 1 M PRO 280 ? D PRO 280
+109 1 Y 1 M THR 281 ? D THR 281
+110 1 Y 1 M ILE 282 ? D ILE 282
+111 1 Y 1 M PRO 283 ? D PRO 283
+112 1 Y 1 M ILE 284 ? D ILE 284
+113 1 Y 1 M VAL 285 ? D VAL 285
+114 1 Y 1 M GLY 286 ? D GLY 286
+115 1 Y 1 M ILE 287 ? D ILE 287
+116 1 Y 1 M ILE 288 ? D ILE 288
+117 1 Y 1 M ALA 289 ? D ALA 289
+118 1 Y 1 M GLY 290 ? D GLY 290
+119 1 Y 1 M LEU 291 ? D LEU 291
+120 1 Y 1 M VAL 292 ? D VAL 292
+121 1 Y 1 M LEU 293 ? D LEU 293
+122 1 Y 1 M LEU 294 ? D LEU 294
+123 1 Y 1 M GLY 295 ? D GLY 295
+124 1 Y 1 M ALA 296 ? D ALA 296
+125 1 Y 1 M VAL 297 ? D VAL 297
+126 1 Y 1 M ILE 298 ? D ILE 298
+127 1 Y 1 M THR 299 ? D THR 299
+128 1 Y 1 M GLY 300 ? D GLY 300
+129 1 Y 1 M ALA 301 ? D ALA 301
+130 1 Y 1 M VAL 302 ? D VAL 302
+131 1 Y 1 M VAL 303 ? D VAL 303
+132 1 Y 1 M ALA 304 ? D ALA 304
+133 1 Y 1 M ALA 305 ? D ALA 305
+134 1 Y 1 M VAL 306 ? D VAL 306
+135 1 Y 1 M MET 307 ? D MET 307
+136 1 Y 1 M TRP 308 ? D TRP 308
+137 1 Y 1 M ARG 309 ? D ARG 309
+138 1 Y 1 M ARG 310 ? D ARG 310
+139 1 Y 1 M LYS 311 ? D LYS 311
+140 1 Y 1 M SER 312 ? D SER 312
+141 1 Y 1 M SER 313 ? D SER 313
+142 1 Y 1 M ASP 314 ? D ASP 314
+143 1 Y 1 M ARG 315 ? D ARG 315
+144 1 Y 1 M LYS 316 ? D LYS 316
+145 1 Y 1 M GLY 317 ? D GLY 317
+146 1 Y 1 M GLY 318 ? D GLY 318
+147 1 Y 1 M SER 319 ? D SER 319
+148 1 Y 1 M TYR 320 ? D TYR 320
+149 1 Y 1 M THR 321 ? D THR 321
+150 1 Y 1 M GLN 322 ? D GLN 322
+151 1 Y 1 M ALA 323 ? D ALA 323
+152 1 Y 1 M ALA 324 ? D ALA 324
+153 1 Y 1 M SER 325 ? D SER 325
+154 1 Y 1 M SER 326 ? D SER 326
+155 1 Y 1 M ASP 327 ? D ASP 327
+156 1 Y 1 M SER 328 ? D SER 328
+157 1 Y 1 M ALA 329 ? D ALA 329
+158 1 Y 1 M GLN 330 ? D GLN 330
+159 1 Y 1 M GLY 331 ? D GLY 331
+160 1 Y 1 M SER 332 ? D SER 332
+161 1 Y 1 M ASP 333 ? D ASP 333
+162 1 Y 1 M VAL 334 ? D VAL 334
+163 1 Y 1 M SER 335 ? D SER 335
+164 1 Y 1 M LEU 336 ? D LEU 336
+165 1 Y 1 M THR 337 ? D THR 337
+166 1 Y 1 M ALA 338 ? D ALA 338
+167 1 Y 1 M CYS 339 ? D CYS 339
+168 1 Y 1 M LYS 340 ? D LYS 340
+169 1 Y 1 M VAL 341 ? D VAL 341
+170 1 Y 1 C GLU 1 ? E GLU 1
+171 1 Y 1 C PRO 2 ? E PRO 2
+172 1 Y 1 C ALA 3 ? E ALA 3
+173 1 Y 1 C ASP 12 ? E ASP 12
+174 1 Y 1 C GLY 13 ? E GLY 13
+175 1 Y 1 C ASP 370 ? E ASP 370
+176 1 Y 1 C ASP 371 ? E ASP 371
+177 1 Y 1 C GLU 372 ? E GLU 372
+178 1 Y 1 C ASP 373 ? E ASP 373
+179 1 Y 1 C LYS 374 ? E LYS 374
+180 1 Y 1 C ASP 375 ? E ASP 375
+181 1 Y 1 C GLU 376 ? E GLU 376
+182 1 Y 1 C ASP 377 ? E ASP 377
+183 1 Y 1 C GLU 378 ? E GLU 378
+184 1 Y 1 C GLU 379 ? E GLU 379
+185 1 Y 1 C ASP 380 ? E ASP 380
+186 1 Y 1 C GLU 381 ? E GLU 381
+187 1 Y 1 C GLU 382 ? E GLU 382
+188 1 Y 1 C ASP 383 ? E ASP 383
+189 1 Y 1 C LYS 384 ? E LYS 384
+190 1 Y 1 C GLU 385 ? E GLU 385
+191 1 Y 1 C GLU 386 ? E GLU 386
+192 1 Y 1 C ASP 387 ? E ASP 387
+193 1 Y 1 C GLU 388 ? E GLU 388
+194 1 Y 1 C GLU 389 ? E GLU 389
+195 1 Y 1 C GLU 390 ? E GLU 390
+196 1 Y 1 C ASP 391 ? E ASP 391
+197 1 Y 1 C VAL 392 ? E VAL 392
+198 1 Y 1 C PRO 393 ? E PRO 393
+199 1 Y 1 C GLY 394 ? E GLY 394
+200 1 Y 1 C GLN 395 ? E GLN 395
+201 1 Y 1 C ALA 396 ? E ALA 396
+202 1 Y 1 C LYS 397 ? E LYS 397
+203 1 Y 1 C ASP 398 ? E ASP 398
+204 1 Y 1 C GLU 399 ? E GLU 399
+205 1 Y 1 C LEU 400 ? E LEU 400
+
+_em_ctf_correction.id 1
+_em_ctf_correction.em_image_processing_id 1
+_em_ctf_correction.type 'PHASE FLIPPING AND AMPLITUDE CORRECTION'
+_em_ctf_correction.details 'Patch CTF'
+
+_em_entity_assembly_naturalsource.id 2
+_em_entity_assembly_naturalsource.entity_assembly_id 1
+_em_entity_assembly_naturalsource.cell ?
+_em_entity_assembly_naturalsource.cellular_location ?
+_em_entity_assembly_naturalsource.ncbi_tax_id 9606
+_em_entity_assembly_naturalsource.organ ?
+_em_entity_assembly_naturalsource.organelle ?
+_em_entity_assembly_naturalsource.organism 'Homo sapiens'
+_em_entity_assembly_naturalsource.strain ?
+_em_entity_assembly_naturalsource.tissue ?
+
+_em_image_processing.id 1
+_em_image_processing.image_recording_id 1
+_em_image_processing.details ?
+
+_em_image_recording.id 1
+_em_image_recording.imaging_id 1
+_em_image_recording.avg_electron_dose_per_image 68
+_em_image_recording.average_exposure_time ?
+_em_image_recording.details ?
+_em_image_recording.detector_mode ?
+_em_image_recording.film_or_detector_model 'GATAN K2 SUMMIT (4k x 4k)'
+_em_image_recording.num_diffraction_images ?
+_em_image_recording.num_grids_imaged ?
+_em_image_recording.num_real_images ?
+_em_image_recording.avg_electron_dose_per_subtomogram ?
+
+loop_
+_em_software.id
+_em_software.category
+_em_software.details
+_em_software.name
+_em_software.version
+_em_software.image_processing_id
+_em_software.fitting_id
+_em_software.imaging_id
+1 'PARTICLE SELECTION' ? ? ? 1 ? ?
+2 'IMAGE ACQUISITION' ? ? ? ? ? 1
+3 MASKING ? ? ? ? ? ?
+4 'CTF CORRECTION' ? ? ? 1 ? ?
+5 'LAYERLINE INDEXING' ? ? ? ? ? ?
+6 'DIFFRACTION INDEXING' ? ? ? ? ? ?
+7 'MODEL FITTING' ? ? ? ? ? ?
+8 'MODEL REFINEMENT' ? ? ? ? ? ?
+9 OTHER ? ? ? ? ? ?
+10 'INITIAL EULER ASSIGNMENT' ? ? ? 1 ? ?
+11 'FINAL EULER ASSIGNMENT' ? ? ? 1 ? ?
+12 CLASSIFICATION ? ? ? 1 ? ?
+13 RECONSTRUCTION ? ? ? 1 ? ?
+
+_em_specimen.id 1
+_em_specimen.experiment_id 1
+_em_specimen.concentration ?
+_em_specimen.details ?
+_em_specimen.embedding_applied NO
+_em_specimen.shadowing_applied NO
+_em_specimen.staining_applied NO
+_em_specimen.vitrification_applied YES
+
+loop_
+_pdbx_audit_support.funding_organization
+_pdbx_audit_support.country
+_pdbx_audit_support.grant_number
+_pdbx_audit_support.ordinal
+'German Research Foundation (DFG)' 'European Union' TA157/12-1 1
+'European Research Council (ERC)' 'European Union' 789121 2
+
+loop_
+_pdbx_branch_scheme.asym_id
+_pdbx_branch_scheme.entity_id
+_pdbx_branch_scheme.mon_id
+_pdbx_branch_scheme.num
+_pdbx_branch_scheme.pdb_asym_id
+_pdbx_branch_scheme.pdb_mon_id
+_pdbx_branch_scheme.pdb_seq_num
+_pdbx_branch_scheme.auth_asym_id
+_pdbx_branch_scheme.auth_mon_id
+_pdbx_branch_scheme.auth_seq_num
+_pdbx_branch_scheme.hetero
+F 6 NAG 1 A NAG 1 T NAG 380 n
+F 6 NAG 2 A NAG 2 T NAG 381 n
+F 6 BMA 3 A BMA 3 T BMA 382 n
+G 7 NAG 1 D NAG 1 M NAG 275 n
+G 7 NAG 2 D NAG 2 M NAG 276 n
+G 7 BMA 3 D BMA 3 M BMA 277 n
+G 7 MAN 4 D MAN 4 M MAN 278 n
+G 7 MAN 5 D MAN 5 M MAN 279 n
+G 7 MAN 6 D MAN 6 M MAN 280 n
+G 7 GLC 7 D GLC 7 M GLC 281 n
+
+loop_
+_pdbx_chem_comp_identifier.comp_id
+_pdbx_chem_comp_identifier.type
+_pdbx_chem_comp_identifier.program
+_pdbx_chem_comp_identifier.program_version
+_pdbx_chem_comp_identifier.identifier
+BMA 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DManpb
+BMA 'COMMON NAME' GMML 1.0 b-D-mannopyranose
+BMA 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-D-Manp
+BMA 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Man
+GLC 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DGlcpa
+GLC 'COMMON NAME' GMML 1.0 a-D-glucopyranose
+GLC 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 a-D-Glcp
+GLC 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Glc
+MAN 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DManpa
+MAN 'COMMON NAME' GMML 1.0 a-D-mannopyranose
+MAN 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 a-D-Manp
+MAN 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Man
+NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DGlcpNAcb
+NAG 'COMMON NAME' GMML 1.0 N-acetyl-b-D-glucopyranosamine
+NAG 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-D-GlcpNAc
+NAG 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 GlcNAc
+
+loop_
+_pdbx_entity_branch.entity_id
+_pdbx_entity_branch.type
+6 oligosaccharide
+7 oligosaccharide
+
+loop_
+_pdbx_entity_branch_descriptor.ordinal
+_pdbx_entity_branch_descriptor.entity_id
+_pdbx_entity_branch_descriptor.descriptor
+_pdbx_entity_branch_descriptor.type
+_pdbx_entity_branch_descriptor.program
+_pdbx_entity_branch_descriptor.program_version
+1 6 DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROH 'Glycam Condensed Sequence' GMML 1.0
+2 6 'WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1' WURCS PDB2Glycan 1.1.0
+3 6 '[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}' LINUCS PDB-CARE ?
+4 7 DGlcpa1-3DManpa1-2DManpa1-2DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROH 'Glycam Condensed Sequence' GMML 1.0
+5 7
+;WURCS=2.0/4,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1a_1-5]/1-1-2-3-3-3-4/a4-b1_b4-c1_c3-d1_d2-e1_e2-f1_f3-g1
+; WURCS PDB2Glycan 1.1.0
+6 7
+;[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{[(2+1)][a-D-Manp]{[(3+1)][a-D-Glcp]{}}}}}}}
+; LINUCS PDB-CARE ?
+
+loop_
+_pdbx_entity_branch_link.link_id
+_pdbx_entity_branch_link.entity_id
+_pdbx_entity_branch_link.entity_branch_list_num_1
+_pdbx_entity_branch_link.comp_id_1
+_pdbx_entity_branch_link.atom_id_1
+_pdbx_entity_branch_link.leaving_atom_id_1
+_pdbx_entity_branch_link.entity_branch_list_num_2
+_pdbx_entity_branch_link.comp_id_2
+_pdbx_entity_branch_link.atom_id_2
+_pdbx_entity_branch_link.leaving_atom_id_2
+_pdbx_entity_branch_link.value_order
+_pdbx_entity_branch_link.details
+1 6 2 NAG C1 O1 1 NAG O4 HO4 sing ?
+2 6 3 BMA C1 O1 2 NAG O4 HO4 sing ?
+3 7 2 NAG C1 O1 1 NAG O4 HO4 sing ?
+4 7 3 BMA C1 O1 2 NAG O4 HO4 sing ?
+5 7 4 MAN C1 O1 3 BMA O3 HO3 sing ?
+6 7 5 MAN C1 O1 4 MAN O2 HO2 sing ?
+7 7 6 MAN C1 O1 5 MAN O2 HO2 sing ?
+8 7 7 GLC C1 O1 6 MAN O3 HO3 sing ?
+
+loop_
+_pdbx_entity_branch_list.entity_id
+_pdbx_entity_branch_list.comp_id
+_pdbx_entity_branch_list.num
+_pdbx_entity_branch_list.hetero
+6 NAG 1 n
+6 NAG 2 n
+6 BMA 3 n
+7 NAG 1 n
+7 NAG 2 n
+7 BMA 3 n
+7 MAN 4 n
+7 MAN 5 n
+7 MAN 6 n
+7 GLC 7 n
+
+loop_
+_pdbx_entity_instance_feature.ordinal
+_pdbx_entity_instance_feature.comp_id
+_pdbx_entity_instance_feature.asym_id
+_pdbx_entity_instance_feature.seq_num
+_pdbx_entity_instance_feature.auth_comp_id
+_pdbx_entity_instance_feature.auth_asym_id
+_pdbx_entity_instance_feature.auth_seq_num
+_pdbx_entity_instance_feature.feature_type
+_pdbx_entity_instance_feature.details
+1 BMA ? ? BMA ? ? 'SUBJECT OF INVESTIGATION' ?
+2 GLC ? ? GLC ? ? 'SUBJECT OF INVESTIGATION' ?
+3 MAN ? ? MAN ? ? 'SUBJECT OF INVESTIGATION' ?
+4 NAG ? ? NAG ? ? 'SUBJECT OF INVESTIGATION' ?
+
+_pdbx_struct_assembly_auth_evidence.id 1
+_pdbx_struct_assembly_auth_evidence.assembly_id 1
+_pdbx_struct_assembly_auth_evidence.experimental_support 'electron microscopy'
+_pdbx_struct_assembly_auth_evidence.details ?
+
+loop_
+_reflns.entry_id
+_reflns.pdbx_ordinal
+_reflns.pdbx_diffrn_id
+_reflns.number_obs
+_reflns.d_resolution_high
+_reflns.d_resolution_low
+_reflns.percent_possible_obs
+_reflns.pdbx_redundancy
+_reflns.pdbx_Rmerge_I_obs
+_reflns.pdbx_Rsym_value
+_reflns.pdbx_netI_over_sigmaI
+7QPD 1 . ? ? ? ? ? ? ? ?
+
+loop_
+_sb_ncbr_partial_atomic_charges_meta.id
+_sb_ncbr_partial_atomic_charges_meta.type
+_sb_ncbr_partial_atomic_charges_meta.method
+1 'empirical' 'SQE+qp/Schindler 2021 (CCD_gen)'
+2 'empirical' 'EEM/Racek 2016 (ccd2016_npa)'
+3 'empirical' 'QEq/Rappe 1991'
+4 'empirical' 'EQeq/None'
+5 'empirical' 'GDAC/Cho 2001'
+
+loop_
+_sb_ncbr_partial_atomic_charges.type_id
+_sb_ncbr_partial_atomic_charges.atom_id
+_sb_ncbr_partial_atomic_charges.charge
+1 1 -0.1761
+1 2 0.1376
+1 3 0.5502
+1 4 -0.4908
+1 5 -0.0187
+1 6 -0.2069
+1 7 0.1716
+1 8 0.5414
+1 9 -0.4820
+1 10 -0.0062
+1 11 -0.0566
+1 12 0.6136
+1 13 -0.4473
+1 14 -0.0815
+1 15 -0.2041
+1 16 0.1592
+1 17 0.5582
+1 18 -0.4988
+1 19 -0.0149
+1 20 -0.0398
+1 21 0.1802
+1 22 -0.2843
+1 23 0.4832
+1 24 -0.1129
+1 25 -0.2484
+1 26 -0.2005
+1 27 0.1603
+1 28 0.5548
+1 29 -0.4953
+1 30 0.2958
+1 31 -0.2880
+1 32 -0.0284
+1 33 -0.3999
+1 34 0.1580
+1 35 0.5425
+1 36 -0.4831
+1 37 -0.0395
+1 38 -0.0252
+1 39 0.1657
+1 40 -0.2038
+1 41 0.1575
+1 42 0.5538
+1 43 -0.4944
+1 44 -0.0246
+1 45 -0.0213
+1 46 -0.0419
+1 47 0.1588
+1 48 -0.1822
+1 49 -0.2010
+1 50 0.1534
+1 51 0.5488
+1 52 -0.4895
+1 53 -0.0268
+1 54 -0.0333
+1 55 -0.0422
+1 56 -0.0328
+1 57 -0.1992
+1 58 0.1614
+1 59 0.5520
+1 60 -0.4926
+1 61 -0.0118
+1 62 -0.0485
+1 63 0.6257
+1 64 -0.4605
+1 65 -0.0805
+1 66 -0.2049
+1 67 0.1564
+1 68 0.5421
+1 69 -0.4827
+1 70 -0.0294
+1 71 -0.0374
+1 72 -0.0257
+1 73 -0.2004
+1 74 0.1598
+1 75 0.5496
+1 76 -0.4903
+1 77 -0.0158
+1 78 -0.0056
+1 79 0.0389
+1 80 0.0224
+1 81 0.0255
+1 82 -0.0008
+1 83 0.2480
+1 84 -0.2212
+1 85 -0.1984
+1 86 0.1632
+1 87 0.5180
+1 88 -0.4585
+1 89 0.2953
+1 90 -0.2788
+1 91 -0.2082
+1 92 0.1715
+1 93 0.5250
+1 94 -0.4655
+1 95 -0.0259
+1 96 -0.0244
+1 97 0.1665
+1 98 -0.2798
+1 99 0.4789
+1 100 -0.1167
+1 101 -0.2435
+1 102 -0.2051
+1 103 0.1732
+1 104 0.5902
+1 105 -0.5308
+1 106 -0.0245
+1 107 0.1600
+1 108 -0.3879
+1 109 0.1137
+1 110 0.3848
+1 111 -0.2144
+1 112 -0.4041
+1 113 0.1490
+1 114 0.5593
+1 115 -0.5000
+1 116 -0.0323
+1 117 -0.0284
+1 118 0.1749
+1 119 -0.1989
+1 120 0.1642
+1 121 0.5409
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+1 123 -0.0226
+1 124 -0.2021
+1 125 0.1552
+1 126 0.5367
+1 127 -0.4774
+1 128 -0.0103
+1 129 -0.1989
+1 130 0.1849
+1 131 0.5318
+1 132 -0.4724
+1 133 -0.0423
+1 134 0.5964
+1 135 -0.4379
+1 136 -0.0738
+1 137 -0.2025
+1 138 0.1871
+1 139 0.5292
+1 140 -0.4698
+1 141 -0.2039
+1 142 0.1517
+1 143 0.5544
+1 144 -0.4951
+1 145 -0.0158
+1 146 -0.0392
+1 147 -0.0310
+1 148 0.1642
+1 149 -0.1835
+1 150 -0.1955
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+1 153 -0.4597
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+1 156 -0.1948
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+1 159 -0.4811
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+1 168 -0.0108
+1 169 -0.0011
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+1 241 -0.0166
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+1 250 -0.4800
+1 251 -0.0307
+1 252 -0.0281
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+1 254 -0.2009
+1 255 0.1614
+1 256 0.5223
+1 257 -0.4628
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+1 260 -0.2009
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+1 268 -0.2080
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+1 287 -0.0292
+1 288 -0.1958
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+1 291 -0.4751
+1 292 -0.0419
+1 293 0.7421
+1 294 -0.4182
+1 295 -0.2260
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+1 301 -0.0307
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+1 304 -0.2010
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+1 308 -0.0331
+1 309 -0.0326
+1 310 -0.0366
+1 311 -0.0384
+1 312 -0.1991
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+1 329 -0.2074
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+1 366 -0.2040
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+1 369 -0.4764
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+1 371 -0.2048
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diff --git a/package-lock.json b/package-lock.json
index eedcc88c40e16dc086501d92eadc426c24cd01db..f7881ac23d0b275fb563287df2009a9b76f9162e 100644
Binary files a/package-lock.json and b/package-lock.json differ
diff --git a/package.json b/package.json
index 0dcdb4a4ee9f422bc1e1f42efcce302554ba91e9..a037a807eb6080ccf63e0d562cdd8fde9a21e416 100644
--- a/package.json
+++ b/package.json
@@ -1,6 +1,6 @@
{
"name": "molstar",
- "version": "3.33.0",
+ "version": "3.34.0",
"description": "A comprehensive macromolecular library.",
"homepage": "https://github.com/molstar/molstar#readme",
"repository": {
@@ -97,32 +97,34 @@
"Jason Pattle <jpattle@exscientia.co.uk>",
"David Williams <dwilliams@nobiastx.com>",
"Zhenyu Zhang <jump2cn@gmail.com>",
- "Russell Parker <russell@benchling.com>"
+ "Russell Parker <russell@benchling.com>",
+ "Dominik Tichy <tichydominik451@gmail.com>",
+ "Yana Rose <yana.v.rose@gmail.com>"
],
"license": "MIT",
"devDependencies": {
"@graphql-codegen/add": "^4.0.1",
- "@graphql-codegen/cli": "^3.2.2",
+ "@graphql-codegen/cli": "^3.3.0",
"@graphql-codegen/time": "^4.0.0",
- "@graphql-codegen/typescript": "^3.0.2",
+ "@graphql-codegen/typescript": "^3.0.3",
"@graphql-codegen/typescript-graphql-files-modules": "^2.2.1",
"@graphql-codegen/typescript-graphql-request": "^4.5.9",
- "@graphql-codegen/typescript-operations": "^3.0.2",
+ "@graphql-codegen/typescript-operations": "^3.0.3",
"@types/cors": "^2.8.13",
"@types/gl": "^6.0.2",
"@types/jpeg-js": "^0.3.7",
"@types/pngjs": "^6.0.1",
"@types/jest": "^29.5.0",
- "@types/react": "^18.0.32",
+ "@types/react": "^18.0.35",
"@types/react-dom": "^18.0.11",
- "@typescript-eslint/eslint-plugin": "^5.57.0",
- "@typescript-eslint/parser": "^5.57.0",
+ "@typescript-eslint/eslint-plugin": "^5.58.0",
+ "@typescript-eslint/parser": "^5.58.0",
"benchmark": "^2.1.4",
"concurrently": "^8.0.1",
- "cpx2": "^4.2.2",
+ "cpx2": "^4.2.3",
"crypto-browserify": "^3.12.0",
"css-loader": "^6.7.3",
- "eslint": "^8.37.0",
+ "eslint": "^8.38.0",
"extra-watch-webpack-plugin": "^1.0.3",
"file-loader": "^6.2.0",
"fs-extra": "^11.1.1",
@@ -134,14 +136,14 @@
"raw-loader": "^4.0.2",
"react": "^18.2.0",
"react-dom": "^18.2.0",
- "sass": "^1.60.0",
+ "sass": "^1.62.0",
"sass-loader": "^13.2.2",
"simple-git": "^3.17.0",
"stream-browserify": "^3.0.0",
"style-loader": "^3.3.2",
"ts-jest": "^29.1.0",
- "typescript": "^5.0.3",
- "webpack": "^5.77.0",
+ "typescript": "^5.0.4",
+ "webpack": "^5.79.0",
"webpack-cli": "^5.0.1"
},
"dependencies": {
diff --git a/scripts/deploy.js b/scripts/deploy.js
index 2ed85d8d17e9c0c775055648bf87289157f3e657..29c60029fda2660e34c1c88d859d1865477790e4 100644
--- a/scripts/deploy.js
+++ b/scripts/deploy.js
@@ -15,7 +15,7 @@ const deployDir = path.resolve(buildDir, 'deploy/');
const localPath = path.resolve(deployDir, 'molstar.github.io/');
const analyticsTag = /<!-- __MOLSTAR_ANALYTICS__ -->/g;
-const analyticsCode = `<!-- Cloudflare Web Analytics --><script defer src='https://static.cloudflareinsights.com/beacon.min.js' data-cf-beacon='{"token": "c414cbae2d284ea995171a81e4a3e721"}'></script><!-- End Cloudflare Web Analytics --><script defer src="https://web3dsurvey.com/collector.js"></script>`;
+const analyticsCode = `<!-- Cloudflare Web Analytics --><script defer src='https://static.cloudflareinsights.com/beacon.min.js' data-cf-beacon='{"token": "c414cbae2d284ea995171a81e4a3e721"}'></script><!-- End Cloudflare Web Analytics --><iframe src="https://web3dsurvey.com/collector-iframe.html" style="width: 1px; height: 1px;"></iframe>`;
function log(command, stdout, stderr) {
if (command) {
diff --git a/src/apps/viewer/app.ts b/src/apps/viewer/app.ts
index 47656082c51992aae0c97b9db91f9aa5ff32e1a3..ab06cd123a579f7cd3dce91871ae065745a2ab3c 100644
--- a/src/apps/viewer/app.ts
+++ b/src/apps/viewer/app.ts
@@ -48,6 +48,8 @@ import '../../mol-util/polyfill';
import { ObjectKeys } from '../../mol-util/type-helpers';
import { SaccharideCompIdMapType } from '../../mol-model/structure/structure/carbohydrates/constants';
import { Backgrounds } from '../../extensions/backgrounds';
+import { SbNcbrPartialCharges, SbNcbrPartialChargesPreset, SbNcbrPartialChargesPropertyProvider } from '../../extensions/sb-ncbr';
+import { wwPDBStructConnExtensionFunctions } from '../../extensions/wwpdb/struct-conn';
export { PLUGIN_VERSION as version } from '../../mol-plugin/version';
export { setDebugMode, setProductionMode, setTimingMode, consoleStats } from '../../mol-util/debug';
@@ -71,6 +73,7 @@ const Extensions = {
'geo-export': PluginSpec.Behavior(GeometryExport),
'ma-quality-assessment': PluginSpec.Behavior(MAQualityAssessment),
'zenodo-import': PluginSpec.Behavior(ZenodoImport),
+ 'sb-ncbr-partial-charges': PluginSpec.Behavior(SbNcbrPartialCharges),
};
const DefaultViewerOptions = {
@@ -503,8 +506,14 @@ export const ViewerAutoPreset = StructureRepresentationPresetProvider({
return await QualityAssessmentPLDDTPreset.apply(ref, params, plugin);
} else if (!!structure.models.some(m => QualityAssessment.isApplicable(m, 'qmean'))) {
return await QualityAssessmentQmeanPreset.apply(ref, params, plugin);
+ } else if (!!structure.models.some(m => SbNcbrPartialChargesPropertyProvider.isApplicable(m))) {
+ return await SbNcbrPartialChargesPreset.apply(ref, params, plugin);
} else {
return await PresetStructureRepresentations.auto.apply(ref, params, plugin);
}
}
});
+
+export const PluginExtensions = {
+ wwPDBStructConn: wwPDBStructConnExtensionFunctions,
+};
diff --git a/src/extensions/dnatco/ntc-tube/color.ts b/src/extensions/dnatco/ntc-tube/color.ts
index 412069d8f8242fbca3a061a69cb3e9205cf7e2c6..284caabe1cae9de729437cde05d84114d2464f57 100644
--- a/src/extensions/dnatco/ntc-tube/color.ts
+++ b/src/extensions/dnatco/ntc-tube/color.ts
@@ -31,7 +31,8 @@ type NtCTubeColors = typeof NtCTubeColors;
export const NtCTubeColorThemeParams = {
colors: PD.MappedStatic('default', {
'default': PD.EmptyGroup(),
- 'custom': PD.Group(getColorMapParams(NtCTubeColors))
+ 'custom': PD.Group(getColorMapParams(NtCTubeColors)),
+ 'uniform': PD.Color(Color(0xEEEEEE)),
}),
markResidueBoundaries: PD.Boolean(true),
markSegmentBoundaries: PD.Boolean(true),
@@ -43,7 +44,15 @@ export function getNtCTubeColorThemeParams(ctx: ThemeDataContext) {
}
export function NtCTubeColorTheme(ctx: ThemeDataContext, props: PD.Values<NtCTubeColorThemeParams>): ColorTheme<NtCTubeColorThemeParams> {
- const colorMap = props.colors.name === 'default' ? NtCTubeColors : props.colors.params;
+ const colorMap = props.colors.name === 'default'
+ ? NtCTubeColors
+ : props.colors.name === 'custom'
+ ? props.colors.params
+ : ColorMap({
+ ...Object.fromEntries(ObjectKeys(NtCTubeColors).map(item => [item, props.colors.params])),
+ residueMarker: NtCTubeColors.residueMarker,
+ stepBoundaryMarker: NtCTubeColors.stepBoundaryMarker
+ }) as NtCTubeColors;
function color(location: Location, isSecondary: boolean): Color {
if (NTT.isLocation(location)) {
diff --git a/src/extensions/dnatco/ntc-tube/util.ts b/src/extensions/dnatco/ntc-tube/util.ts
index 36f436358cd5eaa059010413efa2dc22a3ed72ca..ed725c974aaaf57147e2247dc85424e129b273c2 100644
--- a/src/extensions/dnatco/ntc-tube/util.ts
+++ b/src/extensions/dnatco/ntc-tube/util.ts
@@ -14,11 +14,12 @@ import { ChainIndex, ElementIndex, ResidueIndex, Structure, StructureElement, Un
function getAtomPosition(vec: Vec3, loc: StructureElement.Location, residue: DnatcoUtil.Residue, names: string[], altId: string, insCode: string) {
const eI = DnatcoUtil.getAtomIndex(loc, residue, names, altId, insCode);
- if (eI !== -1)
+ if (eI !== -1) {
loc.unit.conformation.invariantPosition(eI, vec);
- else {
- vec[0] = 0; vec[1] = 0; vec[2] = 0;
+ return true;
}
+
+ return false; // Atom not found
}
const p_1 = Vec3();
@@ -29,19 +30,38 @@ const p3 = Vec3();
const p4 = Vec3();
const pP = Vec3();
+const C5PrimeNames = ['C5\'', 'C5*'];
+const O3PrimeNames = ['O3\'', 'O3*'];
+const O5PrimeNames = ['O5\'', 'O5*'];
+const PNames = ['P'];
+
function getPoints(
loc: StructureElement.Location,
r0: DnatcoUtil.Residue | undefined, r1: DnatcoUtil.Residue, r2: DnatcoUtil.Residue,
altId0: string, altId1: string, altId2: string,
insCode0: string, insCode1: string, insCode2: string,
) {
- if (r0) getAtomPosition(p_1, loc, r0, ['C5\'', 'C5*'], altId0, insCode0);
- r0 ? getAtomPosition(p0, loc, r0, ['O3\'', 'O3*'], altId0, insCode0) : getAtomPosition(p0, loc, r1, ['O5\'', 'O5*'], altId1, insCode1);
- getAtomPosition(p1, loc, r1, ['C5\'', 'C5*'], altId1, insCode1);
- getAtomPosition(p2, loc, r1, ['O3\'', 'O3*'], altId1, insCode1);
- getAtomPosition(p3, loc, r2, ['C5\'', 'C5*'], altId2, insCode2);
- getAtomPosition(p4, loc, r2, ['O3\'', 'O3*'], altId2, insCode2);
- getAtomPosition(pP, loc, r2, ['P'], altId2, insCode2);
+ if (r0) {
+ if (!getAtomPosition(p_1, loc, r0, C5PrimeNames, altId0, insCode0))
+ return void 0;
+ if (!getAtomPosition(p0, loc, r0, O3PrimeNames, altId0, insCode0))
+ return void 0;
+ } else {
+ if (!getAtomPosition(p0, loc, r1, O5PrimeNames, altId1, insCode1))
+ return void 0;
+ }
+
+ if (!getAtomPosition(p1, loc, r1, C5PrimeNames, altId1, insCode1))
+ return void 0;
+ if (!getAtomPosition(p2, loc, r1, O3PrimeNames, altId1, insCode1))
+ return void 0;
+
+ if (!getAtomPosition(p3, loc, r2, C5PrimeNames, altId2, insCode2))
+ return void 0;
+ if (!getAtomPosition(p4, loc, r2, O3PrimeNames, altId2, insCode2))
+ return void 0;
+ if (!getAtomPosition(pP, loc, r2, PNames, altId2, insCode2))
+ return void 0;
return { p_1, p0, p1, p2, p3, p4, pP };
}
@@ -142,9 +162,12 @@ export class NtCTubeSegmentsIterator {
const insCodeTwo = step.PDB_ins_code_2;
const followsGap = !!r0 && hasGapElements(r0, this.loc.unit) && hasGapElements(r1, this.loc.unit);
const precedesDiscontinuity = r3 ? r3.index !== r2.index + 1 : false;
+ const points = getPoints(this.loc, r0, r1, r2, altIdPrev, this.altIdOne, altIdTwo, insCodePrev, this.insCodeOne, insCodeTwo);
+ if (!points)
+ return void 0;
return {
- ...getPoints(this.loc, r0, r1, r2, altIdPrev, this.altIdOne, altIdTwo, insCodePrev, this.insCodeOne, insCodeTwo),
+ ...points,
stepIdx,
followsGap,
firstInChain: !r0,
diff --git a/src/extensions/geo-export/glb-exporter.ts b/src/extensions/geo-export/glb-exporter.ts
index 38734833e217bd0821d01f898ada230b669e131f..6e3c69fe81988e910025d2ef9fcf960516ab4030 100644
--- a/src/extensions/geo-export/glb-exporter.ts
+++ b/src/extensions/geo-export/glb-exporter.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2021-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Sukolsak Sakshuwong <sukolsak@stanford.edu>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -13,7 +13,7 @@ import { PLUGIN_VERSION } from '../../mol-plugin/version';
import { RuntimeContext } from '../../mol-task';
import { Color } from '../../mol-util/color/color';
import { fillSerial } from '../../mol-util/array';
-import { NumberArray } from '../../mol-util/type-helpers';
+import { NumberArray, assertUnreachable } from '../../mol-util/type-helpers';
import { MeshExporter, AddMeshInput, MeshGeoData } from './mesh-exporter';
// avoiding namespace lookup improved performance in Chrome (Aug 2020)
@@ -35,6 +35,15 @@ const BIN_CHUNK_TYPE = 0x004E4942;
const JSON_PAD_CHAR = 0x20;
const BIN_PAD_CHAR = 0x00;
+function getPrimitiveMode(mode: 'points' | 'lines' | 'triangles'): number {
+ switch (mode) {
+ case 'points': return 0;
+ case 'lines': return 1;
+ case 'triangles': return 4;
+ default: assertUnreachable(mode);
+ }
+}
+
export type GlbData = {
glb: Uint8Array
}
@@ -89,12 +98,12 @@ export class GlbExporter extends MeshExporter<GlbData> {
return accessorOffset;
}
- private addGeometryBuffers(vertices: Float32Array, normals: Float32Array, indices: Uint32Array | undefined, vertexCount: number, drawCount: number, isGeoTexture: boolean) {
+ private addGeometryBuffers(vertices: Float32Array, normals: Float32Array | undefined, indices: Uint32Array | undefined, vertexCount: number, drawCount: number, isGeoTexture: boolean) {
const tmpV = Vec3();
const stride = isGeoTexture ? 4 : 3;
const vertexArray = new Float32Array(vertexCount * 3);
- const normalArray = new Float32Array(vertexCount * 3);
+ let normalArray: Float32Array | undefined;
let indexArray: Uint32Array | undefined;
// position
@@ -104,32 +113,35 @@ export class GlbExporter extends MeshExporter<GlbData> {
}
// normal
- for (let i = 0; i < vertexCount; ++i) {
- v3fromArray(tmpV, normals, i * stride);
- v3normalize(tmpV, tmpV);
- v3toArray(tmpV, normalArray, i * 3);
+ if (normals) {
+ normalArray = new Float32Array(vertexCount * 3);
+ for (let i = 0; i < vertexCount; ++i) {
+ v3fromArray(tmpV, normals, i * stride);
+ v3normalize(tmpV, tmpV);
+ v3toArray(tmpV, normalArray, i * 3);
+ }
}
// face
- if (!isGeoTexture) {
- indexArray = indices!.slice(0, drawCount);
+ if (!isGeoTexture && indices) {
+ indexArray = indices.slice(0, drawCount);
}
const [vertexMin, vertexMax] = GlbExporter.vec3MinMax(vertexArray);
let vertexBuffer = vertexArray.buffer;
- let normalBuffer = normalArray.buffer;
- let indexBuffer = isGeoTexture ? undefined : indexArray!.buffer;
+ let normalBuffer = normalArray?.buffer;
+ let indexBuffer = (isGeoTexture || !indexArray) ? undefined : indexArray.buffer;
if (!IsNativeEndianLittle) {
vertexBuffer = flipByteOrder(new Uint8Array(vertexBuffer), 4);
- normalBuffer = flipByteOrder(new Uint8Array(normalBuffer), 4);
+ if (normalBuffer) normalBuffer = flipByteOrder(new Uint8Array(normalBuffer), 4);
if (!isGeoTexture) indexBuffer = flipByteOrder(new Uint8Array(indexBuffer!), 4);
}
return {
vertexAccessorIndex: this.addBuffer(vertexBuffer, FLOAT, 'VEC3', vertexCount, ARRAY_BUFFER, vertexMin, vertexMax),
- normalAccessorIndex: this.addBuffer(normalBuffer, FLOAT, 'VEC3', vertexCount, ARRAY_BUFFER),
- indexAccessorIndex: isGeoTexture ? undefined : this.addBuffer(indexBuffer!, UNSIGNED_INT, 'SCALAR', drawCount, ELEMENT_ARRAY_BUFFER)
+ normalAccessorIndex: normalBuffer ? this.addBuffer(normalBuffer, FLOAT, 'VEC3', vertexCount, ARRAY_BUFFER) : undefined,
+ indexAccessorIndex: (isGeoTexture || !indexBuffer) ? undefined : this.addBuffer(indexBuffer, UNSIGNED_INT, 'SCALAR', drawCount, ELEMENT_ARRAY_BUFFER)
};
}
@@ -174,7 +186,7 @@ export class GlbExporter extends MeshExporter<GlbData> {
}
protected async addMeshWithColors(input: AddMeshInput) {
- const { mesh, values, isGeoTexture, webgl, ctx } = input;
+ const { mesh, values, isGeoTexture, mode, webgl, ctx } = input;
const t = Mat4();
@@ -190,28 +202,28 @@ export class GlbExporter extends MeshExporter<GlbData> {
const material = this.addMaterial(metalness, roughness);
let interpolatedColors: Uint8Array | undefined;
- if (colorType === 'volume' || colorType === 'volumeInstance') {
+ if (webgl && mesh && (colorType === 'volume' || colorType === 'volumeInstance')) {
const stride = isGeoTexture ? 4 : 3;
- interpolatedColors = GlbExporter.getInterpolatedColors(webgl!, { vertices: mesh!.vertices, vertexCount: mesh!.vertexCount, values, stride, colorType });
+ interpolatedColors = GlbExporter.getInterpolatedColors(webgl, { vertices: mesh.vertices, vertexCount: mesh.vertexCount, values, stride, colorType });
}
let interpolatedOverpaint: Uint8Array | undefined;
- if (overpaintType === 'volumeInstance') {
+ if (webgl && mesh && overpaintType === 'volumeInstance') {
const stride = isGeoTexture ? 4 : 3;
- interpolatedOverpaint = GlbExporter.getInterpolatedOverpaint(webgl!, { vertices: mesh!.vertices, vertexCount: mesh!.vertexCount, values, stride, colorType: overpaintType });
+ interpolatedOverpaint = GlbExporter.getInterpolatedOverpaint(webgl, { vertices: mesh.vertices, vertexCount: mesh.vertexCount, values, stride, colorType: overpaintType });
}
let interpolatedTransparency: Uint8Array | undefined;
- if (transparencyType === 'volumeInstance') {
+ if (webgl && mesh && transparencyType === 'volumeInstance') {
const stride = isGeoTexture ? 4 : 3;
- interpolatedTransparency = GlbExporter.getInterpolatedTransparency(webgl!, { vertices: mesh!.vertices, vertexCount: mesh!.vertexCount, values, stride, colorType: transparencyType });
+ interpolatedTransparency = GlbExporter.getInterpolatedTransparency(webgl, { vertices: mesh.vertices, vertexCount: mesh.vertexCount, values, stride, colorType: transparencyType });
}
// instancing
const sameGeometryBuffers = mesh !== undefined;
const sameColorBuffer = sameGeometryBuffers && colorType !== 'instance' && !colorType.endsWith('Instance') && !dTransparency;
let vertexAccessorIndex: number;
- let normalAccessorIndex: number;
+ let normalAccessorIndex: number | undefined;
let indexAccessorIndex: number | undefined;
let colorAccessorIndex: number;
let meshIndex: number;
@@ -235,7 +247,7 @@ export class GlbExporter extends MeshExporter<GlbData> {
// create a color buffer if needed
if (instanceIndex === 0 || !sameColorBuffer) {
- colorAccessorIndex = this.addColorBuffer({ values, groups, vertexCount, instanceIndex, isGeoTexture }, interpolatedColors, interpolatedOverpaint, interpolatedTransparency);
+ colorAccessorIndex = this.addColorBuffer({ values, groups, vertexCount, instanceIndex, isGeoTexture, mode }, interpolatedColors, interpolatedOverpaint, interpolatedTransparency);
}
// glTF mesh
@@ -248,7 +260,8 @@ export class GlbExporter extends MeshExporter<GlbData> {
COLOR_0: colorAccessorIndex!
},
indices: indexAccessorIndex,
- material
+ material,
+ mode: getPrimitiveMode(mode),
}]
});
}
diff --git a/src/extensions/geo-export/mesh-exporter.ts b/src/extensions/geo-export/mesh-exporter.ts
index 2bcd32ffa9c0396b8f4680e9ce034821d15858a7..9bd034d96c1f22fde455ab3cff14cb08cdaff9dc 100644
--- a/src/extensions/geo-export/mesh-exporter.ts
+++ b/src/extensions/geo-export/mesh-exporter.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2021-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Sukolsak Sakshuwong <sukolsak@stanford.edu>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -28,16 +28,19 @@ import { Color } from '../../mol-util/color/color';
import { unpackRGBToInt } from '../../mol-util/number-packing';
import { RenderObjectExporter, RenderObjectExportData } from './render-object-exporter';
import { readAlphaTexture, readTexture } from '../../mol-gl/compute/util';
+import { assertUnreachable } from '../../mol-util/type-helpers';
const GeoExportName = 'geo-export';
// avoiding namespace lookup improved performance in Chrome (Aug 2020)
const v3fromArray = Vec3.fromArray;
+type MeshMode = 'points' | 'lines' | 'triangles'
+
export interface AddMeshInput {
mesh: {
vertices: Float32Array
- normals: Float32Array
+ normals: Float32Array | undefined
indices: Uint32Array | undefined
groups: Float32Array | Uint8Array
vertexCount: number
@@ -46,6 +49,7 @@ export interface AddMeshInput {
meshes: Mesh[] | undefined
values: BaseValues
isGeoTexture: boolean
+ mode: MeshMode
webgl: WebGLContext | undefined
ctx: RuntimeContext
}
@@ -55,7 +59,8 @@ export type MeshGeoData = {
groups: Float32Array | Uint8Array,
vertexCount: number,
instanceIndex: number,
- isGeoTexture: boolean
+ isGeoTexture: boolean,
+ mode: MeshMode
}
export abstract class MeshExporter<D extends RenderObjectExportData> implements RenderObjectExporter<D> {
@@ -222,7 +227,7 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
}
protected static getColor(vertexIndex: number, geoData: MeshGeoData, interpolatedColors?: Uint8Array, interpolatedOverpaint?: Uint8Array): Color {
- const { values, instanceIndex, isGeoTexture, groups, vertexCount } = geoData;
+ const { values, instanceIndex, isGeoTexture, mode, groups } = geoData;
const groupCount = values.uGroupCount.ref.value;
const colorType = values.dColorType.ref.value;
const uColor = values.uColor.ref.value;
@@ -231,6 +236,12 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
const dOverpaint = values.dOverpaint.ref.value;
const tOverpaint = values.tOverpaint.ref.value.array;
+ let vertexCount = geoData.vertexCount;
+ if (mode === 'lines') {
+ vertexIndex *= 2;
+ vertexCount *= 2;
+ }
+
let color: Color;
switch (colorType) {
case 'uniform':
@@ -298,12 +309,18 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
}
protected static getTransparency(vertexIndex: number, geoData: MeshGeoData, interpolatedTransparency?: Uint8Array): number {
- const { values, instanceIndex, isGeoTexture, groups, vertexCount } = geoData;
+ const { values, instanceIndex, isGeoTexture, mode, groups } = geoData;
const groupCount = values.uGroupCount.ref.value;
const dTransparency = values.dTransparency.ref.value;
const tTransparency = values.tTransparency.ref.value.array;
const transparencyType = values.dTransparencyType.ref.value;
+ let vertexCount = geoData.vertexCount;
+ if (mode === 'lines') {
+ vertexIndex *= 2;
+ vertexCount *= 2;
+ }
+
let transparency: number = 0;
if (dTransparency) {
switch (transparencyType) {
@@ -329,7 +346,7 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
return transparency;
}
- protected abstract addMeshWithColors(input: AddMeshInput): void;
+ protected abstract addMeshWithColors(input: AddMeshInput): Promise<void>;
private async addMesh(values: MeshValues, webgl: WebGLContext, ctx: RuntimeContext) {
const aPosition = values.aPosition.ref.value;
@@ -349,15 +366,96 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
drawCount = values.drawCount.ref.value;
}
- await this.addMeshWithColors({ mesh: { vertices: aPosition, normals: aNormal, indices, groups: aGroup, vertexCount, drawCount }, meshes: undefined, values, isGeoTexture: false, webgl, ctx });
+ await this.addMeshWithColors({ mesh: { vertices: aPosition, normals: aNormal, indices, groups: aGroup, vertexCount, drawCount }, meshes: undefined, values, isGeoTexture: false, mode: 'triangles', webgl, ctx });
}
private async addLines(values: LinesValues, webgl: WebGLContext, ctx: RuntimeContext) {
- // TODO
+ const aStart = values.aStart.ref.value;
+ const aEnd = values.aEnd.ref.value;
+ const aGroup = values.aGroup.ref.value;
+ const vertexCount = (values.uVertexCount.ref.value / 4) * 2;
+ const drawCount = values.drawCount.ref.value / (2 * 3);
+
+ if (this.options.linesAsTriangles) {
+ const start = Vec3();
+ const end = Vec3();
+
+ const instanceCount = values.instanceCount.ref.value;
+ const meshes: Mesh[] = [];
+
+ const radialSegments = 6;
+ const topCap = true;
+ const bottomCap = true;
+
+ for (let instanceIndex = 0; instanceIndex < instanceCount; ++instanceIndex) {
+ const state = MeshBuilder.createState(512, 256);
+
+ for (let i = 0, il = vertexCount * 2; i < il; i += 4) {
+ v3fromArray(start, aStart, i * 3);
+ v3fromArray(end, aEnd, i * 3);
+
+ const group = aGroup[i];
+ const radius = MeshExporter.getSize(values, instanceIndex, group) * 0.03;
+
+ const cylinderProps = { radiusTop: radius, radiusBottom: radius, topCap, bottomCap, radialSegments };
+ state.currentGroup = aGroup[i];
+ addCylinder(state, start, end, 1, cylinderProps);
+ }
+
+ meshes.push(MeshBuilder.getMesh(state));
+ }
+
+ await this.addMeshWithColors({ mesh: undefined, meshes, values, isGeoTexture: false, mode: 'triangles', webgl, ctx });
+ } else {
+ const n = vertexCount / 2;
+ const vertices = new Float32Array(n * 2 * 3);
+ for (let i = 0; i < n; ++i) {
+ vertices[i * 6] = aStart[i * 4 * 3];
+ vertices[i * 6 + 1] = aStart[i * 4 * 3 + 1];
+ vertices[i * 6 + 2] = aStart[i * 4 * 3 + 2];
+
+ vertices[i * 6 + 3] = aEnd[i * 4 * 3];
+ vertices[i * 6 + 4] = aEnd[i * 4 * 3 + 1];
+ vertices[i * 6 + 5] = aEnd[i * 4 * 3 + 2];
+ }
+
+ await this.addMeshWithColors({ mesh: { vertices, normals: undefined, indices: undefined, groups: aGroup, vertexCount, drawCount }, meshes: undefined, values, isGeoTexture: false, mode: 'lines', webgl, ctx });
+ }
}
private async addPoints(values: PointsValues, webgl: WebGLContext, ctx: RuntimeContext) {
- // TODO
+ const aPosition = values.aPosition.ref.value;
+ const aGroup = values.aGroup.ref.value;
+ const vertexCount = values.uVertexCount.ref.value;
+ const drawCount = values.drawCount.ref.value;
+
+ if (this.options.pointsAsTriangles) {
+ const center = Vec3();
+
+ const instanceCount = values.instanceCount.ref.value;
+ const meshes: Mesh[] = [];
+
+ const detail = 0;
+
+ for (let instanceIndex = 0; instanceIndex < instanceCount; ++instanceIndex) {
+ const state = MeshBuilder.createState(512, 256);
+
+ for (let i = 0; i < vertexCount; ++i) {
+ v3fromArray(center, aPosition, i * 3);
+
+ const group = aGroup[i];
+ const radius = MeshExporter.getSize(values, instanceIndex, group) * 0.03;
+ state.currentGroup = group;
+ addSphere(state, center, radius, detail);
+ }
+
+ meshes.push(MeshBuilder.getMesh(state));
+ }
+
+ await this.addMeshWithColors({ mesh: undefined, meshes, values, isGeoTexture: false, mode: 'triangles', webgl, ctx });
+ } else {
+ await this.addMeshWithColors({ mesh: { vertices: aPosition, normals: undefined, indices: undefined, groups: aGroup, vertexCount, drawCount }, meshes: undefined, values, isGeoTexture: false, mode: 'points', webgl, ctx });
+ }
}
private async addSpheres(values: SpheresValues, webgl: WebGLContext, ctx: RuntimeContext) {
@@ -371,9 +469,24 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
const sphereCount = vertexCount / 4 * instanceCount;
let detail: number;
- if (sphereCount < 2000) detail = 3;
- else if (sphereCount < 20000) detail = 2;
- else detail = 1;
+ switch (this.options.primitivesQuality) {
+ case 'auto':
+ if (sphereCount < 2000) detail = 3;
+ else if (sphereCount < 20000) detail = 2;
+ else detail = 1;
+ break;
+ case 'high':
+ detail = 3;
+ break;
+ case 'medium':
+ detail = 2;
+ break;
+ case 'low':
+ detail = 1;
+ break;
+ default:
+ assertUnreachable(this.options.primitivesQuality);
+ }
for (let instanceIndex = 0; instanceIndex < instanceCount; ++instanceIndex) {
const state = MeshBuilder.createState(512, 256);
@@ -390,7 +503,7 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
meshes.push(MeshBuilder.getMesh(state));
}
- await this.addMeshWithColors({ mesh: undefined, meshes, values, isGeoTexture: false, webgl, ctx });
+ await this.addMeshWithColors({ mesh: undefined, meshes, values, isGeoTexture: false, mode: 'triangles', webgl, ctx });
}
private async addCylinders(values: CylindersValues, webgl: WebGLContext, ctx: RuntimeContext) {
@@ -408,9 +521,24 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
const cylinderCount = vertexCount / 6 * instanceCount;
let radialSegments: number;
- if (cylinderCount < 2000) radialSegments = 36;
- else if (cylinderCount < 20000) radialSegments = 24;
- else radialSegments = 12;
+ switch (this.options.primitivesQuality) {
+ case 'auto':
+ if (cylinderCount < 2000) radialSegments = 36;
+ else if (cylinderCount < 20000) radialSegments = 24;
+ else radialSegments = 12;
+ break;
+ case 'high':
+ radialSegments = 36;
+ break;
+ case 'medium':
+ radialSegments = 24;
+ break;
+ case 'low':
+ radialSegments = 12;
+ break;
+ default:
+ assertUnreachable(this.options.primitivesQuality);
+ }
for (let instanceIndex = 0; instanceIndex < instanceCount; ++instanceIndex) {
const state = MeshBuilder.createState(512, 256);
@@ -424,7 +552,7 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
const cap = aCap[i];
const topCap = cap === 1 || cap === 3;
const bottomCap = cap >= 2;
- const cylinderProps = { radiusTop: radius, radiusBottom: radius, topCap, bottomCap, radialSegments };
+ const cylinderProps = { radiusTop: radius, radiusBottom: radius, topCap, bottomCap, radialSegments };
state.currentGroup = aGroup[i];
addCylinder(state, start, end, 1, cylinderProps);
}
@@ -432,7 +560,7 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
meshes.push(MeshBuilder.getMesh(state));
}
- await this.addMeshWithColors({ mesh: undefined, meshes, values, isGeoTexture: false, webgl, ctx });
+ await this.addMeshWithColors({ mesh: undefined, meshes, values, isGeoTexture: false, mode: 'triangles', webgl, ctx });
}
private async addTextureMesh(values: TextureMeshValues, webgl: WebGLContext, ctx: RuntimeContext) {
@@ -457,11 +585,13 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
const vertexCount = values.uVertexCount.ref.value;
const drawCount = values.drawCount.ref.value;
- await this.addMeshWithColors({ mesh: { vertices, normals, indices: undefined, groups, vertexCount, drawCount }, meshes: undefined, values, isGeoTexture: true, webgl, ctx });
+ await this.addMeshWithColors({ mesh: { vertices, normals, indices: undefined, groups, vertexCount, drawCount }, meshes: undefined, values, isGeoTexture: true, mode: 'triangles', webgl, ctx });
}
add(renderObject: GraphicsRenderObject, webgl: WebGLContext, ctx: RuntimeContext) {
- if (!renderObject.state.visible) return;
+ if (!renderObject.state.visible && !this.options.includeHidden) return;
+ if (renderObject.values.drawCount.ref.value === 0) return;
+ if (renderObject.values.instanceCount.ref.value === 0) return;
switch (renderObject.type) {
case 'mesh':
@@ -479,6 +609,13 @@ export abstract class MeshExporter<D extends RenderObjectExportData> implements
}
}
+ protected options = {
+ includeHidden: false,
+ linesAsTriangles: false,
+ pointsAsTriangles: false,
+ primitivesQuality: 'auto' as 'auto' | 'high' | 'medium' | 'low',
+ };
+
abstract getData(ctx: RuntimeContext): Promise<D>;
abstract getBlob(ctx: RuntimeContext): Promise<Blob>;
diff --git a/src/extensions/geo-export/obj-exporter.ts b/src/extensions/geo-export/obj-exporter.ts
index 63f13a252e9bc5c39239e2a3e7d6cfdda3ea946d..7d829192f51b73ee1eb16ca5316d9bac5ca7411c 100644
--- a/src/extensions/geo-export/obj-exporter.ts
+++ b/src/extensions/geo-export/obj-exporter.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2021-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Sukolsak Sakshuwong <sukolsak@stanford.edu>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -70,7 +70,8 @@ export class ObjExporter extends MeshExporter<ObjData> {
}
protected async addMeshWithColors(input: AddMeshInput) {
- const { mesh, values, isGeoTexture, webgl, ctx } = input;
+ const { mesh, values, isGeoTexture, mode, webgl, ctx } = input;
+ if (mode !== 'triangles') return;
const obj = this.obj;
const t = Mat4();
@@ -86,19 +87,19 @@ export class ObjExporter extends MeshExporter<ObjData> {
const instanceCount = values.uInstanceCount.ref.value;
let interpolatedColors: Uint8Array | undefined;
- if (colorType === 'volume' || colorType === 'volumeInstance') {
- interpolatedColors = ObjExporter.getInterpolatedColors(webgl!, { vertices: mesh!.vertices, vertexCount: mesh!.vertexCount, values, stride, colorType });
+ if (webgl && mesh && (colorType === 'volume' || colorType === 'volumeInstance')) {
+ interpolatedColors = ObjExporter.getInterpolatedColors(webgl, { vertices: mesh.vertices, vertexCount: mesh.vertexCount, values, stride, colorType });
}
let interpolatedOverpaint: Uint8Array | undefined;
- if (overpaintType === 'volumeInstance') {
- interpolatedOverpaint = ObjExporter.getInterpolatedOverpaint(webgl!, { vertices: mesh!.vertices, vertexCount: mesh!.vertexCount, values, stride, colorType: overpaintType });
+ if (webgl && mesh && overpaintType === 'volumeInstance') {
+ interpolatedOverpaint = ObjExporter.getInterpolatedOverpaint(webgl, { vertices: mesh.vertices, vertexCount: mesh.vertexCount, values, stride, colorType: overpaintType });
}
let interpolatedTransparency: Uint8Array | undefined;
- if (transparencyType === 'volumeInstance') {
+ if (webgl && mesh && transparencyType === 'volumeInstance') {
const stride = isGeoTexture ? 4 : 3;
- interpolatedTransparency = ObjExporter.getInterpolatedTransparency(webgl!, { vertices: mesh!.vertices, vertexCount: mesh!.vertexCount, values, stride, colorType: transparencyType });
+ interpolatedTransparency = ObjExporter.getInterpolatedTransparency(webgl, { vertices: mesh.vertices, vertexCount: mesh.vertexCount, values, stride, colorType: transparencyType });
}
await ctx.update({ isIndeterminate: false, current: 0, max: instanceCount });
@@ -126,7 +127,7 @@ export class ObjExporter extends MeshExporter<ObjData> {
// normal
for (let i = 0; i < vertexCount; ++i) {
- v3transformMat3(tmpV, v3fromArray(tmpV, normals, i * stride), n);
+ v3transformMat3(tmpV, v3fromArray(tmpV, normals!, i * stride), n);
StringBuilder.writeSafe(obj, 'vn ');
StringBuilder.writeFloat(obj, tmpV[0], 100);
StringBuilder.whitespace1(obj);
@@ -136,7 +137,7 @@ export class ObjExporter extends MeshExporter<ObjData> {
StringBuilder.newline(obj);
}
- const geoData = { values, groups, vertexCount, instanceIndex, isGeoTexture };
+ const geoData = { values, groups, vertexCount, instanceIndex, isGeoTexture, mode };
// color
const quantizedColors = new Uint8Array(drawCount * 3);
diff --git a/src/extensions/geo-export/stl-exporter.ts b/src/extensions/geo-export/stl-exporter.ts
index 35812cbe4959bd4c3abfe8d7b70f5ffe18574ab3..82b325f621e0c6edba90a9b9fc8d7bba0e6aaa00 100644
--- a/src/extensions/geo-export/stl-exporter.ts
+++ b/src/extensions/geo-export/stl-exporter.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2021-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Sukolsak Sakshuwong <sukolsak@stanford.edu>
*/
@@ -30,7 +30,8 @@ export class StlExporter extends MeshExporter<StlData> {
private centerTransform: Mat4;
protected async addMeshWithColors(input: AddMeshInput) {
- const { values, isGeoTexture, ctx } = input;
+ const { values, isGeoTexture, mode, ctx } = input;
+ if (mode !== 'triangles') return;
const t = Mat4();
const tmpV = Vec3();
diff --git a/src/extensions/geo-export/usdz-exporter.ts b/src/extensions/geo-export/usdz-exporter.ts
index 7ff3935f47e7653e422f379beda13e38b427e464..7f6184288d5d7635daca9fdb1e874b777e6928b0 100644
--- a/src/extensions/geo-export/usdz-exporter.ts
+++ b/src/extensions/geo-export/usdz-exporter.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2021-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Sukolsak Sakshuwong <sukolsak@stanford.edu>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -61,7 +61,8 @@ def Material "material${materialKey}"
}
protected async addMeshWithColors(input: AddMeshInput) {
- const { mesh, values, isGeoTexture, webgl, ctx } = input;
+ const { mesh, values, isGeoTexture, mode, webgl, ctx } = input;
+ if (mode !== 'triangles') return;
const t = Mat4();
const n = Mat3();
@@ -78,20 +79,20 @@ def Material "material${materialKey}"
const roughness = values.uRoughness.ref.value;
let interpolatedColors: Uint8Array | undefined;
- if (colorType === 'volume' || colorType === 'volumeInstance') {
- interpolatedColors = UsdzExporter.getInterpolatedColors(webgl!, { vertices: mesh!.vertices, vertexCount: mesh!.vertexCount, values, stride, colorType });
+ if (webgl && mesh && (colorType === 'volume' || colorType === 'volumeInstance')) {
+ interpolatedColors = UsdzExporter.getInterpolatedColors(webgl, { vertices: mesh.vertices, vertexCount: mesh.vertexCount, values, stride, colorType });
}
let interpolatedOverpaint: Uint8Array | undefined;
- if (overpaintType === 'volumeInstance') {
+ if (webgl && mesh && overpaintType === 'volumeInstance') {
const stride = isGeoTexture ? 4 : 3;
- interpolatedOverpaint = UsdzExporter.getInterpolatedOverpaint(webgl!, { vertices: mesh!.vertices, vertexCount: mesh!.vertexCount, values, stride, colorType: overpaintType });
+ interpolatedOverpaint = UsdzExporter.getInterpolatedOverpaint(webgl, { vertices: mesh.vertices, vertexCount: mesh.vertexCount, values, stride, colorType: overpaintType });
}
let interpolatedTransparency: Uint8Array | undefined;
- if (transparencyType === 'volumeInstance') {
+ if (webgl && mesh && transparencyType === 'volumeInstance') {
const stride = isGeoTexture ? 4 : 3;
- interpolatedTransparency = UsdzExporter.getInterpolatedTransparency(webgl!, { vertices: mesh!.vertices, vertexCount: mesh!.vertexCount, values, stride, colorType: transparencyType });
+ interpolatedTransparency = UsdzExporter.getInterpolatedTransparency(webgl, { vertices: mesh.vertices, vertexCount: mesh.vertexCount, values, stride, colorType: transparencyType });
}
await ctx.update({ isIndeterminate: false, current: 0, max: instanceCount });
@@ -123,7 +124,7 @@ def Material "material${materialKey}"
// normal
for (let i = 0; i < vertexCount; ++i) {
- v3transformMat3(tmpV, v3fromArray(tmpV, normals, i * stride), n);
+ v3transformMat3(tmpV, v3fromArray(tmpV, normals!, i * stride), n);
StringBuilder.writeSafe(normalBuilder, (i === 0) ? '(' : ',(');
StringBuilder.writeFloat(normalBuilder, tmpV[0], 100);
StringBuilder.writeSafe(normalBuilder, ',');
@@ -133,7 +134,7 @@ def Material "material${materialKey}"
StringBuilder.writeSafe(normalBuilder, ')');
}
- const geoData = { values, groups, vertexCount, instanceIndex, isGeoTexture };
+ const geoData = { values, groups, vertexCount, instanceIndex, isGeoTexture, mode };
// face
for (let i = 0; i < drawCount; ++i) {
diff --git a/src/extensions/sb-ncbr/README.md b/src/extensions/sb-ncbr/README.md
new file mode 100644
index 0000000000000000000000000000000000000000..a69f77b94ddc7c6f558fe37a113608dcbf41464f
--- /dev/null
+++ b/src/extensions/sb-ncbr/README.md
@@ -0,0 +1,30 @@
+# SB NCBR extensions
+
+## Partial charges
+
+This extension visualizes partial atomic charges for atoms and residues. The extension reads charge data of a structure from a mmcif file and displays them as a color gradient on the atoms/residues. The coloring uses two gradients: one for positive charges (white-to-blue) and one for negative charges (red-to-white). The color is interpolated between the appropriate gradient based on the charge value. The extension also displays the charge values in the description label when an atom/residue is selected.
+
+### How to use
+
+To visualize partial charges, you need to provide a mmcif file with the structure and its charges. The charges are stored under the following categories:
+
+```
+_sb_ncbr_partial_atomic_charges_meta.id # id of the charges (e.g. 1)
+_sb_ncbr_partial_atomic_charges_meta.type # type of the charges (optional, e.g. 'empirical')
+_sb_ncbr_partial_atomic_charges_meta.method # calculation method name (e.g. 'QEq', 'SQE+qp/Schindler 2021 (PUB_pept)')
+
+_sb_ncbr_partial_atomic_charges.type_id # id of the charges (pointer to _sb_ncbr_partial_atomic_charges_meta.id)
+_sb_ncbr_partial_atomic_charges.atom_id # atom id (pointer to _atom_site.id)
+_sb_ncbr_partial_atomic_charges.charge # partial atomic charge
+```
+> Note that the mmcif item `_partial_atomic_charges_meta.method` is used as a description of the charge set in the UI (described in *Controls*).
+
+The extension will automatically read the charges from the mmcif file and color the structure accordingly.
+
+### Controls
+
+The extension provides controls for setting the color gradient range and for selecting charge type (atom charges or residue charges).
+These controls are available in Color Theme settings for 3D Representation cells in the State Tree UI.
+
+There is also a dropdown menu for switching between charge sets.
+These controls are available in Custom Model Properties settings for Model cell in the State Tree UI.
diff --git a/src/extensions/sb-ncbr/index.ts b/src/extensions/sb-ncbr/index.ts
new file mode 100644
index 0000000000000000000000000000000000000000..1a6d5f6262db2515dcbbfeb9f91064b87f22a44f
--- /dev/null
+++ b/src/extensions/sb-ncbr/index.ts
@@ -0,0 +1,3 @@
+export { SbNcbrPartialCharges } from './partial-charges/behavior';
+export { SbNcbrPartialChargesPreset } from './partial-charges/preset';
+export { SbNcbrPartialChargesPropertyProvider } from './partial-charges/property';
\ No newline at end of file
diff --git a/src/extensions/sb-ncbr/partial-charges/behavior.ts b/src/extensions/sb-ncbr/partial-charges/behavior.ts
new file mode 100644
index 0000000000000000000000000000000000000000..a8fe336951b0f7136644275635ed3ef29935d741
--- /dev/null
+++ b/src/extensions/sb-ncbr/partial-charges/behavior.ts
@@ -0,0 +1,38 @@
+import { LociLabelProvider } from '../../../mol-plugin-state/manager/loci-label';
+import { PluginBehavior } from '../../../mol-plugin/behavior';
+import { ParamDefinition as PD } from '../../../mol-util/param-definition';
+import { SbNcbrPartialChargesColorThemeProvider } from './color';
+import { SbNcbrPartialChargesPropertyProvider } from './property';
+import { SbNcbrPartialChargesLociLabelProvider } from './labels';
+import { SbNcbrPartialChargesPreset } from './preset';
+
+export const SbNcbrPartialCharges = PluginBehavior.create<{ autoAttach: boolean; showToolTip: boolean }>({
+ name: 'sb-ncbr-partial-charges',
+ category: 'misc',
+ display: {
+ name: 'SB NCBR Partial Charges',
+ },
+ ctor: class extends PluginBehavior.Handler<{ autoAttach: boolean; showToolTip: boolean }> {
+ private SbNcbrPartialChargesLociLabelProvider: LociLabelProvider = SbNcbrPartialChargesLociLabelProvider(
+ this.ctx
+ );
+
+ register(): void {
+ this.ctx.customModelProperties.register(SbNcbrPartialChargesPropertyProvider, this.params.autoAttach);
+ this.ctx.representation.structure.themes.colorThemeRegistry.add(SbNcbrPartialChargesColorThemeProvider);
+ this.ctx.managers.lociLabels.addProvider(this.SbNcbrPartialChargesLociLabelProvider);
+ this.ctx.builders.structure.representation.registerPreset(SbNcbrPartialChargesPreset);
+ }
+
+ unregister() {
+ this.ctx.customModelProperties.unregister(SbNcbrPartialChargesPropertyProvider.descriptor.name);
+ this.ctx.representation.structure.themes.colorThemeRegistry.remove(SbNcbrPartialChargesColorThemeProvider);
+ this.ctx.managers.lociLabels.removeProvider(this.SbNcbrPartialChargesLociLabelProvider);
+ this.ctx.builders.structure.representation.unregisterPreset(SbNcbrPartialChargesPreset);
+ }
+ },
+ params: () => ({
+ autoAttach: PD.Boolean(true),
+ showToolTip: PD.Boolean(true),
+ }),
+});
diff --git a/src/extensions/sb-ncbr/partial-charges/color.ts b/src/extensions/sb-ncbr/partial-charges/color.ts
new file mode 100644
index 0000000000000000000000000000000000000000..934c729bb84a63b0bfcc72304bc732c4c3fe5597
--- /dev/null
+++ b/src/extensions/sb-ncbr/partial-charges/color.ts
@@ -0,0 +1,150 @@
+import { Bond, StructureElement, StructureProperties, Unit } from '../../../mol-model/structure';
+import { ColorTheme, LocationColor } from '../../../mol-theme/color';
+import { ThemeDataContext } from '../../../mol-theme/theme';
+import { Color } from '../../../mol-util/color';
+import { ParamDefinition as PD } from '../../../mol-util/param-definition';
+import { Location } from '../../../mol-model/location';
+import { SbNcbrPartialChargesPropertyProvider } from './property';
+import { CustomProperty } from '../../../mol-model-props/common/custom-property';
+
+const Colors = {
+ Bond: Color(0xffffff),
+ Error: Color(0x00ff00),
+ MissingCharge: Color(0xffffff),
+
+ Negative: Color(0xff0000),
+ Zero: Color(0xffffff),
+ Positive: Color(0x0000ff),
+
+ getColor: (charge: number, maxCharge: number): Color => {
+ if (charge === 0) return Colors.Zero;
+ if (charge <= -maxCharge) return Colors.Negative;
+ if (charge >= maxCharge) return Colors.Positive;
+
+ const t = maxCharge !== 0 ? Math.abs(charge) / maxCharge : 1;
+ const endColor = charge < 0 ? Colors.Negative : Colors.Positive;
+
+ return Color.interpolate(Colors.Zero, endColor, t);
+ },
+};
+
+export const PartialChargesThemeParams = {
+ maxAbsoluteCharge: PD.Numeric(
+ 0,
+ { min: 0 },
+ {
+ label: 'Charge Range',
+ }
+ ),
+ absolute: PD.Boolean(false, { isHidden: false, label: 'Use Range' }),
+ chargeType: PD.Select(
+ 'residue',
+ [
+ ['atom', 'Atom charges'],
+ ['residue', 'Residue charges'],
+ ],
+ { isHidden: false }
+ ),
+};
+export type PartialChargesThemeParams = typeof PartialChargesThemeParams;
+
+export function getPartialChargesThemeParams() {
+ return PD.clone(PartialChargesThemeParams);
+}
+
+export function PartialChargesColorTheme(
+ ctx: ThemeDataContext,
+ props: PD.Values<PartialChargesThemeParams>
+): ColorTheme<PartialChargesThemeParams> {
+ const model = ctx.structure?.models[0];
+ if (!model) {
+ throw new Error('No model found');
+ }
+ const data = SbNcbrPartialChargesPropertyProvider.get(model).value;
+ if (!data) {
+ throw new Error('No partial charges data found');
+ }
+
+ const { absolute, chargeType } = props;
+ const { typeIdToAtomIdToCharge, typeIdToResidueToCharge, maxAbsoluteAtomCharges, maxAbsoluteResidueCharges } = data;
+ const typeId = SbNcbrPartialChargesPropertyProvider.props(model).typeId;
+ const atomToCharge = typeIdToAtomIdToCharge.get(typeId);
+ const residueToCharge = typeIdToResidueToCharge.get(typeId);
+
+ let maxCharge = 0;
+ if (absolute) {
+ maxCharge = props.maxAbsoluteCharge < 0 ? 0 : props.maxAbsoluteCharge;
+ } else if (chargeType === 'atom') {
+ maxCharge = maxAbsoluteAtomCharges.get(typeId) || 0;
+ } else {
+ maxCharge = maxAbsoluteResidueCharges.get(typeId) || 0;
+ }
+
+ // forces coloring updates
+ const contextHash = SbNcbrPartialChargesPropertyProvider.get(model)?.version;
+
+ const chargeMap = chargeType === 'atom' ? atomToCharge : residueToCharge;
+
+ let color: LocationColor;
+
+ if (!chargeMap) {
+ color = (_: Location): Color => Colors.MissingCharge;
+ } else {
+ color = (location: Location): Color => {
+ let id = -1;
+ if (StructureElement.Location.is(location)) {
+ if (Unit.isAtomic(location.unit)) {
+ id = StructureProperties.atom.id(location);
+ }
+ } else if (Bond.isLocation(location)) {
+ if (Unit.isAtomic(location.aUnit)) {
+ const l = StructureElement.Location.create(ctx.structure?.root);
+ l.unit = location.aUnit;
+ l.element = location.aUnit.elements[location.aIndex];
+ id = StructureProperties.atom.id(l);
+ }
+ }
+
+ const charge = chargeMap.get(id);
+
+ if (charge === undefined) {
+ console.warn('No charge found for id', id);
+ return Colors.MissingCharge;
+ }
+
+ return Colors.getColor(charge, maxCharge);
+ };
+ }
+
+ return {
+ factory: PartialChargesColorTheme,
+ granularity: 'group',
+ color,
+ props,
+ description: 'Color atoms and residues based on their partial charge.',
+ preferSmoothing: false,
+ contextHash,
+ };
+}
+
+export const SbNcbrPartialChargesColorThemeProvider: ColorTheme.Provider<
+PartialChargesThemeParams,
+'sb-ncbr-partial-charges'
+> = {
+ label: 'SB NCBR Partial Charges',
+ name: 'sb-ncbr-partial-charges',
+ category: ColorTheme.Category.Atom,
+ factory: PartialChargesColorTheme,
+ getParams: getPartialChargesThemeParams,
+ defaultValues: PD.getDefaultValues(PartialChargesThemeParams),
+ isApplicable: (ctx: ThemeDataContext) =>
+ !!ctx.structure &&
+ ctx.structure.models.some((model) => SbNcbrPartialChargesPropertyProvider.isApplicable(model)),
+ ensureCustomProperties: {
+ attach: (ctx: CustomProperty.Context, data: ThemeDataContext) =>
+ data.structure
+ ? SbNcbrPartialChargesPropertyProvider.attach(ctx, data.structure.models[0], void 0, true)
+ : Promise.resolve(),
+ detach: (data) => data.structure && SbNcbrPartialChargesPropertyProvider.ref(data.structure.models[0], false),
+ },
+};
diff --git a/src/extensions/sb-ncbr/partial-charges/labels.ts b/src/extensions/sb-ncbr/partial-charges/labels.ts
new file mode 100644
index 0000000000000000000000000000000000000000..d91a095e443d6453e9787eae997c147efefe4c99
--- /dev/null
+++ b/src/extensions/sb-ncbr/partial-charges/labels.ts
@@ -0,0 +1,40 @@
+import { StructureElement, StructureProperties } from '../../../mol-model/structure';
+import { LociLabel } from '../../../mol-plugin-state/manager/loci-label';
+import { SbNcbrPartialChargesPropertyProvider, hasPartialChargesCategories } from './property';
+import { Loci } from '../../../mol-model/loci';
+import { PluginContext } from '../../../mol-plugin/context';
+import { LociLabelProvider } from '../../../mol-plugin-state/manager/loci-label';
+
+export function SbNcbrPartialChargesLociLabelProvider(ctx: PluginContext): LociLabelProvider {
+ return {
+ label: (loci: Loci) => {
+ if (!StructureElement.Loci.is(loci)) return;
+
+ const model = loci.structure.model;
+ if (!hasPartialChargesCategories(model)) return;
+ const data = SbNcbrPartialChargesPropertyProvider.get(model).value;
+ if (!data) return;
+
+ const loc = StructureElement.Loci.getFirstLocation(loci);
+ if (!loc) return;
+
+ const granularity = ctx.managers.interactivity.props.granularity;
+ if (granularity !== 'element' && granularity !== 'residue') {
+ return;
+ }
+
+ const atomId = StructureProperties.atom.id(loc);
+ const { typeIdToAtomIdToCharge, typeIdToResidueToCharge } = data;
+
+ const typeId = SbNcbrPartialChargesPropertyProvider.props(model).typeId;
+ const showResidueCharge = granularity === 'residue';
+ const charge = showResidueCharge
+ ? typeIdToResidueToCharge.get(typeId)?.get(atomId)
+ : typeIdToAtomIdToCharge.get(typeId)?.get(atomId);
+ const label = granularity === 'residue' ? 'Residue charge' : 'Atom charge';
+
+ return `<strong>${label}: ${charge?.toFixed(4) || 'undefined'}</strong>`;
+ },
+ group: (label: LociLabel): string => (label as string).toString().replace(/Model [0-9]+/g, 'Models'),
+ };
+}
diff --git a/src/extensions/sb-ncbr/partial-charges/preset.ts b/src/extensions/sb-ncbr/partial-charges/preset.ts
new file mode 100644
index 0000000000000000000000000000000000000000..c0429f8bd578ec4131095a9761225bcf5a905af4
--- /dev/null
+++ b/src/extensions/sb-ncbr/partial-charges/preset.ts
@@ -0,0 +1,32 @@
+import {
+ PresetStructureRepresentations,
+ StructureRepresentationPresetProvider,
+} from '../../../mol-plugin-state/builder/structure/representation-preset';
+import { StateObjectRef } from '../../../mol-state';
+import { SbNcbrPartialChargesPropertyProvider } from './property';
+import { SbNcbrPartialChargesColorThemeProvider } from './color';
+
+export const SbNcbrPartialChargesPreset = StructureRepresentationPresetProvider({
+ id: 'sb-ncbr-partial-charges-preset',
+ display: {
+ name: 'SB NCBR Partial Charges',
+ group: 'Annotation',
+ description: 'Color atoms and residues based on their partial charge.',
+ },
+ isApplicable(a) {
+ return !!a.data.models.some((m) => SbNcbrPartialChargesPropertyProvider.isApplicable(m));
+ },
+ params: () => StructureRepresentationPresetProvider.CommonParams,
+ async apply(ref, params, plugin) {
+ const structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
+ const structure = structureCell?.obj?.data;
+ if (!structureCell || !structure) return {};
+
+ const colorTheme = SbNcbrPartialChargesColorThemeProvider.name as any;
+ return PresetStructureRepresentations.auto.apply(
+ ref,
+ { ...params, theme: { globalName: colorTheme, focus: { name: colorTheme, params: { chargeType: 'atom' } } } },
+ plugin
+ );
+ },
+});
diff --git a/src/extensions/sb-ncbr/partial-charges/property.ts b/src/extensions/sb-ncbr/partial-charges/property.ts
new file mode 100644
index 0000000000000000000000000000000000000000..7cb37f64c994d1e9139b0144b063d76ae29b0ef2
--- /dev/null
+++ b/src/extensions/sb-ncbr/partial-charges/property.ts
@@ -0,0 +1,204 @@
+import { Model } from '../../../mol-model/structure';
+import { CustomProperty } from '../../../mol-model-props/common/custom-property';
+import { ParamDefinition as PD } from '../../../mol-util/param-definition';
+import { MmcifFormat } from '../../../mol-model-formats/structure/mmcif';
+import { CustomPropertyDescriptor } from '../../../mol-model/custom-property';
+import { CustomModelProperty } from '../../../mol-model-props/common/custom-model-property';
+import { arrayMinMax } from '../../../mol-util/array';
+
+type TypeId = number;
+type IdToCharge = Map<number, number>;
+export interface SBNcbrPartialChargeData {
+ typeIdToMethod: Map<TypeId, string>;
+ typeIdToAtomIdToCharge: Map<TypeId, IdToCharge>;
+ typeIdToResidueToCharge: Map<TypeId, IdToCharge>;
+ maxAbsoluteAtomCharges: IdToCharge;
+ maxAbsoluteResidueCharges: IdToCharge;
+ maxAbsoluteAtomChargeAll: number;
+ params: PartialChargesPropertyParams;
+}
+
+const PartialChargesPropertyParams = {
+ typeId: PD.Select<number>(0, [[0, '0']]),
+};
+type PartialChargesPropertyParams = typeof PartialChargesPropertyParams;
+const DefaultPartialChargesPropertyParams = PD.clone(PartialChargesPropertyParams);
+
+function getParams(model: Model) {
+ return getData(model).value?.params ?? DefaultPartialChargesPropertyParams;
+}
+
+const PropertyKey = 'sb-ncbr-partial-charges-property-data';
+
+function getData(model: Model): CustomProperty.Data<SBNcbrPartialChargeData | undefined> {
+ if (PropertyKey in model._staticPropertyData) {
+ return model._staticPropertyData[PropertyKey];
+ }
+
+ let data: CustomProperty.Data<SBNcbrPartialChargeData | undefined>;
+
+ if (!SbNcbrPartialChargesPropertyProvider.isApplicable(model)) {
+ data = { value: undefined };
+ } else {
+ const typeIdToMethod = getTypeIdToMethod(model);
+ const typeIdToAtomIdToCharge = getTypeIdToAtomIdToCharge(model);
+ const typeIdToResidueToCharge = getTypeIdToResidueIdToCharge(model, typeIdToAtomIdToCharge);
+ const maxAbsoluteAtomCharges = getMaxAbsoluteCharges(typeIdToAtomIdToCharge);
+ const maxAbsoluteResidueCharges = getMaxAbsoluteCharges(typeIdToResidueToCharge);
+ const maxAbsoluteAtomChargeAll = getMaxAbsoluteAtomChargeAll(maxAbsoluteAtomCharges, maxAbsoluteResidueCharges);
+
+ const options = Array.from(typeIdToMethod.entries()).map(
+ ([typeId, method]) => [typeId, method] as [number, string]
+ );
+ const params = {
+ typeId: PD.Select<number>(1, options),
+ };
+
+ data = {
+ value: {
+ typeIdToMethod,
+ typeIdToAtomIdToCharge,
+ typeIdToResidueToCharge,
+ maxAbsoluteAtomCharges,
+ maxAbsoluteResidueCharges,
+ maxAbsoluteAtomChargeAll,
+ params,
+ },
+ };
+ }
+
+ model._staticPropertyData[PropertyKey] = data;
+ return data;
+}
+
+function getTypeIdToMethod(model: Model) {
+ const typeIdToMethod: SBNcbrPartialChargeData['typeIdToMethod'] = new Map();
+
+ const sourceData = model.sourceData as MmcifFormat;
+ const rowCount = sourceData.data.frame.categories.sb_ncbr_partial_atomic_charges_meta.rowCount;
+ const typeIds = sourceData.data.frame.categories.sb_ncbr_partial_atomic_charges_meta.getField('id');
+ const methods = sourceData.data.frame.categories.sb_ncbr_partial_atomic_charges_meta.getField('method');
+
+ if (!typeIds || !methods) {
+ return typeIdToMethod;
+ }
+
+ for (let i = 0; i < rowCount; ++i) {
+ const typeId = typeIds.int(i);
+ const method = methods.str(i);
+ typeIdToMethod.set(typeId, method);
+ }
+
+ return typeIdToMethod;
+}
+
+function getTypeIdToAtomIdToCharge(model: Model): SBNcbrPartialChargeData['typeIdToAtomIdToCharge'] {
+ const atomIdToCharge: SBNcbrPartialChargeData['typeIdToAtomIdToCharge'] = new Map();
+
+ const sourceData = model.sourceData as MmcifFormat;
+ const rowCount = sourceData.data.frame.categories.sb_ncbr_partial_atomic_charges.rowCount;
+ const typeIds = sourceData.data.frame.categories.sb_ncbr_partial_atomic_charges.getField('type_id');
+ const atomIds = sourceData.data.frame.categories.sb_ncbr_partial_atomic_charges.getField('atom_id');
+ const charges = sourceData.data.frame.categories.sb_ncbr_partial_atomic_charges.getField('charge');
+
+ if (!typeIds || !atomIds || !charges) return atomIdToCharge;
+
+ for (let i = 0; i < rowCount; ++i) {
+ const typeId = typeIds.int(i);
+ const atomId = atomIds.int(i);
+ const charge = charges.float(i);
+ if (!atomIdToCharge.has(typeId)) atomIdToCharge.set(typeId, new Map());
+ atomIdToCharge.get(typeId)?.set(atomId, charge);
+ }
+
+ return atomIdToCharge;
+}
+
+function getTypeIdToResidueIdToCharge(
+ model: Model,
+ typeIdToAtomIdToCharge: SBNcbrPartialChargeData['typeIdToAtomIdToCharge']
+) {
+ const { offsets, count } = model.atomicHierarchy.residueAtomSegments;
+ const { atomId: atomIds } = model.atomicConformation;
+
+ const residueToCharge: SBNcbrPartialChargeData['typeIdToResidueToCharge'] = new Map();
+
+ typeIdToAtomIdToCharge.forEach((atomIdToCharge, typeId: number) => {
+ if (!residueToCharge.has(typeId)) residueToCharge.set(typeId, new Map());
+ const residueCharges = residueToCharge.get(typeId)!;
+ for (let rI = 0; rI < count; rI++) {
+ let charge = 0;
+ for (let aI = offsets[rI], _aI = offsets[rI + 1]; aI < _aI; aI++) {
+ const atom_id = atomIds.value(aI);
+ charge += atomIdToCharge.get(atom_id) || 0;
+ }
+ for (let aI = offsets[rI], _aI = offsets[rI + 1]; aI < _aI; aI++) {
+ const atom_id = atomIds.value(aI);
+ residueCharges.set(atom_id, charge);
+ }
+ }
+ });
+
+ return residueToCharge;
+}
+
+function getMaxAbsoluteCharges(
+ typeIdToCharge: SBNcbrPartialChargeData['typeIdToAtomIdToCharge']
+): SBNcbrPartialChargeData['maxAbsoluteAtomCharges'];
+function getMaxAbsoluteCharges(
+ typeIdToCharge: SBNcbrPartialChargeData['typeIdToResidueToCharge']
+): SBNcbrPartialChargeData['maxAbsoluteResidueCharges'] {
+ const maxAbsoluteCharges: Map<number, number> = new Map();
+
+ typeIdToCharge.forEach((idToCharge, typeId) => {
+ const charges = Array.from(idToCharge.values());
+ const [min, max] = arrayMinMax(charges);
+ const bound = Math.max(Math.abs(min), max);
+ maxAbsoluteCharges.set(typeId, bound);
+ });
+
+ return maxAbsoluteCharges;
+}
+
+function getMaxAbsoluteAtomChargeAll(
+ maxAbsoluteAtomCharges: SBNcbrPartialChargeData['maxAbsoluteAtomCharges'],
+ maxAbsoluteResidueCharges: SBNcbrPartialChargeData['maxAbsoluteResidueCharges']
+): number {
+ let maxAbsoluteCharge = 0;
+
+ maxAbsoluteAtomCharges.forEach((_, typeId) => {
+ const maxCharge = maxAbsoluteAtomCharges.get(typeId) || 0;
+ if (maxCharge > maxAbsoluteCharge) maxAbsoluteCharge = maxCharge;
+ });
+ maxAbsoluteResidueCharges.forEach((_, typeId) => {
+ const maxCharge = maxAbsoluteResidueCharges.get(typeId) || 0;
+ if (maxCharge > maxAbsoluteCharge) maxAbsoluteCharge = maxCharge;
+ });
+
+ return maxAbsoluteCharge;
+}
+
+export function hasPartialChargesCategories(model: Model): boolean {
+ if (!model || !MmcifFormat.is(model.sourceData)) return false;
+ const { categories } = model.sourceData.data.frame;
+ return (
+ 'atom_site' in categories &&
+ 'sb_ncbr_partial_atomic_charges' in categories &&
+ 'sb_ncbr_partial_atomic_charges_meta' in categories
+ );
+}
+
+export const SbNcbrPartialChargesPropertyProvider: CustomModelProperty.Provider<
+PartialChargesPropertyParams,
+SBNcbrPartialChargeData | undefined
+> = CustomModelProperty.createProvider({
+ label: 'SB NCBR Partial Charges Property Provider',
+ descriptor: CustomPropertyDescriptor({
+ name: 'sb-ncbr-partial-charges-property-provider',
+ }),
+ type: 'static',
+ defaultParams: DefaultPartialChargesPropertyParams,
+ getParams: (data: Model) => getParams(data),
+ isApplicable: (model: Model) => hasPartialChargesCategories(model),
+ obtain: (_ctx: CustomProperty.Context, model: Model) => Promise.resolve(getData(model)),
+});
diff --git a/src/extensions/volumes-and-segmentations/index.ts b/src/extensions/volumes-and-segmentations/index.ts
index 8f66d7ed10805ae02c0cb8e8ceb32d97785e4a30..d62316598de4208898a15e1ca81aa73375079970 100644
--- a/src/extensions/volumes-and-segmentations/index.ts
+++ b/src/extensions/volumes-and-segmentations/index.ts
@@ -19,7 +19,7 @@ import { VolsegEntryFromRoot, VolsegGlobalStateFromRoot, VolsegStateFromEntry }
import { VolsegUI } from './ui';
-const DEBUGGING = window.location.hostname === 'localhost';
+const DEBUGGING = typeof window !== 'undefined' ? window?.location?.hostname === 'localhost' : false;
export const VolsegVolumeServerConfig = {
// DefaultServer: new PluginConfigItem('volseg-volume-server', DEFAULT_VOLUME_SERVER_V2),
diff --git a/src/extensions/wwpdb/struct-conn/index.ts b/src/extensions/wwpdb/struct-conn/index.ts
new file mode 100644
index 0000000000000000000000000000000000000000..445d7a0b837f53007c2112f1b10f44f3b6efeaf5
--- /dev/null
+++ b/src/extensions/wwpdb/struct-conn/index.ts
@@ -0,0 +1,301 @@
+/**
+ * Copyright (c) 2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Adam Midlik <midlik@gmail.com>
+ */
+
+import { Column } from '../../../mol-data/db';
+import { MmcifFormat } from '../../../mol-model-formats/structure/mmcif';
+import { Model } from '../../../mol-model/structure';
+import { PluginStateObject } from '../../../mol-plugin-state/objects';
+import { StructureComponent } from '../../../mol-plugin-state/transforms/model';
+import { StructureRepresentation3D } from '../../../mol-plugin-state/transforms/representation';
+import { setSubtreeVisibility } from '../../../mol-plugin/behavior/static/state';
+import { PluginContext } from '../../../mol-plugin/context';
+import { MolScriptBuilder } from '../../../mol-script/language/builder';
+import { ColorNames } from '../../../mol-util/color/names';
+
+
+/** Amount by which to expand the camera radius when zooming to atoms involved in struct_conn (angstroms) */
+const EXTRA_RADIUS = 4;
+
+/** Tags for state tree nodes managed by this extension */
+const TAGS = {
+ RESIDUE_SEL: 'structconn-focus-residue-sel',
+ ATOM_SEL: 'structconn-focus-atom-sel',
+ RESIDUE_REPR: 'structconn-focus-residue-repr',
+ RESIDUE_NCI_REPR: 'structconn-focus-residue-nci-repr',
+ ATOM_REPR: 'structconn-focus-atom-repr',
+} as const;
+
+type VisualParams = ReturnType<typeof StructureRepresentation3D.createDefaultParams>
+
+/** Parameters for 3D representation of atoms involved in struct_conn (pink bubbles) */
+const ATOMS_VISUAL_PARAMS: VisualParams = {
+ type: { name: 'ball-and-stick', params: { sizeFactor: 0.25, sizeAspectRatio: 0.73, adjustCylinderLength: true, xrayShaded: true, aromaticBonds: false, multipleBonds: 'off', dashCount: 1, dashCap: false } },
+ colorTheme: { name: 'uniform', params: { value: ColorNames.magenta } },
+ sizeTheme: { name: 'physical', params: {} },
+} as const;
+
+/** Parameters for 3D representation of residues involved in struct_conn (normal ball-and-stick) */
+const RESIDUES_VISUAL_PARAMS: VisualParams = {
+ type: { name: 'ball-and-stick', params: { sizeFactor: 0.16 } },
+ colorTheme: { name: 'element-symbol', params: {} },
+ sizeTheme: { name: 'physical', params: {} },
+} as const;
+
+
+/** All public functions provided by the StructConn extension */
+export const wwPDBStructConnExtensionFunctions = {
+ /** Return an object with all struct_conn records for a loaded structure.
+ * Applies to the first structure belonging to `entry` (e.g. '1tqn'),
+ * or to the first loaded structure overall if `entry` is `undefined`.
+ */
+ getStructConns(plugin: PluginContext, entry: string | undefined): { [id: string]: StructConnRecord } {
+ const structNode = selectStructureNode(plugin, entry);
+ const structure = structNode?.obj?.data;
+ if (structure) return extractStructConns(structure.model);
+ else return {};
+ },
+
+ /** Create visuals for residues and atoms involved in a struct_conn with ID `structConnId`
+ * and zoom on them. If `keepExisting` is false (default), remove any such visuals created by previous calls to this function.
+ * Also hide all carbohydrate SNFG visuals within the structure (as they would occlude our residues of interest).
+ * Return a promise that resolves to the number of involved atoms which were successfully selected (2, 1, or 0).
+ */
+ async inspectStructConn(plugin: PluginContext, entry: string | undefined, structConnId: string, keepExisting: boolean = false): Promise<number> {
+ const structNode = selectStructureNode(plugin, entry);
+ const structure = structNode?.obj?.data;
+ if (!structure) {
+ console.error('Structure not found');
+ return 0;
+ }
+
+ const conns: { [id: string]: StructConnRecord } = structure.model._staticPropertyData['wwpdb-struct-conn-extension-data'] ??= extractStructConns(structure.model);
+ const conn = conns[structConnId];
+ if (!conn) {
+ console.error(`The structure does not contain struct_conn "${structConnId}"`);
+ return 0;
+ }
+
+ if (!keepExisting) {
+ await removeAllStructConnInspections(plugin, structNode);
+ }
+ const nSelectedAtoms = await addStructConnInspection(plugin, structNode, conn);
+ hideSnfgNodes(plugin, structNode);
+ return nSelectedAtoms;
+ },
+
+ /** Remove anything created by `inspectStructConn` within the structure and
+ * make visible any carbohydrate SNFG visuals that have been hidden by `inspectStructConn`.
+ */
+ async clearStructConnInspections(plugin: PluginContext, entry: string | undefined) {
+ const structNode = selectStructureNode(plugin, entry);
+ if (!structNode) return;
+ await removeAllStructConnInspections(plugin, structNode);
+ unhideSnfgNodes(plugin, structNode);
+ },
+};
+
+
+type StructNode = Exclude<ReturnType<typeof selectStructureNode>, undefined>
+
+/** Return the first structure node belonging to `entry` (e.g. '1tqn'),
+ * or to the first loaded structure node overall if `entry` is `undefined`.
+ * Includes only "root" structures, not structure components. */
+function selectStructureNode(plugin: PluginContext, entry: string | undefined) {
+ const structNodes = plugin.state.data
+ .selectQ(q => q.rootsOfType(PluginStateObject.Molecule.Structure));
+ if (entry) {
+ const result = structNodes.find(node => node.obj && node.obj.data.model.entry.toLowerCase() === entry.toLowerCase());
+ if (!result) {
+ console.warn(`Structure with entry ID "${entry}" was not found. Available structures: ${structNodes.map(node => node.obj?.data.model.entry)}`);
+ }
+ return result;
+ } else {
+ if (structNodes.length > 1) {
+ console.warn(`Structure entry ID was not specified, but there is more than one loaded structure (${structNodes.map(node => node.obj?.data.model.entry)}). Taking the first structure.`);
+ }
+ if (structNodes.length === 0) {
+ console.warn(`There are no loaded structures.`);
+ }
+ return structNodes[0];
+ }
+}
+
+
+/** Represents one partner (i.e. atom) of a struct_conn */
+interface StructConnPartner {
+ asymId: string,
+ seqId: number | undefined,
+ authSeqId: number | undefined,
+ insCode: string,
+ compId: string,
+ atomId: string,
+ /** Alternative location (use empty string if not given) */
+ altId: string,
+}
+
+/** Represents a struct_conn (interaction between two partners) */
+export interface StructConnRecord {
+ id: string,
+ distance: number,
+ partner1: StructConnPartner,
+ partner2: StructConnPartner,
+}
+
+
+/** Return an object with all struct_conn records read from mmCIF.
+ * Return {} if the model comes from another format than mmCIF.
+ */
+function extractStructConns(model: Model): { [id: string]: StructConnRecord } {
+ if (!MmcifFormat.is(model.sourceData)) {
+ console.error('Cannot get struct_conn because source data are not mmCIF.');
+ return {};
+ }
+ const mmcifData = model.sourceData.data;
+ const {
+ id,
+ ptnr1_label_asym_id: asym1,
+ ptnr1_label_seq_id: seq1,
+ ptnr1_auth_seq_id: authSeq1,
+ pdbx_ptnr1_PDB_ins_code: authInsCode1,
+ ptnr1_label_comp_id: comp1,
+ ptnr1_label_atom_id: atom1,
+ pdbx_ptnr1_label_alt_id: alt1,
+ ptnr2_label_asym_id: asym2,
+ ptnr2_label_seq_id: seq2,
+ ptnr2_auth_seq_id: authSeq2,
+ pdbx_ptnr2_PDB_ins_code: authInsCode2,
+ ptnr2_label_comp_id: comp2,
+ ptnr2_label_atom_id: atom2,
+ pdbx_ptnr2_label_alt_id: alt2,
+ pdbx_dist_value: distance } = mmcifData.db.struct_conn;
+ const n = id.rowCount;
+ const result: { [id: string]: StructConnRecord } = {};
+ for (let i = 0; i < n; i++) {
+ const conn: StructConnRecord = {
+ id: id.value(i),
+ distance: distance.value(i),
+ partner1: {
+ asymId: asym1.value(i),
+ seqId: seq1.valueKind(i) === Column.ValueKinds.Present ? seq1.value(i) : undefined,
+ authSeqId: authSeq1.valueKind(i) === Column.ValueKinds.Present ? authSeq1.value(i) : undefined,
+ insCode: authInsCode1.value(i),
+ compId: comp1.value(i),
+ atomId: atom1.value(i),
+ altId: alt1.value(i),
+ },
+ partner2: {
+ asymId: asym2.value(i),
+ seqId: seq2.valueKind(i) === Column.ValueKinds.Present ? seq2.value(i) : undefined,
+ authSeqId: authSeq2.valueKind(i) === Column.ValueKinds.Present ? authSeq2.value(i) : undefined,
+ insCode: authInsCode2.value(i),
+ compId: comp2.value(i),
+ atomId: atom2.value(i),
+ altId: alt2.value(i),
+ },
+ };
+ result[conn.id] = conn;
+ }
+ return result;
+}
+
+/** Return MolScript expression for atoms or residues involved in a struct_conn */
+function structConnExpression(conn: StructConnRecord, by: 'atoms' | 'residues') {
+ const { core, struct } = MolScriptBuilder;
+ const partnerExpressions = [];
+ for (const partner of [conn.partner1, conn.partner2]) {
+ const propTests: Parameters<typeof struct.generator.atomGroups>[0] = {
+ 'chain-test': core.rel.eq([struct.atomProperty.macromolecular.label_asym_id(), partner.asymId]),
+ 'group-by': struct.atomProperty.core.operatorName(),
+ };
+ if (partner.seqId !== undefined) {
+ propTests['residue-test'] = core.rel.eq([struct.atomProperty.macromolecular.label_seq_id(), partner.seqId]);
+ } else if (partner.authSeqId !== undefined) { // for the case of water and carbohydrates (see 5elb, covale3 vs covale5)
+ propTests['residue-test'] = core.logic.and([
+ core.rel.eq([struct.atomProperty.macromolecular.auth_seq_id(), partner.authSeqId]),
+ core.rel.eq([struct.atomProperty.macromolecular.pdbx_PDB_ins_code(), partner.insCode]),
+ ]);
+ }
+ if (by === 'residues' && partner.altId !== '') {
+ propTests['atom-test'] = core.rel.eq([struct.atomProperty.macromolecular.label_alt_id(), partner.altId]);
+ }
+ if (by === 'atoms') {
+ propTests['atom-test'] = core.logic.and([
+ core.rel.eq([struct.atomProperty.macromolecular.label_atom_id(), partner.atomId]),
+ core.rel.eq([struct.atomProperty.macromolecular.label_alt_id(), partner.altId]),
+ ]);
+ }
+ partnerExpressions.push(struct.filter.first([struct.generator.atomGroups(propTests)]));
+ }
+ return struct.combinator.merge(partnerExpressions.map(e => struct.modifier.union([e])));
+}
+
+/** Create visuals for residues and atoms involved in a struct_conn and zoom on them.
+ * Return a promise that resolves to the number of involved atoms which were successfully selected (2, 1, or 0).
+ */
+async function addStructConnInspection(plugin: PluginContext, structNode: StructNode, conn: StructConnRecord): Promise<number> {
+ const expressionByResidues = structConnExpression(conn, 'residues');
+ const expressionByAtoms = structConnExpression(conn, 'atoms');
+
+ const update = plugin.build();
+ update.to(structNode).apply(
+ StructureComponent,
+ { label: `${conn.id} (residues)`, type: { name: 'expression', params: expressionByResidues } },
+ { tags: [TAGS.RESIDUE_SEL] }
+ ).apply(
+ StructureRepresentation3D,
+ RESIDUES_VISUAL_PARAMS,
+ { tags: [TAGS.RESIDUE_REPR] }
+ );
+
+ const atomsSelection = update.to(structNode).apply(
+ StructureComponent,
+ { label: `${conn.id} (atoms)`, type: { name: 'expression', params: expressionByAtoms } },
+ { tags: [TAGS.ATOM_SEL] }
+ );
+ const atomsVisual = update.to(atomsSelection.ref).apply(
+ StructureRepresentation3D,
+ ATOMS_VISUAL_PARAMS,
+ { tags: [TAGS.ATOM_REPR] }
+ );
+ await update.commit();
+
+ plugin.managers.camera.focusRenderObjects(atomsVisual.selector.data?.repr.renderObjects, { extraRadius: EXTRA_RADIUS });
+ const nSelectedAtoms = atomsSelection.selector.obj?.data?.elementCount ?? 0;
+ return nSelectedAtoms;
+}
+
+/** Remove anything created by `addStructConnInspection` */
+async function removeAllStructConnInspections(plugin: PluginContext, structNode: StructNode) {
+ const selNodes = [
+ ...plugin.state.data.selectQ(q => q.byRef(structNode.transform.ref).subtree().withTag(TAGS.RESIDUE_SEL)),
+ ...plugin.state.data.selectQ(q => q.byRef(structNode.transform.ref).subtree().withTag(TAGS.ATOM_SEL)),
+ ];
+ const update = plugin.build();
+ for (const node of selNodes) {
+ update.delete(node);
+ }
+ await update.commit();
+}
+
+/** Hide all carbohydrate SNFG visuals */
+function hideSnfgNodes(plugin: PluginContext, structNode: StructNode) {
+ const snfgNodes = plugin.state.data.selectQ(q => q.byRef(structNode.transform.ref).subtree().withTag('branched-snfg-3d'));
+ for (const node of snfgNodes) {
+ setSubtreeVisibility(plugin.state.data, node.transform.ref, true); // true means hidden
+ }
+}
+
+/** Make visible all carbohydrate SNFG visuals that have been hidden by `hideSnfgNodes` */
+function unhideSnfgNodes(plugin: PluginContext, structNode: StructNode) {
+ const snfgNodes = plugin.state.data.selectQ(q => q.byRef(structNode.transform.ref).subtree().withTag('branched-snfg-3d'));
+ for (const node of snfgNodes) {
+ try {
+ setSubtreeVisibility(plugin.state.data, node.transform.ref, false); // false means visible
+ } catch {
+ // this is OK, the node has been removed
+ }
+ }
+}
diff --git a/src/mol-canvas3d/camera.ts b/src/mol-canvas3d/camera.ts
index 09914b2dd2625c78a6eba2769b2501129e479b2b..e83d6b509af8840b313a5b7d323e821fa24bd882 100644
--- a/src/mol-canvas3d/camera.ts
+++ b/src/mol-canvas3d/camera.ts
@@ -422,7 +422,7 @@ function updateClip(camera: Camera) {
const fogFar = far;
camera.near = near;
- camera.far = 2 * far; // avoid precision issues distingushing far objects from background
+ camera.far = far;
camera.fogNear = fogNear;
camera.fogFar = fogFar;
}
\ No newline at end of file
diff --git a/src/mol-canvas3d/controls/trackball.ts b/src/mol-canvas3d/controls/trackball.ts
index 08647f650748495102273cf365518354ff0ea358..a3f02d4a3a16cc4020c4ed3e4f4202e0f5eb83bf 100644
--- a/src/mol-canvas3d/controls/trackball.ts
+++ b/src/mol-canvas3d/controls/trackball.ts
@@ -45,10 +45,10 @@ export const DefaultTrackballBindings = {
keyMoveDown: Binding([Key('KeyF')], 'Move down', 'Press ${triggers}'),
keyRollLeft: Binding([Key('KeyQ')], 'Roll left', 'Press ${triggers}'),
keyRollRight: Binding([Key('KeyE')], 'Roll right', 'Press ${triggers}'),
- keyPitchUp: Binding([Key('ArrowUp')], 'Pitch up', 'Press ${triggers}'),
- keyPitchDown: Binding([Key('ArrowDown')], 'Pitch down', 'Press ${triggers}'),
- keyYawLeft: Binding([Key('ArrowLeft')], 'Yaw left', 'Press ${triggers}'),
- keyYawRight: Binding([Key('ArrowRight')], 'Yaw right', 'Press ${triggers}'),
+ keyPitchUp: Binding([Key('ArrowUp', M.create({ shift: true }))], 'Pitch up', 'Press ${triggers}'),
+ keyPitchDown: Binding([Key('ArrowDown', M.create({ shift: true }))], 'Pitch down', 'Press ${triggers}'),
+ keyYawLeft: Binding([Key('ArrowLeft', M.create({ shift: true }))], 'Yaw left', 'Press ${triggers}'),
+ keyYawRight: Binding([Key('ArrowRight', M.create({ shift: true }))], 'Yaw right', 'Press ${triggers}'),
boostMove: Binding([Key('ShiftLeft')], 'Boost move', 'Press ${triggers}'),
enablePointerLock: Binding([Key('Space', M.create({ control: true }))], 'Enable pointer lock', 'Press ${triggers}'),
@@ -679,30 +679,67 @@ namespace TrackballControls {
function onKeyUp({ modifiers, code, x, y }: KeyInput) {
if (outsideViewport(x, y)) return;
- if (Binding.matchKey(b.keyMoveForward, code, modifiers)) {
- keyState.moveForward = 0;
- } else if (Binding.matchKey(b.keyMoveBack, code, modifiers)) {
- keyState.moveBack = 0;
- } else if (Binding.matchKey(b.keyMoveLeft, code, modifiers)) {
- keyState.moveLeft = 0;
- } else if (Binding.matchKey(b.keyMoveRight, code, modifiers)) {
- keyState.moveRight = 0;
- } else if (Binding.matchKey(b.keyMoveUp, code, modifiers)) {
- keyState.moveUp = 0;
- } else if (Binding.matchKey(b.keyMoveDown, code, modifiers)) {
- keyState.moveDown = 0;
- } else if (Binding.matchKey(b.keyRollLeft, code, modifiers)) {
- keyState.rollLeft = 0;
- } else if (Binding.matchKey(b.keyRollRight, code, modifiers)) {
- keyState.rollRight = 0;
- } else if (Binding.matchKey(b.keyPitchUp, code, modifiers)) {
- keyState.pitchUp = 0;
- } else if (Binding.matchKey(b.keyPitchDown, code, modifiers)) {
- keyState.pitchDown = 0;
- } else if (Binding.matchKey(b.keyYawLeft, code, modifiers)) {
- keyState.yawLeft = 0;
- } else if (Binding.matchKey(b.keyYawRight, code, modifiers)) {
- keyState.yawRight = 0;
+ let isModifierCode = false;
+
+ if (code.startsWith('Alt')) {
+ isModifierCode = true;
+ modifiers.alt = true;
+ } else if (code.startsWith('Shift')) {
+ isModifierCode = true;
+ modifiers.shift = true;
+ } else if (code.startsWith('Control')) {
+ isModifierCode = true;
+ modifiers.control = true;
+ } else if (code.startsWith('Meta')) {
+ isModifierCode = true;
+ modifiers.meta = true;
+ }
+
+ const codes = [];
+
+ if (isModifierCode) {
+ if (keyState.moveForward) codes.push(b.keyMoveForward.triggers[0]?.code || '');
+ if (keyState.moveBack) codes.push(b.keyMoveBack.triggers[0]?.code || '');
+ if (keyState.moveLeft) codes.push(b.keyMoveLeft.triggers[0]?.code || '');
+ if (keyState.moveRight) codes.push(b.keyMoveRight.triggers[0]?.code || '');
+ if (keyState.moveUp) codes.push(b.keyMoveUp.triggers[0]?.code || '');
+ if (keyState.moveDown) codes.push(b.keyMoveDown.triggers[0]?.code || '');
+ if (keyState.rollLeft) codes.push(b.keyRollLeft.triggers[0]?.code || '');
+ if (keyState.rollRight) codes.push(b.keyRollRight.triggers[0]?.code || '');
+ if (keyState.pitchUp) codes.push(b.keyPitchUp.triggers[0]?.code || '');
+ if (keyState.pitchDown) codes.push(b.keyPitchDown.triggers[0]?.code || '');
+ if (keyState.yawLeft) codes.push(b.keyYawLeft.triggers[0]?.code || '');
+ if (keyState.yawRight) codes.push(b.keyYawRight.triggers[0]?.code || '');
+ } else {
+ codes.push(code);
+ }
+
+ for (const code of codes) {
+ if (Binding.matchKey(b.keyMoveForward, code, modifiers)) {
+ keyState.moveForward = 0;
+ } else if (Binding.matchKey(b.keyMoveBack, code, modifiers)) {
+ keyState.moveBack = 0;
+ } else if (Binding.matchKey(b.keyMoveLeft, code, modifiers)) {
+ keyState.moveLeft = 0;
+ } else if (Binding.matchKey(b.keyMoveRight, code, modifiers)) {
+ keyState.moveRight = 0;
+ } else if (Binding.matchKey(b.keyMoveUp, code, modifiers)) {
+ keyState.moveUp = 0;
+ } else if (Binding.matchKey(b.keyMoveDown, code, modifiers)) {
+ keyState.moveDown = 0;
+ } else if (Binding.matchKey(b.keyRollLeft, code, modifiers)) {
+ keyState.rollLeft = 0;
+ } else if (Binding.matchKey(b.keyRollRight, code, modifiers)) {
+ keyState.rollRight = 0;
+ } else if (Binding.matchKey(b.keyPitchUp, code, modifiers)) {
+ keyState.pitchUp = 0;
+ } else if (Binding.matchKey(b.keyPitchDown, code, modifiers)) {
+ keyState.pitchDown = 0;
+ } else if (Binding.matchKey(b.keyYawLeft, code, modifiers)) {
+ keyState.yawLeft = 0;
+ } else if (Binding.matchKey(b.keyYawRight, code, modifiers)) {
+ keyState.yawRight = 0;
+ }
}
if (Binding.matchKey(b.boostMove, code, modifiers)) {
@@ -742,7 +779,7 @@ namespace TrackballControls {
}
}
- function onLeave() {
+ function unsetKeyState() {
keyState.moveForward = 0;
keyState.moveBack = 0;
keyState.moveLeft = 0;
@@ -758,6 +795,10 @@ namespace TrackballControls {
keyState.boostMove = 0;
}
+ function onLeave() {
+ unsetKeyState();
+ }
+
function dispose() {
if (disposed) return;
disposed = true;
diff --git a/src/mol-canvas3d/passes/postprocessing.ts b/src/mol-canvas3d/passes/postprocessing.ts
index 4ec19e94fbd1707db6bb42745f60bb9653201df0..78cff827451685325ed053cc171127fa66e97c76 100644
--- a/src/mol-canvas3d/passes/postprocessing.ts
+++ b/src/mol-canvas3d/passes/postprocessing.ts
@@ -506,11 +506,11 @@ export class PostprocessingPass {
const sw = Math.floor(width * this.ssaoScale);
const sh = Math.floor(height * this.ssaoScale);
- const hw = Math.floor(sw * 0.5);
- const hh = Math.floor(sh * 0.5);
+ const hw = Math.max(1, Math.floor(sw * 0.5));
+ const hh = Math.max(1, Math.floor(sh * 0.5));
- const qw = Math.floor(sw * 0.25);
- const qh = Math.floor(sh * 0.25);
+ const qw = Math.max(1, Math.floor(sw * 0.25));
+ const qh = Math.max(1, Math.floor(sh * 0.25));
this.downsampledDepthTarget = drawPass.packedDepth
? webgl.createRenderTarget(sw, sh, false, 'uint8', 'linear', 'rgba')
@@ -562,12 +562,12 @@ export class PostprocessingPass {
this.ssaoDepthTexture.define(sw, sh);
this.ssaoDepthBlurProxyTexture.define(sw, sh);
- const hw = Math.floor(sw * 0.5);
- const hh = Math.floor(sh * 0.5);
+ const hw = Math.max(1, Math.floor(sw * 0.5));
+ const hh = Math.max(1, Math.floor(sh * 0.5));
this.depthHalfTarget.setSize(hw, hh);
- const qw = Math.floor(sw * 0.25);
- const qh = Math.floor(sh * 0.25);
+ const qw = Math.max(1, Math.floor(sw * 0.25));
+ const qh = Math.max(1, Math.floor(sh * 0.25));
this.depthQuarterTarget.setSize(qw, qh);
ValueCell.update(this.renderable.values.uTexSize, Vec2.set(this.renderable.values.uTexSize.ref.value, width, height));
diff --git a/src/mol-gl/_spec/renderer.spec.ts b/src/mol-gl/_spec/renderer.spec.ts
index 40215246c7f01c866d84de66303e1b51db7c4cb9..4842ca9c9407e97059239e3b167f945c3acbbd6f 100644
--- a/src/mol-gl/_spec/renderer.spec.ts
+++ b/src/mol-gl/_spec/renderer.spec.ts
@@ -53,7 +53,7 @@ describe('renderer', () => {
scene.commit();
expect(ctx.stats.resourceCounts.attribute).toBe(ctx.isWebGL2 ? 4 : 5);
expect(ctx.stats.resourceCounts.texture).toBe(9);
- expect(ctx.stats.resourceCounts.vertexArray).toBe(ctx.extensions.vertexArrayObject ? 1 : 0);
+ expect(ctx.stats.resourceCounts.vertexArray).toBe(ctx.extensions.vertexArrayObject ? 6 : 0);
expect(ctx.stats.resourceCounts.program).toBe(6);
expect(ctx.stats.resourceCounts.shader).toBe(12);
diff --git a/src/mol-gl/renderer.ts b/src/mol-gl/renderer.ts
index 46c03c3cab6c529a8a05681ef0a6c9e66385b748..d98294f45feb6f19b329182205f45bd9b2dafc00 100644
--- a/src/mol-gl/renderer.ts
+++ b/src/mol-gl/renderer.ts
@@ -463,7 +463,8 @@ namespace Renderer {
for (let i = 0, il = renderables.length; i < il; ++i) {
const r = renderables[i];
- if (r.values.markerAverage.ref.value !== 1) {
+ const alpha = clamp(r.values.alpha.ref.value * r.state.alphaFactor, 0, 1);
+ if (alpha !== 0 && r.values.markerAverage.ref.value !== 1) {
renderObject(renderables[i], 'marking', Flag.None);
}
}
diff --git a/src/mol-gl/webgl/render-item.ts b/src/mol-gl/webgl/render-item.ts
index 03f99fb5f0e6c9311f49f024468fbb2f17f4dda5..252da58f816b85b579d10981bc867a674230d7c2 100644
--- a/src/mol-gl/webgl/render-item.ts
+++ b/src/mol-gl/webgl/render-item.ts
@@ -144,7 +144,10 @@ export function createRenderItem<T extends string>(ctx: WebGLContext, drawMode:
elementsBuffer = resources.elements(elements.ref.value);
}
- let vertexArray: VertexArray | null = vertexArrayObject ? resources.vertexArray(programs, attributeBuffers, elementsBuffer) : null;
+ const vertexArrays: Record<string, VertexArray | null> = {};
+ for (const k of renderVariants) {
+ vertexArrays[k] = vertexArrayObject ? resources.vertexArray(programs[k], attributeBuffers, elementsBuffer) : null;
+ }
let drawCount: number = values.drawCount.ref.value;
let instanceCount: number = values.instanceCount.ref.value;
@@ -170,6 +173,7 @@ export function createRenderItem<T extends string>(ctx: WebGLContext, drawMode:
program.setUniforms(uniformValueEntries);
program.bindTextures(textures, sharedTexturesCount);
} else {
+ const vertexArray = vertexArrays[variant];
if (program.id !== state.currentProgramId || program.id !== currentProgramId ||
materialId === -1 || materialId !== state.currentMaterialId
) {
@@ -291,9 +295,12 @@ export function createRenderItem<T extends string>(ctx: WebGLContext, drawMode:
}
if (valueChanges.attributes || valueChanges.defines || valueChanges.elements) {
- // console.log('program/defines or buffers changed, update vao');
- if (vertexArray) vertexArray.destroy();
- vertexArray = vertexArrayObject ? resources.vertexArray(programs, attributeBuffers, elementsBuffer) : null;
+ // console.log('program/defines or buffers changed, update vaos');
+ for (const k of renderVariants) {
+ const vertexArray = vertexArrays[k];
+ if (vertexArray) vertexArray.destroy();
+ vertexArrays[k] = vertexArrayObject ? resources.vertexArray(programs[k], attributeBuffers, elementsBuffer) : null;
+ }
}
for (let i = 0, il = textures.length; i < il; ++i) {
@@ -341,8 +348,9 @@ export function createRenderItem<T extends string>(ctx: WebGLContext, drawMode:
if (!destroyed) {
for (const k of renderVariants) {
programs[k].destroy();
+ const vertexArray = vertexArrays[k];
+ if (vertexArray) vertexArray.destroy();
}
- if (vertexArray) vertexArray.destroy();
textures.forEach(([k, texture]) => {
// lifetime of textures with kind 'texture' is defined externally
if (schema[k].kind !== 'texture') texture.destroy();
diff --git a/src/mol-gl/webgl/resources.ts b/src/mol-gl/webgl/resources.ts
index ae036cd3812072870c6d32ed930dc201b9699904..dc75c5d60257aec9511c97926f6b94d6f7dd54fc 100644
--- a/src/mol-gl/webgl/resources.ts
+++ b/src/mol-gl/webgl/resources.ts
@@ -4,7 +4,7 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { ProgramProps, createProgram, Program, Programs } from './program';
+import { ProgramProps, createProgram, Program } from './program';
import { ShaderType, createShader, Shader, ShaderProps } from './shader';
import { GLRenderingContext } from './compat';
import { Framebuffer, createFramebuffer } from './framebuffer';
@@ -60,7 +60,7 @@ export interface WebGLResources {
shader: (type: ShaderType, source: string) => Shader
texture: (kind: TextureKind, format: TextureFormat, type: TextureType, filter: TextureFilter) => Texture,
cubeTexture: (faces: CubeFaces, mipmaps: boolean, onload?: () => void) => Texture,
- vertexArray: (programs: Programs, attributeBuffers: AttributeBuffers, elementsBuffer?: ElementsBuffer) => VertexArray,
+ vertexArray: (program: Program, attributeBuffers: AttributeBuffers, elementsBuffer?: ElementsBuffer) => VertexArray,
getByteCounts: () => ByteCounts
@@ -142,8 +142,8 @@ export function createResources(gl: GLRenderingContext, state: WebGLState, stats
cubeTexture: (faces: CubeFaces, mipmaps: boolean, onload?: () => void) => {
return wrap('cubeTexture', createCubeTexture(gl, faces, mipmaps, onload));
},
- vertexArray: (programs: Programs, attributeBuffers: AttributeBuffers, elementsBuffer?: ElementsBuffer) => {
- return wrap('vertexArray', createVertexArray(gl, extensions, programs, attributeBuffers, elementsBuffer));
+ vertexArray: (program: Program, attributeBuffers: AttributeBuffers, elementsBuffer?: ElementsBuffer) => {
+ return wrap('vertexArray', createVertexArray(gl, extensions, program, attributeBuffers, elementsBuffer));
},
getByteCounts: () => {
diff --git a/src/mol-gl/webgl/vertex-array.ts b/src/mol-gl/webgl/vertex-array.ts
index 966bb4d92ecff088d90cb95ff040d1f92fd67599..1e6eec37943142870432f49bfc734ca0e5f5d3a8 100644
--- a/src/mol-gl/webgl/vertex-array.ts
+++ b/src/mol-gl/webgl/vertex-array.ts
@@ -4,7 +4,7 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { Programs } from './program';
+import { Program } from './program';
import { ElementsBuffer, AttributeBuffers } from './buffer';
import { WebGLExtensions } from './extensions';
import { idFactory } from '../../mol-util/id-factory';
@@ -41,7 +41,7 @@ export interface VertexArray {
destroy: () => void
}
-export function createVertexArray(gl: GLRenderingContext, extensions: WebGLExtensions, programs: Programs, attributeBuffers: AttributeBuffers, elementsBuffer?: ElementsBuffer): VertexArray {
+export function createVertexArray(gl: GLRenderingContext, extensions: WebGLExtensions, program: Program, attributeBuffers: AttributeBuffers, elementsBuffer?: ElementsBuffer): VertexArray {
const id = getNextVertexArrayId();
let vertexArray = getVertexArray(extensions);
let vertexArrayObject = getVertexArrayObject(extensions);
@@ -49,7 +49,7 @@ export function createVertexArray(gl: GLRenderingContext, extensions: WebGLExten
function update() {
vertexArrayObject.bindVertexArray(vertexArray);
if (elementsBuffer) elementsBuffer.bind();
- for (const p of Object.values(programs)) p.bindAttributes(attributeBuffers);
+ program.bindAttributes(attributeBuffers);
vertexArrayObject.bindVertexArray(null);
}
diff --git a/src/mol-io/common/file-handle.ts b/src/mol-io/common/file-handle.ts
index e0b18b39c524a3ad4309400815b6f032aa68b498..724d18d8a382ad8d4f2019aa22f7a877168a009e 100644
--- a/src/mol-io/common/file-handle.ts
+++ b/src/mol-io/common/file-handle.ts
@@ -16,7 +16,7 @@ export interface FileHandle {
* @param position The offset from the beginning of the file from which data should be read.
* @param sizeOrBuffer The buffer the data will be read from.
* @param length The number of bytes to read.
- * @param byteOffset The offset in the buffer at which to start writing.
+ * @param byteOffset The offset in the buffer at which to start reading.
*/
readBuffer(position: number, sizeOrBuffer: SimpleBuffer | number, length?: number, byteOffset?: number): Promise<{ bytesRead: number, buffer: SimpleBuffer }>
diff --git a/src/mol-io/reader/common/text/tokenizer.ts b/src/mol-io/reader/common/text/tokenizer.ts
index 251cced322c6d3b2c2c189173b96da68c7d5661d..45a56a5d57c7776e3bdb77d81ea869b3a77254cb 100644
--- a/src/mol-io/reader/common/text/tokenizer.ts
+++ b/src/mol-io/reader/common/text/tokenizer.ts
@@ -134,7 +134,6 @@ namespace Tokenizer {
/** Advance the state by the given number of lines and return line starts/ends as tokens. */
export async function readLinesAsync(state: Tokenizer, count: number, ctx: RuntimeContext, initialLineCount = 100000): Promise<Tokens> {
- const { length } = state;
const lineTokens = TokenBuilder.create(state.data, count * 2);
let linesAlreadyRead = 0;
@@ -143,7 +142,7 @@ namespace Tokenizer {
readLinesChunk(state, linesToRead, lineTokens);
linesAlreadyRead += linesToRead;
return linesToRead;
- }, (ctx, state) => ctx.update({ message: 'Parsing...', current: state.position, max: length }));
+ }, (ctx, state) => ctx.update({ message: 'Parsing...', current: state.position, max: state.length }));
return lineTokens;
}
@@ -174,7 +173,7 @@ namespace Tokenizer {
await chunkedSubtask(ctx, chunkSize, state, (chunkSize, state) => {
readLinesChunkChecked(state, chunkSize, tokens);
return state.position < state.length ? chunkSize : 0;
- }, (ctx, state) => ctx.update({ message: 'Parsing...', current: state.position, max: length }));
+ }, (ctx, state) => ctx.update({ message: 'Parsing...', current: state.position, max: state.length }));
return tokens;
}
diff --git a/src/mol-math/linear-algebra/3d/mat3.ts b/src/mol-math/linear-algebra/3d/mat3.ts
index 1505ea03574e02bf4c06aed1c95c807b06fe496f..59899d3e3db474ff835951ebd41de0eeed9c3238 100644
--- a/src/mol-math/linear-algebra/3d/mat3.ts
+++ b/src/mol-math/linear-algebra/3d/mat3.ts
@@ -454,6 +454,14 @@ namespace Mat3 {
}
export const Identity: ReadonlyMat3 = identity();
+
+ /** Return the Frobenius inner product of two matrices (= dot product of the flattened matrices).
+ * Can be used as a measure of similarity between two rotation matrices. */
+ export function innerProduct(a: Mat3, b: Mat3) {
+ return a[0] * b[0] + a[1] * b[1] + a[2] * b[2]
+ + a[3] * b[3] + a[4] * b[4] + a[5] * b[5]
+ + a[6] * b[6] + a[7] * b[7] + a[8] * b[8];
+ }
}
export { Mat3 };
\ No newline at end of file
diff --git a/src/mol-model-formats/structure/pdb/header.ts b/src/mol-model-formats/structure/pdb/header.ts
new file mode 100644
index 0000000000000000000000000000000000000000..2b8d78b2b0c9ef284cb0fa989eb5f9e6aad27fc2
--- /dev/null
+++ b/src/mol-model-formats/structure/pdb/header.ts
@@ -0,0 +1,31 @@
+/**
+ * Copyright (c) 2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Yana Rose <yana.v.rose@gmail.com>
+ */
+export type PdbHeaderData = {
+ id_code?: string,
+ dep_date?: string,
+ classification?: string
+};
+
+export function addHeader(data: string, s: number, e: number, header: PdbHeaderData) {
+
+ // COLUMNS DATA TYPE FIELD DEFINITION
+ // ------------------------------------------------------------------------------------
+ // 1 - 6 Record name "HEADER"
+ // 11 - 50 String(40) classification Classifies the molecule(s).
+ // 51 - 59 Date depDate Deposition date. This is the date the
+ // coordinates were received at the PDB.
+ // 63 - 66 IDcode idCode This identifier is unique within the PDB.
+
+ // PDB to PDBx/mmCIF Data Item Correspondences
+ // classification _struct_keywords.pdbx_keywords
+ // depDate _pdbx_database_status.recvd_initial_deposition_date
+ // idCode _entry.id
+
+ const line = data.substring(s, e);
+ header.id_code = line.substring(62, 66).trim() || undefined;
+ header.dep_date = line.substring(50, 59).trim() || undefined;
+ header.classification = line.substring(10, 50).trim() || undefined;
+}
\ No newline at end of file
diff --git a/src/mol-model-formats/structure/pdb/to-cif.ts b/src/mol-model-formats/structure/pdb/to-cif.ts
index 792d5a136d2c45388eba6ca8612803c890c7d32c..99d6184b523f7d663eb546ffaf54e93e1debe76b 100644
--- a/src/mol-model-formats/structure/pdb/to-cif.ts
+++ b/src/mol-model-formats/structure/pdb/to-cif.ts
@@ -3,10 +3,11 @@
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
+ * @author Yana Rose <yana.v.rose@gmail.com>
*/
import { substringStartsWith } from '../../../mol-util/string';
-import { CifCategory, CifFrame } from '../../../mol-io/reader/cif';
+import { CifCategory, CifField, CifFrame } from '../../../mol-io/reader/cif';
import { Tokenizer } from '../../../mol-io/reader/common/text/tokenizer';
import { PdbFile } from '../../../mol-io/reader/pdb/schema';
import { parseCryst1, parseRemark350, parseMtrix } from './assembly';
@@ -20,6 +21,8 @@ import { getAtomSiteTemplate, addAtom, getAtomSite } from './atom-site';
import { addAnisotropic, getAnisotropicTemplate, getAnisotropic } from './anisotropic';
import { parseConect } from './conect';
import { isDebugMode } from '../../../mol-util/debug';
+import { PdbHeaderData, addHeader } from './header';
+import { mmCIF_Schema } from '../../../mol-io/reader/cif/schema/mmcif';
export async function pdbToMmCif(pdb: PdbFile): Promise<CifFrame> {
const { lines } = pdb;
@@ -42,7 +45,7 @@ export async function pdbToMmCif(pdb: PdbFile): Promise<CifFrame> {
break;
}
}
-
+ const header: PdbHeaderData = {};
const atomSite = getAtomSiteTemplate(data, atomCount);
const anisotropic = getAnisotropicTemplate(data, anisotropicCount);
const entityBuilder = new EntityBuilder();
@@ -94,7 +97,9 @@ export async function pdbToMmCif(pdb: PdbFile): Promise<CifFrame> {
}
break;
case 'H':
- if (substringStartsWith(data, s, e, 'HETATM')) {
+ if (substringStartsWith(data, s, e, 'HEADER')) {
+ addHeader(data, s, e, header);
+ } else if (substringStartsWith(data, s, e, 'HETATM')) {
if (!modelNum) { modelNum++; modelStr = '' + modelNum; }
addAtom(atomSite, modelStr, tokenizer, s, e, isPdbqt);
} else if (substringStartsWith(data, s, e, 'HELIX')) {
@@ -169,6 +174,26 @@ export async function pdbToMmCif(pdb: PdbFile): Promise<CifFrame> {
}
}
+ // build entry, struct_keywords and pdbx_database_status
+ if (header.id_code) {
+ const entry: CifCategory.SomeFields<mmCIF_Schema['entry']> = {
+ id: CifField.ofString(header.id_code)
+ };
+ helperCategories.push(CifCategory.ofFields('entry', entry));
+ }
+ if (header.classification) {
+ const struct_keywords: CifCategory.SomeFields<mmCIF_Schema['struct_keywords']> = {
+ pdbx_keywords: CifField.ofString(header.classification)
+ };
+ helperCategories.push(CifCategory.ofFields('struct_keywords', struct_keywords));
+ }
+ if (header.dep_date) {
+ const pdbx_database_status: CifCategory.SomeFields<mmCIF_Schema['pdbx_database_status']> = {
+ recvd_initial_deposition_date: CifField.ofString(header.dep_date)
+ };
+ helperCategories.push(CifCategory.ofFields('pdbx_database_status', pdbx_database_status));
+ }
+
// build entity and chem_comp categories
const seqIds = Column.ofIntTokens(atomSite.auth_seq_id);
const atomIds = Column.ofStringTokens(atomSite.auth_atom_id);
diff --git a/src/mol-model-props/computed/representations/interactions-inter-unit-cylinder.ts b/src/mol-model-props/computed/representations/interactions-inter-unit-cylinder.ts
index 9a0d9164212b5f844665d350b75a970d7621513c..f8d421e8d6fdcc530f5fd8b469a46565546db06a 100644
--- a/src/mol-model-props/computed/representations/interactions-inter-unit-cylinder.ts
+++ b/src/mol-model-props/computed/representations/interactions-inter-unit-cylinder.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2019-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -19,11 +19,13 @@ import { Interval, OrderedSet, SortedArray } from '../../../mol-data/int';
import { Interactions } from '../interactions/interactions';
import { InteractionsProvider } from '../interactions';
import { LocationIterator } from '../../../mol-geo/util/location-iterator';
-import { InteractionFlag } from '../interactions/common';
+import { InteractionFlag, InteractionType } from '../interactions/common';
import { Unit } from '../../../mol-model/structure/structure';
import { Sphere3D } from '../../../mol-math/geometry';
import { assertUnreachable } from '../../../mol-util/type-helpers';
import { InteractionsSharedParams } from './shared';
+import { eachBondedAtom } from '../chemistry/util';
+import { isHydrogen } from '../../../mol-repr/structure/visual/util/common';
function createInterUnitInteractionCylinderMesh(ctx: VisualContext, structure: Structure, theme: Theme, props: PD.Values<InteractionsInterUnitParams>, mesh?: Mesh) {
if (!structure.hasAtomic) return Mesh.createEmpty(mesh);
@@ -33,26 +35,66 @@ function createInterUnitInteractionCylinderMesh(ctx: VisualContext, structure: S
const { contacts, unitsFeatures } = interactions;
const { edgeCount, edges } = contacts;
- const { sizeFactor, parentDisplay } = props;
+ const { sizeFactor, ignoreHydrogens, ignoreHydrogensVariant, parentDisplay } = props;
if (!edgeCount) return Mesh.createEmpty(mesh);
const { child } = structure;
+ const p = Vec3();
+ const pA = Vec3();
+ const pB = Vec3();
const builderProps = {
linkCount: edgeCount,
position: (posA: Vec3, posB: Vec3, edgeIndex: number) => {
- const { unitA, indexA, unitB, indexB } = edges[edgeIndex];
+ const { unitA, indexA, unitB, indexB, props: { type: t } } = edges[edgeIndex];
const fA = unitsFeatures.get(unitA);
const fB = unitsFeatures.get(unitB);
- const uA = structure.unitMap.get(unitA);
- const uB = structure.unitMap.get(unitB);
-
- Vec3.set(posA, fA.x[indexA], fA.y[indexA], fA.z[indexA]);
- Vec3.transformMat4(posA, posA, uA.conformation.operator.matrix);
+ const uA = structure.unitMap.get(unitA) as Unit.Atomic;
+ const uB = structure.unitMap.get(unitB) as Unit.Atomic;
+
+ if ((!ignoreHydrogens || ignoreHydrogensVariant !== 'all') && (
+ t === InteractionType.HydrogenBond || t === InteractionType.WeakHydrogenBond)
+ ) {
+ const idxA = fA.members[fA.offsets[indexA]];
+ const idxB = fB.members[fB.offsets[indexB]];
+ uA.conformation.position(uA.elements[idxA], pA);
+ uB.conformation.position(uB.elements[idxB], pB);
+ let minDistA = Vec3.distance(pA, pB);
+ let minDistB = minDistA;
+ Vec3.copy(posA, pA);
+ Vec3.copy(posB, pB);
+
+ eachBondedAtom(structure, uA, idxA, (u, idx) => {
+ const eI = u.elements[idx];
+ if (isHydrogen(structure, u, eI, 'polar')) {
+ u.conformation.position(eI, p);
+ const dist = Vec3.distance(p, pB);
+ if (dist < minDistA) {
+ minDistA = dist;
+ Vec3.copy(posA, p);
+ }
+ }
+ });
+
+ eachBondedAtom(structure, uB, idxB, (u, idx) => {
+ const eI = u.elements[idx];
+ if (isHydrogen(structure, u, eI, 'polar')) {
+ u.conformation.position(eI, p);
+ const dist = Vec3.distance(p, pA);
+ if (dist < minDistB) {
+ minDistB = dist;
+ Vec3.copy(posB, p);
+ }
+ }
+ });
+ } else {
+ Vec3.set(posA, fA.x[indexA], fA.y[indexA], fA.z[indexA]);
+ Vec3.transformMat4(posA, posA, uA.conformation.operator.matrix);
- Vec3.set(posB, fB.x[indexB], fB.y[indexB], fB.z[indexB]);
- Vec3.transformMat4(posB, posB, uB.conformation.operator.matrix);
+ Vec3.set(posB, fB.x[indexB], fB.y[indexB], fB.z[indexB]);
+ Vec3.transformMat4(posB, posB, uB.conformation.operator.matrix);
+ }
},
style: (edgeIndex: number) => LinkStyle.Dashed,
radius: (edgeIndex: number) => {
@@ -155,6 +197,8 @@ export function InteractionsInterUnitVisual(materialId: number): ComplexVisual<I
newProps.dashScale !== currentProps.dashScale ||
newProps.dashCap !== currentProps.dashCap ||
newProps.radialSegments !== currentProps.radialSegments ||
+ newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
+ newProps.ignoreHydrogensVariant !== currentProps.ignoreHydrogensVariant ||
newProps.parentDisplay !== currentProps.parentDisplay
);
diff --git a/src/mol-model-props/computed/representations/interactions-intra-unit-cylinder.ts b/src/mol-model-props/computed/representations/interactions-intra-unit-cylinder.ts
index e0289f7b75aeffbf37ba01dd2ff02a6194b75172..a21140c29029b0f8df7ce7e6adf744fb956525c0 100644
--- a/src/mol-model-props/computed/representations/interactions-intra-unit-cylinder.ts
+++ b/src/mol-model-props/computed/representations/interactions-intra-unit-cylinder.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2019-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -21,9 +21,11 @@ import { LocationIterator } from '../../../mol-geo/util/location-iterator';
import { Interactions } from '../interactions/interactions';
import { InteractionFlag } from '../interactions/common';
import { Sphere3D } from '../../../mol-math/geometry';
-import { StructureGroup } from '../../../mol-repr/structure/visual/util/common';
+import { StructureGroup, isHydrogen } from '../../../mol-repr/structure/visual/util/common';
import { assertUnreachable } from '../../../mol-util/type-helpers';
import { InteractionsSharedParams } from './shared';
+import { InteractionType } from '../interactions/common';
+import { eachIntraBondedAtom } from '../chemistry/util';
async function createIntraUnitInteractionsCylinderMesh(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: PD.Values<InteractionsIntraUnitParams>, mesh?: Mesh) {
if (!Unit.isAtomic(unit)) return Mesh.createEmpty(mesh);
@@ -39,22 +41,64 @@ async function createIntraUnitInteractionsCylinderMesh(ctx: VisualContext, unit:
const contacts = interactions.unitsContacts.get(unit.id);
const { x, y, z, members, offsets } = features;
- const { edgeCount, a, b, edgeProps: { flag } } = contacts;
- const { sizeFactor, parentDisplay } = props;
+ const { edgeCount, a, b, edgeProps: { flag, type } } = contacts;
+ const { sizeFactor, ignoreHydrogens, ignoreHydrogensVariant, parentDisplay } = props;
if (!edgeCount) return Mesh.createEmpty(mesh);
+ const pos = unit.conformation.invariantPosition;
+ const { elements } = unit;
+ const p = Vec3();
+ const pA = Vec3();
+ const pB = Vec3();
+
const builderProps = {
linkCount: edgeCount * 2,
position: (posA: Vec3, posB: Vec3, edgeIndex: number) => {
- Vec3.set(posA, x[a[edgeIndex]], y[a[edgeIndex]], z[a[edgeIndex]]);
- Vec3.set(posB, x[b[edgeIndex]], y[b[edgeIndex]], z[b[edgeIndex]]);
+ const t = type[edgeIndex];
+ if ((!ignoreHydrogens || ignoreHydrogensVariant !== 'all') && (
+ t === InteractionType.HydrogenBond || t === InteractionType.WeakHydrogenBond)
+ ) {
+ const idxA = members[offsets[a[edgeIndex]]];
+ const idxB = members[offsets[b[edgeIndex]]];
+ pos(elements[idxA], pA);
+ pos(elements[idxB], pB);
+ let minDistA = Vec3.distance(pA, pB);
+ let minDistB = minDistA;
+ Vec3.copy(posA, pA);
+ Vec3.copy(posB, pB);
+
+ eachIntraBondedAtom(unit, idxA, (_, idx) => {
+ if (isHydrogen(structure, unit, elements[idx], 'polar')) {
+ pos(elements[idx], p);
+ const dist = Vec3.distance(p, pB);
+ if (dist < minDistA) {
+ minDistA = dist;
+ Vec3.copy(posA, p);
+ }
+ }
+ });
+
+ eachIntraBondedAtom(unit, idxB, (_, idx) => {
+ if (isHydrogen(structure, unit, elements[idx], 'polar')) {
+ pos(elements[idx], p);
+ const dist = Vec3.distance(p, pA);
+ if (dist < minDistB) {
+ minDistB = dist;
+ Vec3.copy(posB, p);
+ }
+ }
+ });
+ } else {
+ Vec3.set(posA, x[a[edgeIndex]], y[a[edgeIndex]], z[a[edgeIndex]]);
+ Vec3.set(posB, x[b[edgeIndex]], y[b[edgeIndex]], z[b[edgeIndex]]);
+ }
},
style: (edgeIndex: number) => LinkStyle.Dashed,
radius: (edgeIndex: number) => {
- location.element = unit.elements[members[offsets[a[edgeIndex]]]];
+ location.element = elements[members[offsets[a[edgeIndex]]]];
const sizeA = theme.size.size(location);
- location.element = unit.elements[members[offsets[b[edgeIndex]]]];
+ location.element = elements[members[offsets[b[edgeIndex]]]];
const sizeB = theme.size.size(location);
return Math.min(sizeA, sizeB) * sizeFactor;
},
@@ -65,7 +109,7 @@ async function createIntraUnitInteractionsCylinderMesh(ctx: VisualContext, unit:
if (parentDisplay === 'stub') {
const f = a[edgeIndex];
for (let i = offsets[f], il = offsets[f + 1]; i < il; ++i) {
- const e = unit.elements[members[offsets[i]]];
+ const e = elements[members[offsets[i]]];
if (!SortedArray.has(childUnit.elements, e)) return true;
}
} else if (parentDisplay === 'full' || parentDisplay === 'between') {
@@ -74,13 +118,13 @@ async function createIntraUnitInteractionsCylinderMesh(ctx: VisualContext, unit:
const fA = a[edgeIndex];
for (let i = offsets[fA], il = offsets[fA + 1]; i < il; ++i) {
- const eA = unit.elements[members[offsets[i]]];
+ const eA = elements[members[offsets[i]]];
if (!SortedArray.has(childUnit.elements, eA)) flagA = true;
}
const fB = b[edgeIndex];
for (let i = offsets[fB], il = offsets[fB + 1]; i < il; ++i) {
- const eB = unit.elements[members[offsets[i]]];
+ const eB = elements[members[offsets[i]]];
if (!SortedArray.has(childUnit.elements, eB)) flagB = true;
}
@@ -127,6 +171,8 @@ export function InteractionsIntraUnitVisual(materialId: number): UnitsVisual<Int
newProps.dashScale !== currentProps.dashScale ||
newProps.dashCap !== currentProps.dashCap ||
newProps.radialSegments !== currentProps.radialSegments ||
+ newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
+ newProps.ignoreHydrogensVariant !== currentProps.ignoreHydrogensVariant ||
newProps.parentDisplay !== currentProps.parentDisplay
);
diff --git a/src/mol-model-props/computed/representations/shared.ts b/src/mol-model-props/computed/representations/shared.ts
index c49effa27d37aa1bec1706710425791d32367036..3ab1b0b6324d78ce627a33f36f0d73a5eae33d80 100644
--- a/src/mol-model-props/computed/representations/shared.ts
+++ b/src/mol-model-props/computed/representations/shared.ts
@@ -11,6 +11,8 @@ export const InteractionsSharedParams = {
sizeFactor: PD.Numeric(0.3, { min: 0, max: 10, step: 0.01 }),
dashCount: PD.Numeric(6, { min: 1, max: 10, step: 1 }),
dashScale: PD.Numeric(0.4, { min: 0, max: 2, step: 0.1 }),
+ ignoreHydrogens: PD.Boolean(false),
+ ignoreHydrogensVariant: PD.Select('all', PD.arrayToOptions(['all', 'non-polar'] as const)),
includeParent: PD.Boolean(false),
parentDisplay: PD.Select('stub', PD.arrayToOptions(['stub', 'full', 'between'] as const), { description: 'Only has an effect when "includeParent" is enabled. "Stub" shows just the child side of interactions to the parent. "Full" shows both sides of interactions to the parent. "Between" shows only interactions to the parent.' }),
};
diff --git a/src/mol-model/structure/model/types.ts b/src/mol-model/structure/model/types.ts
index 2643c4d8f4b6de985d85d35676daf64ee02fd828..31c1cab3cbbdb0b54b19e358d53fbe531938c793 100644
--- a/src/mol-model/structure/model/types.ts
+++ b/src/mol-model/structure/model/types.ts
@@ -252,7 +252,7 @@ export const AminoAcidNamesL = new Set([
'HIS', 'ARG', 'LYS', 'ILE', 'PHE', 'LEU', 'TRP', 'ALA', 'MET', 'PRO', 'CYS',
'ASN', 'VAL', 'GLY', 'SER', 'GLN', 'TYR', 'ASP', 'GLU', 'THR', 'SEC', 'PYL',
'UNK', // unknown amino acid from CCD
- 'MSE', 'SEP', 'TPO', 'PTR', 'PCA', // common from CCD
+ 'MSE', 'SEP', 'TPO', 'PTR', 'PCA', 'HYP', // common from CCD
// charmm ff
'HSD', 'HSE', 'HSP', 'LSN', 'ASPP', 'GLUP',
diff --git a/src/mol-model/structure/structure/element/location.ts b/src/mol-model/structure/structure/element/location.ts
index 2843e5a0d1a6d42e948d26ac0f01f71f5d886cf2..9181bfbec17af2f2b503d1e92ba39c05e86f618c 100644
--- a/src/mol-model/structure/structure/element/location.ts
+++ b/src/mol-model/structure/structure/element/location.ts
@@ -55,13 +55,17 @@ namespace Location {
return a.unit === b.unit && a.element === b.element;
}
- const pA = Vec3.zero(), pB = Vec3.zero();
+ const pA = Vec3(), pB = Vec3();
export function distance(a: Location, b: Location) {
a.unit.conformation.position(a.element, pA);
b.unit.conformation.position(b.element, pB);
return Vec3.distance(pA, pB);
}
+ export function position(out: Vec3, l: Location): Vec3 {
+ return l.unit.conformation.position(l.element, out);
+ }
+
export function residueIndex(l: Location) {
return l.unit.model.atomicHierarchy.residueAtomSegments.index[l.element];
}
diff --git a/src/mol-model/structure/structure/element/loci.ts b/src/mol-model/structure/structure/element/loci.ts
index 60c7a9436449e38c46cd7877bb83b4947636e9b0..9fefd8d8f0c17592ce0c242e97c0b2fdc047b775 100644
--- a/src/mol-model/structure/structure/element/loci.ts
+++ b/src/mol-model/structure/structure/element/loci.ts
@@ -148,7 +148,7 @@ export namespace Loci {
* The loc argument of the callback is mutable, use Location.clone() if you intend to keep
* the value around.
*/
- export function forEachLocation(loci: Loci, f: (loc: Location) => any) {
+ export function forEachLocation(loci: Loci, f: (loc: Location) => void) {
if (Loci.isEmpty(loci)) return;
const location = Location.create(loci.structure);
diff --git a/src/mol-model/structure/structure/structure.ts b/src/mol-model/structure/structure/structure.ts
index e42d697cc127f7832100787a02b96c101453fd28..33324a2f7661a3f55a83787434977e145c8065b6 100644
--- a/src/mol-model/structure/structure/structure.ts
+++ b/src/mol-model/structure/structure/structure.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -1225,8 +1225,10 @@ namespace Structure {
const closeUnits = lookup.findUnitIndices(imageCenter[0], imageCenter[1], imageCenter[2], bs.radius + maxRadius);
for (let i = 0; i < closeUnits.count; i++) {
const other = structure.units[closeUnits.indices[i]];
+ if (unit.id >= other.id) continue;
+
if (other.elements.length > 3 && !Box3D.overlaps(bbox, other.boundary.box)) continue;
- if (!validUnit(other) || unit.id >= other.id || !validUnitPair(unit, other)) continue;
+ if (!validUnit(other) || !validUnitPair(unit, other)) continue;
if (other.elements.length >= unit.elements.length) callback(unit, other);
else callback(other, unit);
diff --git a/src/mol-model/structure/structure/unit/bonds/inter-compute.ts b/src/mol-model/structure/structure/unit/bonds/inter-compute.ts
index 69f51afb6240cc719a83338a62fda29a821b91a0..1a8603945776d17e39c65d4a4fde46c1a4b8c11e 100644
--- a/src/mol-model/structure/structure/unit/bonds/inter-compute.ts
+++ b/src/mol-model/structure/structure/unit/bonds/inter-compute.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2017-2022 Mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2023 Mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -243,6 +243,11 @@ function computeInterUnitBonds(structure: Structure, props?: Partial<InterBondCo
...p,
validUnit: (props && props.validUnit) || (u => Unit.isAtomic(u)),
validUnitPair: (props && props.validUnitPair) || ((s, a, b) => {
+ // In case both units have a struct conn record, ignore other criteria
+ if (hasCommonStructConnRecord(a, b)) {
+ return Structure.validUnitPair(s, a, b);
+ }
+
const mtA = a.model.atomicHierarchy.derived.residue.moleculeType;
const mtB = b.model.atomicHierarchy.derived.residue.moleculeType;
const notWater = (
@@ -250,25 +255,34 @@ function computeInterUnitBonds(structure: Structure, props?: Partial<InterBondCo
(!Unit.isAtomic(b) || mtB[b.residueIndex[b.elements[0]]] !== MoleculeType.Water)
);
- const sameModel = a.model === b.model;
- const notIonA = (!Unit.isAtomic(a) || mtA[a.residueIndex[a.elements[0]]] !== MoleculeType.Ion) || (sameModel && hasStructConnRecord(a));
- const notIonB = (!Unit.isAtomic(b) || mtB[b.residueIndex[b.elements[0]]] !== MoleculeType.Ion) || (sameModel && hasStructConnRecord(b));
+ const notIonA = (!Unit.isAtomic(a) || mtA[a.residueIndex[a.elements[0]]] !== MoleculeType.Ion);
+ const notIonB = (!Unit.isAtomic(b) || mtB[b.residueIndex[b.elements[0]]] !== MoleculeType.Ion);
const notIon = notIonA && notIonB;
return Structure.validUnitPair(s, a, b) && (notWater || !p.ignoreWater) && (notIon || !p.ignoreIon);
}),
});
}
-function hasStructConnRecord(unit: Unit) {
- if (!Unit.isAtomic(unit)) return false;
+function hasCommonStructConnRecord(unitA: Unit, unitB: Unit) {
+ if (unitA.model !== unitB.model || !Unit.isAtomic(unitA) || !Unit.isAtomic(unitB)) return false;
+ const structConn = StructConn.Provider.get(unitA.model);
+ if (!structConn) return false;
- const elements = unit.elements;
- const structConn = StructConn.Provider.get(unit.model);
- if (structConn) {
- for (let i = 0, _i = elements.length; i < _i; i++) {
- if (structConn.byAtomIndex.get(elements[i])) {
- return true;
- }
+ const smaller = unitA.elements.length < unitB.elements.length ? unitA : unitB;
+ const bigger = unitA.elements.length >= unitB.elements.length ? unitA : unitB;
+
+ const { elements: xs } = smaller;
+ const { elements: ys } = bigger;
+ const { indexOf } = SortedArray;
+
+ for (let i = 0, _i = xs.length; i < _i; i++) {
+ const aI = xs[i];
+ const entries = structConn.byAtomIndex.get(aI);
+ if (!entries?.length) continue;
+
+ for (const e of entries) {
+ const bI = e.partnerA.atomIndex === aI ? e.partnerB.atomIndex : e.partnerA.atomIndex;
+ if (indexOf(ys, bI) >= 0) return true;
}
}
return false;
diff --git a/src/mol-plugin-state/actions/file.ts b/src/mol-plugin-state/actions/file.ts
index ee81b0793d6aae3808e1a467f75ab1fc00393dfe..24e01503ad6b8433d4764d1eb028e3e595d3a4ed 100644
--- a/src/mol-plugin-state/actions/file.ts
+++ b/src/mol-plugin-state/actions/file.ts
@@ -8,13 +8,13 @@ import { PluginContext } from '../../mol-plugin/context';
import { StateAction } from '../../mol-state';
import { Task } from '../../mol-task';
import { Asset } from '../../mol-util/assets';
-import { getFileInfo } from '../../mol-util/file-info';
+import { getFileNameInfo } from '../../mol-util/file-info';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { unzip } from '../../mol-util/zip/zip';
import { PluginStateObject } from '../objects';
async function processFile(file: Asset.File, plugin: PluginContext, format: string, visuals: boolean) {
- const info = getFileInfo(file.file!);
+ const info = getFileNameInfo(file.file?.name ?? '');
const isBinary = plugin.dataFormats.binaryExtensions.has(info.ext);
const { data } = await plugin.builders.data.readFile({ file, isBinary });
const provider = format === 'auto'
@@ -111,8 +111,8 @@ export const DownloadFile = StateAction.build({
}
} else {
const url = Asset.getUrl(params.url);
- const info = getFileInfo(url);
- await processFile(Asset.File(new File([data.obj?.data as Uint8Array], info.name)), plugin, 'auto', params.visuals);
+ const fileName = getFileNameInfo(url).name;
+ await processFile(Asset.File(new File([data.obj?.data as Uint8Array], fileName)), plugin, 'auto', params.visuals);
}
} else {
const provider = plugin.dataFormats.get(params.format);
diff --git a/src/mol-plugin-state/actions/structure.ts b/src/mol-plugin-state/actions/structure.ts
index 61765b5a22b2ebc3d3b3592e98c5f0a48357fd20..b123cec15b73bb89c0b697a31ccbef4547cd4e90 100644
--- a/src/mol-plugin-state/actions/structure.ts
+++ b/src/mol-plugin-state/actions/structure.ts
@@ -18,7 +18,7 @@ import { Download } from '../transforms/data';
import { CustomModelProperties, CustomStructureProperties, ModelFromTrajectory, TrajectoryFromModelAndCoordinates } from '../transforms/model';
import { Asset } from '../../mol-util/assets';
import { PluginConfig } from '../../mol-plugin/config';
-import { getFileInfo } from '../../mol-util/file-info';
+import { getFileNameInfo } from '../../mol-util/file-info';
import { assertUnreachable } from '../../mol-util/type-helpers';
import { TopologyFormatCategory } from '../formats/topology';
import { CoordinatesFormatCategory } from '../formats/coordinates';
@@ -184,7 +184,7 @@ const DownloadStructure = StateAction.build({
for (const download of downloadParams) {
const data = await plugin.builders.data.download(download, { state: { isGhost: true } });
const provider = format === 'auto'
- ? plugin.dataFormats.auto(getFileInfo(Asset.getUrl(download.url)), data.cell?.obj!)
+ ? plugin.dataFormats.auto(getFileNameInfo(Asset.getUrl(download.url)), data.cell?.obj!)
: plugin.dataFormats.get(format);
if (!provider) throw new Error('unknown file format');
const trajectory = await plugin.builders.structure.parseTrajectory(data, provider);
@@ -385,7 +385,7 @@ export const LoadTrajectory = StateAction.build({
const processFile = async (file: Asset.File | null) => {
if (!file) throw new Error('No file selected');
- const info = getFileInfo(file.file!);
+ const info = getFileNameInfo(file.file?.name ?? '');
const isBinary = ctx.dataFormats.binaryExtensions.has(info.ext);
const { data } = await ctx.builders.data.readFile({ file, isBinary });
const provider = ctx.dataFormats.auto(info, data.cell?.obj!);
diff --git a/src/mol-plugin-state/actions/volume.ts b/src/mol-plugin-state/actions/volume.ts
index fad2beeca7da71321ecb2c52eadb3d0e711759f8..750509ba7a07ab1d280b7c3e943322ab14ea2ff8 100644
--- a/src/mol-plugin-state/actions/volume.ts
+++ b/src/mol-plugin-state/actions/volume.ts
@@ -8,7 +8,7 @@
import { PluginContext } from '../../mol-plugin/context';
import { StateAction, StateTransformer, StateSelection } from '../../mol-state';
import { Task } from '../../mol-task';
-import { getFileInfo } from '../../mol-util/file-info';
+import { getFileNameInfo } from '../../mol-util/file-info';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { PluginStateObject } from '../objects';
import { Download } from '../transforms/data';
@@ -119,7 +119,7 @@ const DownloadDensity = StateAction.build({
switch (src.name) {
case 'url':
downloadParams = src.params;
- provider = src.params.format === 'auto' ? plugin.dataFormats.auto(getFileInfo(Asset.getUrl(downloadParams.url)), data.cell?.obj!) : plugin.dataFormats.get(src.params.format);
+ provider = src.params.format === 'auto' ? plugin.dataFormats.auto(getFileNameInfo(Asset.getUrl(downloadParams.url)), data.cell?.obj!) : plugin.dataFormats.get(src.params.format);
break;
case 'pdb-xray':
entryId = src.params.provider.id;
diff --git a/src/mol-plugin-state/builder/data.ts b/src/mol-plugin-state/builder/data.ts
index 16dec53c0615b67b0905c22e99970edb865874f2..b57cb0fe960104457cb821e2366ff2ffbc8dfb2f 100644
--- a/src/mol-plugin-state/builder/data.ts
+++ b/src/mol-plugin-state/builder/data.ts
@@ -7,7 +7,7 @@
import { StateTransformer, StateTransform } from '../../mol-state';
import { PluginContext } from '../../mol-plugin/context';
import { Download, ReadFile, DownloadBlob, RawData } from '../transforms/data';
-import { getFileInfo } from '../../mol-util/file-info';
+import { getFileNameInfo } from '../../mol-util/file-info';
export class DataBuilder {
private get dataState() {
@@ -31,7 +31,7 @@ export class DataBuilder {
async readFile(params: StateTransformer.Params<ReadFile>, options?: Partial<StateTransform.Options>) {
const data = await this.dataState.build().toRoot().apply(ReadFile, params, options).commit({ revertOnError: true });
- const fileInfo = getFileInfo(params.file?.file || '');
+ const fileInfo = getFileNameInfo(params.file?.file?.name ?? '');
return { data: data, fileInfo };
}
diff --git a/src/mol-plugin-state/formats/provider.ts b/src/mol-plugin-state/formats/provider.ts
index 6fe0bed66998cbfb2f99ccefdcd4e9cf2be566f7..dc916cdf6f6f4f57fb7c982a98e07a1da77a010c 100644
--- a/src/mol-plugin-state/formats/provider.ts
+++ b/src/mol-plugin-state/formats/provider.ts
@@ -8,7 +8,7 @@
import { decodeMsgPack } from '../../mol-io/common/msgpack/decode';
import { PluginContext } from '../../mol-plugin/context';
import { StateObjectRef } from '../../mol-state';
-import { FileInfo } from '../../mol-util/file-info';
+import { FileNameInfo } from '../../mol-util/file-info';
import { PluginStateObject } from '../objects';
export interface DataFormatProvider<P = any, R = any, V = any> {
@@ -17,7 +17,7 @@ export interface DataFormatProvider<P = any, R = any, V = any> {
category?: string,
stringExtensions?: string[],
binaryExtensions?: string[],
- isApplicable?(info: FileInfo, data: string | Uint8Array): boolean,
+ isApplicable?(info: FileNameInfo, data: string | Uint8Array): boolean,
parse(plugin: PluginContext, data: StateObjectRef<PluginStateObject.Data.Binary | PluginStateObject.Data.String>, params?: P): Promise<R>,
visuals?(plugin: PluginContext, data: R): Promise<V> | undefined
}
@@ -25,7 +25,7 @@ export interface DataFormatProvider<P = any, R = any, V = any> {
export function DataFormatProvider<P extends DataFormatProvider>(provider: P): P { return provider; }
type cifVariants = 'dscif' | 'segcif' | 'coreCif' | -1
-export function guessCifVariant(info: FileInfo, data: Uint8Array | string): cifVariants {
+export function guessCifVariant(info: FileNameInfo, data: Uint8Array | string): cifVariants {
if (info.ext === 'bcif') {
try {
// TODO: find a way to run msgpackDecode only once
diff --git a/src/mol-plugin-state/formats/registry.ts b/src/mol-plugin-state/formats/registry.ts
index 090ce3f321635fc345a5542e6db394658fb1c49a..326f9093344a67685f41bd197955bb779739008b 100644
--- a/src/mol-plugin-state/formats/registry.ts
+++ b/src/mol-plugin-state/formats/registry.ts
@@ -5,7 +5,7 @@
* @author David Sehnal <david.sehnal@gmail.com>
*/
-import { FileInfo } from '../../mol-util/file-info';
+import { FileNameInfo } from '../../mol-util/file-info';
import { PluginStateObject } from '../objects';
import { DataFormatProvider } from './provider';
import { BuiltInTrajectoryFormats } from './trajectory';
@@ -78,7 +78,7 @@ export class DataFormatRegistry {
this._map.delete(name);
}
- auto(info: FileInfo, dataStateObject: PluginStateObject.Data.Binary | PluginStateObject.Data.String) {
+ auto(info: FileNameInfo, dataStateObject: PluginStateObject.Data.Binary | PluginStateObject.Data.String) {
for (let i = 0, il = this.list.length; i < il; ++i) {
const p = this._list[i].provider;
diff --git a/src/mol-plugin-state/manager/camera.ts b/src/mol-plugin-state/manager/camera.ts
index 60dbc65c247b6080f5b3baa1801ea83d64474f2e..12592da0794fb3f412cd5521d9ea33bd315f25e8 100644
--- a/src/mol-plugin-state/manager/camera.ts
+++ b/src/mol-plugin-state/manager/camera.ts
@@ -4,18 +4,22 @@
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author Ke Ma <mark.ma@rcsb.org>
+ * @author Adam Midlik <midlik@gmail.com>
*/
-import { Sphere3D } from '../../mol-math/geometry';
-import { PluginContext } from '../../mol-plugin/context';
-import { PrincipalAxes } from '../../mol-math/linear-algebra/matrix/principal-axes';
import { Camera } from '../../mol-canvas3d/camera';
-import { Loci } from '../../mol-model/loci';
-import { BoundaryHelper } from '../../mol-math/geometry/boundary-helper';
import { GraphicsRenderObject } from '../../mol-gl/render-object';
-import { StructureElement } from '../../mol-model/structure';
+import { Sphere3D } from '../../mol-math/geometry';
+import { BoundaryHelper } from '../../mol-math/geometry/boundary-helper';
+import { Mat3 } from '../../mol-math/linear-algebra';
import { Vec3 } from '../../mol-math/linear-algebra/3d/vec3';
+import { PrincipalAxes } from '../../mol-math/linear-algebra/matrix/principal-axes';
+import { Loci } from '../../mol-model/loci';
+import { Structure, StructureElement } from '../../mol-model/structure';
+import { PluginContext } from '../../mol-plugin/context';
+import { PluginStateObject } from '../objects';
import { pcaFocus } from './focus-camera/focus-first-residue';
+import { changeCameraRotation, structureLayingTransform } from './focus-camera/orient-axes';
// TODO: make this customizable somewhere?
const DefaultCameraFocusOptions = {
@@ -125,6 +129,26 @@ export class CameraManager {
}
}
+ /** Align PCA axes of `structures` (default: all loaded structures) to the screen axes. */
+ orientAxes(structures?: Structure[], durationMs?: number) {
+ if (!this.plugin.canvas3d) return;
+ if (!structures) {
+ const structCells = this.plugin.state.data.selectQ(q => q.ofType(PluginStateObject.Molecule.Structure));
+ const rootStructCells = structCells.filter(cell => cell.obj && !cell.transform.transformer.definition.isDecorator && !cell.obj.data.parent);
+ structures = rootStructCells.map(cell => cell.obj?.data).filter(struct => !!struct) as Structure[];
+ }
+ const { rotation } = structureLayingTransform(structures);
+ const newSnapshot = changeCameraRotation(this.plugin.canvas3d.camera.getSnapshot(), rotation);
+ this.setSnapshot(newSnapshot, durationMs);
+ }
+
+ /** Align Cartesian axes to the screen axes (X right, Y up). */
+ resetAxes(durationMs?: number) {
+ if (!this.plugin.canvas3d) return;
+ const newSnapshot = changeCameraRotation(this.plugin.canvas3d.camera.getSnapshot(), Mat3.Identity);
+ this.setSnapshot(newSnapshot, durationMs);
+ }
+
setSnapshot(snapshot: Partial<Camera.Snapshot>, durationMs?: number) {
// TODO: setState and requestCameraReset are very similar now: unify them?
this.plugin.canvas3d?.requestCameraReset({ snapshot, durationMs });
diff --git a/src/mol-plugin-state/manager/focus-camera/orient-axes.ts b/src/mol-plugin-state/manager/focus-camera/orient-axes.ts
new file mode 100644
index 0000000000000000000000000000000000000000..1f6cd25ddc776f0b2d39815b775e398dacb3f417
--- /dev/null
+++ b/src/mol-plugin-state/manager/focus-camera/orient-axes.ts
@@ -0,0 +1,218 @@
+/**
+ * Copyright (c) 2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Adam Midlik <midlik@gmail.com>
+ */
+
+import { Camera } from '../../../mol-canvas3d/camera';
+import { Mat3, Vec3 } from '../../../mol-math/linear-algebra';
+import { PrincipalAxes } from '../../../mol-math/linear-algebra/matrix/principal-axes';
+import { Structure, StructureElement, StructureProperties } from '../../../mol-model/structure';
+
+
+/** Minimum number of atoms necessary for running PCA.
+ * If enough atoms cannot be selected, XYZ axes will be used instead of PCA axes. */
+const MIN_ATOMS_FOR_PCA = 3;
+
+/** Rotation matrices for the basic rotations by 90 degrees */
+export const ROTATION_MATRICES = {
+ // The order of elements in the matrices in column-wise (F-style)
+ identity: Mat3.create(1, 0, 0, 0, 1, 0, 0, 0, 1),
+ rotX90: Mat3.create(1, 0, 0, 0, 0, 1, 0, -1, 0),
+ rotY90: Mat3.create(0, 0, -1, 0, 1, 0, 1, 0, 0),
+ rotZ90: Mat3.create(0, 1, 0, -1, 0, 0, 0, 0, 1),
+ rotX270: Mat3.create(1, 0, 0, 0, 0, -1, 0, 1, 0),
+ rotY270: Mat3.create(0, 0, 1, 0, 1, 0, -1, 0, 0),
+ rotZ270: Mat3.create(0, -1, 0, 1, 0, 0, 0, 0, 1),
+ rotX180: Mat3.create(1, 0, 0, 0, -1, 0, 0, 0, -1),
+ rotY180: Mat3.create(-1, 0, 0, 0, 1, 0, 0, 0, -1),
+ rotZ180: Mat3.create(-1, 0, 0, 0, -1, 0, 0, 0, 1),
+};
+
+
+/** Return transformation which will align the PCA axes of an atomic structure
+ * (or multiple structures) to the Cartesian axes x, y, z
+ * (transformed = rotation * (coords - origin)).
+ *
+ * There are always 4 equally good rotations to do this (4 flips).
+ * If `referenceRotation` is provided, select the one nearest to `referenceRotation`.
+ * Otherwise use arbitrary rules to ensure the orientation after transform does not depend on the original orientation.
+ */
+export function structureLayingTransform(structures: Structure[], referenceRotation?: Mat3): { rotation: Mat3, origin: Vec3 } {
+ const coords = smartSelectCoords(structures, MIN_ATOMS_FOR_PCA);
+ return layingTransform(coords, referenceRotation);
+}
+
+/** Return transformation which will align the PCA axes of a sequence
+ * of points to the Cartesian axes x, y, z
+ * (transformed = rotation * (coords - origin)).
+ *
+ * `coords` is a flattened array of 3D coordinates (i.e. the first 3 values are x, y, and z of the first point etc.).
+ *
+ * There are always 4 equally good rotations to do this (4 flips).
+ * If `referenceRotation` is provided, select the one nearest to `referenceRotation`.
+ * Otherwise use arbitrary rules to ensure the orientation after transform does not depend on the original orientation.
+ */
+export function layingTransform(coords: number[], referenceRotation?: Mat3): { rotation: Mat3, origin: Vec3 } {
+ if (coords.length === 0) {
+ console.warn('Skipping PCA, no atoms');
+ return { rotation: ROTATION_MATRICES.identity, origin: Vec3.zero() };
+ }
+ const axes = PrincipalAxes.calculateMomentsAxes(coords);
+ const normAxes = PrincipalAxes.calculateNormalizedAxes(axes);
+ const R = mat3FromRows(normAxes.dirA, normAxes.dirB, normAxes.dirC);
+ avoidMirrorRotation(R); // The SVD implementation seems to always provide proper rotation, but just to be sure
+ const flip = referenceRotation ? minimalFlip(R, referenceRotation) : canonicalFlip(coords, R, axes.origin);
+ Mat3.mul(R, flip, R);
+ return { rotation: R, origin: normAxes.origin };
+}
+
+/** Try these selection strategies until having at least `minAtoms` atoms:
+ * 1. only trace atoms (e.g. C-alpha and O3')
+ * 2. all non-hydrogen atoms with exception of water (HOH)
+ * 3. all atoms
+ * Return the coordinates in a flattened array (in triples).
+ * If the total number of atoms is less than `minAtoms`, return only those. */
+function smartSelectCoords(structures: Structure[], minAtoms: number): number[] {
+ let coords: number[];
+ coords = selectCoords(structures, { onlyTrace: true });
+ if (coords.length >= 3 * minAtoms) return coords;
+
+ coords = selectCoords(structures, { skipHydrogens: true, skipWater: true });
+ if (coords.length >= 3 * minAtoms) return coords;
+
+ coords = selectCoords(structures, {});
+ return coords;
+}
+
+/** Select coordinates of atoms in `structures` as a flattened array (in triples).
+ * If `onlyTrace`, include only trace atoms (CA, O3');
+ * if `skipHydrogens`, skip all hydrogen atoms;
+ * if `skipWater`, skip all water residues. */
+function selectCoords(structures: Structure[], options: { onlyTrace?: boolean, skipHydrogens?: boolean, skipWater?: boolean }): number[] {
+ const { onlyTrace, skipHydrogens, skipWater } = options;
+ const { x, y, z, type_symbol, label_comp_id } = StructureProperties.atom;
+ const coords: number[] = [];
+ for (const struct of structures) {
+ const loc = StructureElement.Location.create(struct);
+ for (const unit of struct.units) {
+ loc.unit = unit;
+ const elements = onlyTrace ? unit.polymerElements : unit.elements;
+ for (let i = 0; i < elements.length; i++) {
+ loc.element = elements[i];
+ if (skipHydrogens && type_symbol(loc) === 'H') continue;
+ if (skipWater && label_comp_id(loc) === 'HOH') continue;
+ coords.push(x(loc), y(loc), z(loc));
+ }
+ }
+ }
+ return coords;
+}
+
+/** Return a flip around XYZ axes which minimizes the difference between flip*rotation and referenceRotation. */
+function minimalFlip(rotation: Mat3, referenceRotation: Mat3): Mat3 {
+ let bestFlip = ROTATION_MATRICES.identity;
+ let bestScore = 0; // there will always be at least one positive score
+ const aux = Mat3();
+ for (const flip of [ROTATION_MATRICES.identity, ROTATION_MATRICES.rotX180, ROTATION_MATRICES.rotY180, ROTATION_MATRICES.rotZ180]) {
+ const score = Mat3.innerProduct(Mat3.mul(aux, flip, rotation), referenceRotation);
+ if (score > bestScore) {
+ bestFlip = flip;
+ bestScore = score;
+ }
+ }
+ return bestFlip;
+}
+
+/** Return a rotation matrix (flip) that should be applied to `coords` (after being rotated by `rotation`)
+ * to ensure a deterministic "canonical" rotation.
+ * There are 4 flips to choose from (one identity and three 180-degree rotations around the X, Y, and Z axes).
+ * One of these 4 possible results is selected so that:
+ * 1) starting and ending coordinates tend to be more in front (z > 0), middle more behind (z < 0).
+ * 2) starting coordinates tend to be more left-top (x < y), ending more right-bottom (x > y).
+ * These rules are arbitrary, but try to avoid ties for at least some basic symmetries.
+ * Provided `origin` parameter MUST be the mean of the coordinates, otherwise it will not work!
+ */
+function canonicalFlip(coords: number[], rotation: Mat3, origin: Vec3): Mat3 {
+ const pcaX = Vec3.create(Mat3.getValue(rotation, 0, 0), Mat3.getValue(rotation, 0, 1), Mat3.getValue(rotation, 0, 2));
+ const pcaY = Vec3.create(Mat3.getValue(rotation, 1, 0), Mat3.getValue(rotation, 1, 1), Mat3.getValue(rotation, 1, 2));
+ const pcaZ = Vec3.create(Mat3.getValue(rotation, 2, 0), Mat3.getValue(rotation, 2, 1), Mat3.getValue(rotation, 2, 2));
+ const n = Math.floor(coords.length / 3);
+ const v = Vec3();
+ let xCum = 0;
+ let yCum = 0;
+ let zCum = 0;
+ for (let i = 0; i < n; i++) {
+ Vec3.fromArray(v, coords, 3 * i);
+ Vec3.sub(v, v, origin);
+ xCum += i * Vec3.dot(v, pcaX);
+ yCum += i * Vec3.dot(v, pcaY);
+ zCum += veeSlope(i, n) * Vec3.dot(v, pcaZ);
+ // Thanks to subtracting `origin` from `coords` the slope functions `i` and `veeSlope(i, n)`
+ // don't have to have zero sum (can be shifted up or down):
+ // sum{(slope[i]+shift)*(coords[i]-origin).PCA} =
+ // = sum{slope[i]*coords[i].PCA - slope[i]*origin.PCA + shift*coords[i].PCA - shift*origin.PCA} =
+ // = sum{slope[i]*(coords[i]-origin).PCA} + shift*sum{coords[i]-origin}.PCA =
+ // = sum{slope[i]*(coords[i]-origin).PCA}
+ }
+ const wrongFrontBack = zCum < 0;
+ const wrongLeftTopRightBottom = wrongFrontBack ? xCum + yCum < 0 : xCum - yCum < 0;
+ if (wrongLeftTopRightBottom && wrongFrontBack) {
+ return ROTATION_MATRICES.rotY180; // flip around Y = around X then Z
+ } else if (wrongFrontBack) {
+ return ROTATION_MATRICES.rotX180; // flip around X
+ } else if (wrongLeftTopRightBottom) {
+ return ROTATION_MATRICES.rotZ180; // flip around Z
+ } else {
+ return ROTATION_MATRICES.identity; // do not flip
+ }
+}
+
+/** Auxiliary function defined for i in [0, n), linearly decreasing from 0 to n/2
+ * and then increasing back from n/2 to n, resembling letter V. */
+function veeSlope(i: number, n: number) {
+ const mid = Math.floor(n / 2);
+ if (i < mid) {
+ if (n % 2) return mid - i;
+ else return mid - i - 1;
+ } else {
+ return i - mid;
+ }
+}
+
+function mat3FromRows(row0: Vec3, row1: Vec3, row2: Vec3): Mat3 {
+ const m = Mat3();
+ Mat3.setValue(m, 0, 0, row0[0]);
+ Mat3.setValue(m, 0, 1, row0[1]);
+ Mat3.setValue(m, 0, 2, row0[2]);
+ Mat3.setValue(m, 1, 0, row1[0]);
+ Mat3.setValue(m, 1, 1, row1[1]);
+ Mat3.setValue(m, 1, 2, row1[2]);
+ Mat3.setValue(m, 2, 0, row2[0]);
+ Mat3.setValue(m, 2, 1, row2[1]);
+ Mat3.setValue(m, 2, 2, row2[2]);
+ return m;
+}
+
+/** Check if a rotation matrix includes mirroring and invert Z axis in such case, to ensure a proper rotation (in-place). */
+function avoidMirrorRotation(rot: Mat3) {
+ if (Mat3.determinant(rot) < 0) {
+ Mat3.setValue(rot, 2, 0, -Mat3.getValue(rot, 2, 0));
+ Mat3.setValue(rot, 2, 1, -Mat3.getValue(rot, 2, 1));
+ Mat3.setValue(rot, 2, 2, -Mat3.getValue(rot, 2, 2));
+ }
+}
+
+/** Return a new camera snapshot with the same target and camera distance from the target as `old`
+ * but with diferent orientation.
+ * The actual rotation applied to the camera is the inverse of `rotation`,
+ * which creates the same effect as if `rotation` were applied to the whole scene without moving the camera.
+ * The rotation is relative to the default camera orientation (not to the current orientation). */
+export function changeCameraRotation(old: Camera.Snapshot, rotation: Mat3): Camera.Snapshot {
+ const cameraRotation = Mat3.invert(Mat3(), rotation);
+ const dist = Vec3.distance(old.position, old.target);
+ const relPosition = Vec3.transformMat3(Vec3(), Vec3.create(0, 0, dist), cameraRotation);
+ const newUp = Vec3.transformMat3(Vec3(), Vec3.create(0, 1, 0), cameraRotation);
+ const newPosition = Vec3.add(Vec3(), old.target, relPosition);
+ return { ...old, position: newPosition, up: newUp };
+}
diff --git a/src/mol-plugin-state/manager/structure/component.ts b/src/mol-plugin-state/manager/structure/component.ts
index 5c72786cfd4c3e9fd3f4265100738d4a47889ed0..08233712b1759227079414bac075dcd02baafa57 100644
--- a/src/mol-plugin-state/manager/structure/component.ts
+++ b/src/mol-plugin-state/manager/structure/component.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2019-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -54,6 +54,12 @@ class StructureComponentManager extends StatefulPluginComponent<StructureCompone
return this.currentStructures[0];
}
+ // To be used only from PluginState.setSnapshot
+ _setSnapshotState(options: StructureComponentManager.Options) {
+ this.updateState({ options });
+ this.events.optionsUpdated.next(void 0);
+ }
+
async setOptions(options: StructureComponentManager.Options) {
const interactionChanged = options.interactions !== this.state.options.interactions;
this.updateState({ options });
diff --git a/src/mol-plugin-ui/left-panel.tsx b/src/mol-plugin-ui/left-panel.tsx
index 62db9be7c613c82d0d1e8974d3523437aca376cf..e32c708df51d5ae1c3b3f0f2fdd985bb373ed224 100644
--- a/src/mol-plugin-ui/left-panel.tsx
+++ b/src/mol-plugin-ui/left-panel.tsx
@@ -6,6 +6,7 @@
*/
import * as React from 'react';
+import { throttleTime } from 'rxjs';
import { Canvas3DParams } from '../mol-canvas3d/canvas3d';
import { PluginCommands } from '../mol-plugin/commands';
import { LeftPanelTabName } from '../mol-plugin/layout';
@@ -13,12 +14,12 @@ import { StateTransform } from '../mol-state';
import { ParamDefinition as PD } from '../mol-util/param-definition';
import { PluginUIComponent } from './base';
import { IconButton, SectionHeader } from './controls/common';
+import { AccountTreeOutlinedSvg, DeleteOutlinedSvg, HelpOutlineSvg, HomeOutlinedSvg, SaveOutlinedSvg, TuneSvg } from './controls/icons';
import { ParameterControls } from './controls/parameters';
import { StateObjectActions } from './state/actions';
import { RemoteStateSnapshots, StateSnapshots } from './state/snapshots';
import { StateTree } from './state/tree';
import { HelpContent } from './viewport/help';
-import { HomeOutlinedSvg, AccountTreeOutlinedSvg, TuneSvg, HelpOutlineSvg, SaveOutlinedSvg, DeleteOutlinedSvg } from './controls/icons';
export class CustomImportControls extends PluginUIComponent<{ initiallyCollapsed?: boolean }> {
componentDidMount() {
@@ -142,7 +143,7 @@ class FullSettings extends PluginUIComponent {
this.subscribe(this.plugin.layout.events.updated, () => this.forceUpdate());
if (this.plugin.canvas3d) {
- this.subscribe(this.plugin.canvas3d.camera.stateChanged, state => {
+ this.subscribe(this.plugin.canvas3d.camera.stateChanged.pipe(throttleTime(500, undefined, { leading: true, trailing: true })), state => {
if (state.radiusMax !== undefined || state.radius !== undefined) {
this.forceUpdate();
}
diff --git a/src/mol-plugin-ui/skin/base/components/viewport.scss b/src/mol-plugin-ui/skin/base/components/viewport.scss
index 2a5f46d556eb13e94942a5305e20647fb992447c..16f8c00ec75da8f5991a743574cbf7e75ad5c418 100644
--- a/src/mol-plugin-ui/skin/base/components/viewport.scss
+++ b/src/mol-plugin-ui/skin/base/components/viewport.scss
@@ -7,7 +7,7 @@
background: $default-background;
.msp-btn-link {
- background: rgba(0,0,0,0.2);
+ background: rgba(0, 0, 0, 0.2);
}
}
@@ -25,14 +25,14 @@
bottom: 0;
-webkit-user-select: none;
user-select: none;
- -webkit-tap-highlight-color: rgba(0,0,0,0);
+ -webkit-tap-highlight-color: rgba(0, 0, 0, 0);
-webkit-touch-callout: none;
touch-action: manipulation;
> canvas {
background-color: $default-background;
background-image: linear-gradient(45deg, lightgrey 25%, transparent 25%, transparent 75%, lightgrey 75%, lightgrey),
- linear-gradient(45deg, lightgrey 25%, transparent 25%, transparent 75%, lightgrey 75%, lightgrey);
+ linear-gradient(45deg, lightgrey 25%, transparent 25%, transparent 75%, lightgrey 75%, lightgrey);
background-size: 60px 60px;
background-position: 0 0, 30px 30px;
}
@@ -82,6 +82,33 @@
height: 100%;
}
+.msp-hover-box-wrapper {
+ position: relative;
+
+ .msp-hover-box-body {
+ visibility: hidden;
+ position: absolute;
+ right: $row-height + 4px;
+ top: 0;
+ width: 100px;
+ background-color: $default-background;
+ }
+
+ .msp-hover-box-spacer {
+ visibility: hidden;
+ position: absolute;
+ right: $row-height;
+ top: 0;
+ width: 4px;
+ height: $row-height;
+ }
+
+ &:hover .msp-hover-box-body,
+ &:hover .msp-hover-box-spacer {
+ visibility: visible;
+ }
+}
+
.msp-viewport-controls-panel {
width: 290px;
top: 0;
@@ -134,4 +161,4 @@
font-size: 85%;
display: inline-block;
color: $highlight-info-additional-font-color;
-}
+}
\ No newline at end of file
diff --git a/src/mol-plugin-ui/state/snapshots.tsx b/src/mol-plugin-ui/state/snapshots.tsx
index 78c554dbc5daf8a3dd732aa6dd49b42f58fb8ffc..e24a8ef84cd77039064b133b0adfed2c6fe2c7fe 100644
--- a/src/mol-plugin-ui/state/snapshots.tsx
+++ b/src/mol-plugin-ui/state/snapshots.tsx
@@ -187,7 +187,7 @@ export class LocalStateSnapshotList extends PluginUIComponent<{}, {}> {
if (image) {
items.push(<li key={`${e!.snapshot.id}-image`} className='msp-state-image-row'>
<Button data-id={e!.snapshot.id} onClick={this.apply}>
- <img src={URL.createObjectURL(image)}/>
+ <img draggable={false} src={URL.createObjectURL(image)}/>
</Button>
</li>);
}
diff --git a/src/mol-plugin-ui/viewport.tsx b/src/mol-plugin-ui/viewport.tsx
index 0dff3983fb17f77158a2456548ddeb34f6e1dc19..4bca881977d732e89cb480750ac871e45888f77e 100644
--- a/src/mol-plugin-ui/viewport.tsx
+++ b/src/mol-plugin-ui/viewport.tsx
@@ -3,14 +3,16 @@
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author David Sehnal <david.sehnal@gmail.com>
+ * @author Adam Midlik <midlik@gmail.com>
*/
import * as React from 'react';
+import { throttleTime } from 'rxjs';
import { PluginCommands } from '../mol-plugin/commands';
import { PluginConfig } from '../mol-plugin/config';
import { ParamDefinition as PD } from '../mol-util/param-definition';
import { PluginUIComponent } from './base';
-import { ControlGroup, IconButton } from './controls/common';
+import { Button, ControlGroup, IconButton } from './controls/common';
import { AutorenewSvg, BuildOutlinedSvg, CameraOutlinedSvg, CloseSvg, FullscreenSvg, TuneSvg } from './controls/icons';
import { ToggleSelectionModeButton } from './structure/selection';
import { ViewportCanvas } from './viewport/canvas';
@@ -19,19 +21,23 @@ import { SimpleSettingsControl } from './viewport/simple-settings';
interface ViewportControlsState {
isSettingsExpanded: boolean,
- isScreenshotExpanded: boolean
+ isScreenshotExpanded: boolean,
+ isCameraResetEnabled: boolean
}
interface ViewportControlsProps {
}
export class ViewportControls extends PluginUIComponent<ViewportControlsProps, ViewportControlsState> {
- private allCollapsedState: ViewportControlsState = {
+ private allCollapsedState = {
isSettingsExpanded: false,
- isScreenshotExpanded: false
+ isScreenshotExpanded: false,
};
- state = { ...this.allCollapsedState } as ViewportControlsState;
+ state: ViewportControlsState = {
+ ...this.allCollapsedState,
+ isCameraResetEnabled: true,
+ };
resetCamera = () => {
PluginCommands.Camera.Reset(this.plugin, {});
@@ -39,7 +45,7 @@ export class ViewportControls extends PluginUIComponent<ViewportControlsProps, V
private toggle(panel: keyof ViewportControlsState) {
return (e?: React.MouseEvent<HTMLButtonElement>) => {
- this.setState({ ...this.allCollapsedState, [panel]: !this.state[panel] });
+ this.setState(old => ({ ...old, ...this.allCollapsedState, [panel]: !this.state[panel] }));
e?.currentTarget.blur();
};
}
@@ -67,9 +73,19 @@ export class ViewportControls extends PluginUIComponent<ViewportControlsProps, V
this.plugin.helpers.viewportScreenshot?.download();
};
+ enableCameraReset = (enable: boolean) => {
+ this.setState(old => ({ ...old, isCameraResetEnabled: enable }));
+ };
+
componentDidMount() {
this.subscribe(this.plugin.events.canvas3d.settingsUpdated, () => this.forceUpdate());
this.subscribe(this.plugin.layout.events.updated, () => this.forceUpdate());
+ if (this.plugin.canvas3d) {
+ this.subscribe(
+ this.plugin.canvas3d.camera.stateChanged.pipe(throttleTime(500, undefined, { leading: true, trailing: true })),
+ snapshot => this.enableCameraReset(snapshot.radius !== 0 && snapshot.radiusMax !== 0)
+ );
+ }
}
icon(icon: React.FC, onClick: (e: React.MouseEvent<HTMLButtonElement>) => void, title: string, isOn = true) {
@@ -79,9 +95,29 @@ export class ViewportControls extends PluginUIComponent<ViewportControlsProps, V
render() {
return <div className={'msp-viewport-controls'}>
<div className='msp-viewport-controls-buttons'>
- <div>
+ <div className='msp-hover-box-wrapper'>
<div className='msp-semi-transparent-background' />
- {this.icon(AutorenewSvg, this.resetCamera, 'Reset Camera')}
+ {this.icon(AutorenewSvg, this.resetCamera, 'Reset Zoom')}
+ <div className='msp-hover-box-body'>
+ <div className='msp-flex-column'>
+ <div className='msp-flex-row'>
+ <Button onClick={() => this.resetCamera()} disabled={!this.state.isCameraResetEnabled} title='Set camera zoom to fit the visible scene into view'>
+ Reset Zoom
+ </Button>
+ </div>
+ <div className='msp-flex-row'>
+ <Button onClick={() => PluginCommands.Camera.OrientAxes(this.plugin)} disabled={!this.state.isCameraResetEnabled} title='Align principal component axes of the loaded structures to the screen axes (“lay flat”)'>
+ Orient Axes
+ </Button>
+ </div>
+ <div className='msp-flex-row'>
+ <Button onClick={() => PluginCommands.Camera.ResetAxes(this.plugin)} disabled={!this.state.isCameraResetEnabled} title='Align Cartesian axes to the screen axes'>
+ Reset Axes
+ </Button>
+ </div>
+ </div>
+ </div>
+ <div className='msp-hover-box-spacer'></div>
</div>
<div>
<div className='msp-semi-transparent-background' />
diff --git a/src/mol-plugin-ui/viewport/simple-settings.tsx b/src/mol-plugin-ui/viewport/simple-settings.tsx
index ddf7fcf54304c5503f428ec8b31c42e488a832e8..eefa6a519043d4eaa0138b5f04010faa2c751fd3 100644
--- a/src/mol-plugin-ui/viewport/simple-settings.tsx
+++ b/src/mol-plugin-ui/viewport/simple-settings.tsx
@@ -6,6 +6,7 @@
*/
import { produce } from 'immer';
+import { throttleTime } from 'rxjs';
import { Canvas3DParams, Canvas3DProps } from '../../mol-canvas3d/canvas3d';
import { PluginCommands } from '../../mol-plugin/commands';
import { PluginConfig } from '../../mol-plugin/config';
@@ -26,7 +27,7 @@ export class SimpleSettingsControl extends PluginUIComponent {
this.subscribe(this.plugin.events.canvas3d.settingsUpdated, () => this.forceUpdate());
- this.subscribe(this.plugin.canvas3d!.camera.stateChanged, state => {
+ this.subscribe(this.plugin.canvas3d!.camera.stateChanged.pipe(throttleTime(500, undefined, { leading: true, trailing: true })), state => {
if (state.radiusMax !== undefined || state.radius !== undefined) {
this.forceUpdate();
}
diff --git a/src/mol-plugin/behavior/static/camera.ts b/src/mol-plugin/behavior/static/camera.ts
index d0a0ec17e111bf145886a5ef0e5d1cb9924fcd68..5d6981f07335fd24fa6e53ff164b17d3d9846901 100644
--- a/src/mol-plugin/behavior/static/camera.ts
+++ b/src/mol-plugin/behavior/static/camera.ts
@@ -1,7 +1,8 @@
/**
- * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
+ * @author Adam Midlik <midlik@gmail.com>
*/
import { PluginContext } from '../../../mol-plugin/context';
@@ -11,6 +12,8 @@ export function registerDefault(ctx: PluginContext) {
Reset(ctx);
Focus(ctx);
SetSnapshot(ctx);
+ OrientAxes(ctx);
+ ResetAxes(ctx);
}
export function Reset(ctx: PluginContext) {
@@ -30,4 +33,16 @@ export function Focus(ctx: PluginContext) {
ctx.managers.camera.focusSphere({ center, radius }, { durationMs });
ctx.events.canvas3d.settingsUpdated.next(void 0);
});
-}
\ No newline at end of file
+}
+
+export function OrientAxes(ctx: PluginContext) {
+ PluginCommands.Camera.OrientAxes.subscribe(ctx, ({ structures, durationMs }) => {
+ ctx.managers.camera.orientAxes(structures, durationMs);
+ });
+}
+
+export function ResetAxes(ctx: PluginContext) {
+ PluginCommands.Camera.ResetAxes.subscribe(ctx, ({ durationMs }) => {
+ ctx.managers.camera.resetAxes(durationMs);
+ });
+}
diff --git a/src/mol-plugin/commands.ts b/src/mol-plugin/commands.ts
index e2921b6cee0819a265072e59d5d81c61a7155468..013d8c3e7aa904dd89a90836e3db586d70f97d1a 100644
--- a/src/mol-plugin/commands.ts
+++ b/src/mol-plugin/commands.ts
@@ -1,8 +1,9 @@
/**
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
+ * @author Adam Midlik <midlik@gmail.com>
*/
import { Camera } from '../mol-canvas3d/camera';
@@ -10,7 +11,7 @@ import { PluginCommand } from './command';
import { StateTransform, State, StateAction } from '../mol-state';
import { Canvas3DProps } from '../mol-canvas3d/canvas3d';
import { PluginLayoutStateProps } from './layout';
-import { StructureElement } from '../mol-model/structure';
+import { Structure, StructureElement } from '../mol-model/structure';
import { PluginState } from './state';
import { PluginToast } from './util/toast';
import { Vec3 } from '../mol-math/linear-algebra';
@@ -62,7 +63,9 @@ export const PluginCommands = {
Camera: {
Reset: PluginCommand<{ durationMs?: number, snapshot?: Partial<Camera.Snapshot> }>(),
SetSnapshot: PluginCommand<{ snapshot: Partial<Camera.Snapshot>, durationMs?: number }>(),
- Focus: PluginCommand<{ center: Vec3, radius: number, durationMs?: number }>()
+ Focus: PluginCommand<{ center: Vec3, radius: number, durationMs?: number }>(),
+ OrientAxes: PluginCommand<{ structures?: Structure[], durationMs?: number }>(),
+ ResetAxes: PluginCommand<{ durationMs?: number }>(),
},
Canvas3D: {
SetSettings: PluginCommand<{ settings: Partial<Canvas3DProps> | ((old: Canvas3DProps) => Partial<Canvas3DProps> | void) }>(),
diff --git a/src/mol-plugin/state.ts b/src/mol-plugin/state.ts
index e1aa41abfa123a7bc37bd5243a4e550ee25e047e..b5853e99658edbb8379758999aef0e45660b0b3f 100644
--- a/src/mol-plugin/state.ts
+++ b/src/mol-plugin/state.ts
@@ -76,7 +76,7 @@ class PluginState extends PluginComponent {
await this.animation.stop();
// this needs to go 1st since these changes are already baked into the behavior and data state
- if (snapshot.structureComponentManager?.options) await this.plugin.managers.structure.component.setOptions(snapshot.structureComponentManager?.options);
+ if (snapshot.structureComponentManager?.options) this.plugin.managers.structure.component._setSnapshotState(snapshot.structureComponentManager?.options);
if (snapshot.behaviour) await this.plugin.runTask(this.behaviors.setSnapshot(snapshot.behaviour));
if (snapshot.data) await this.plugin.runTask(this.data.setSnapshot(snapshot.data));
if (snapshot.canvas3d?.props) {
diff --git a/src/mol-repr/representation.ts b/src/mol-repr/representation.ts
index 4718fc6662f38afc276bd10aecfaaf80c696a2c7..6b604fa838ec7aefdb9db4e0cd674b0fc4e4aef9 100644
--- a/src/mol-repr/representation.ts
+++ b/src/mol-repr/representation.ts
@@ -18,7 +18,7 @@ import { Loci as ModelLoci, EmptyLoci, isEmptyLoci } from '../mol-model/loci';
import { Overpaint } from '../mol-theme/overpaint';
import { Transparency } from '../mol-theme/transparency';
import { Mat4 } from '../mol-math/linear-algebra';
-import { getQualityProps } from './util';
+import { LocationCallback, getQualityProps } from './util';
import { BaseGeometry } from '../mol-geo/geometry/base';
import { Visual } from './visual';
import { CustomProperty } from '../mol-model-props/common/custom-property';
@@ -162,6 +162,7 @@ interface Representation<D, P extends PD.Params = PD.Params, S extends Represent
setTheme: (theme: Theme) => void
getLoci: (pickingId: PickingId) => ModelLoci
getAllLoci: () => ModelLoci[]
+ eachLocation: (cb: LocationCallback) => void
mark: (loci: ModelLoci, action: MarkerAction) => boolean
destroy: () => void
}
@@ -250,6 +251,7 @@ namespace Representation {
setTheme: () => {},
getLoci: () => EmptyLoci,
getAllLoci: () => [],
+ eachLocation: () => {},
mark: () => false,
destroy: () => {}
};
@@ -370,6 +372,14 @@ namespace Representation {
}
return loci;
},
+ eachLocation: (cb: LocationCallback) => {
+ const { visuals } = currentProps;
+ for (let i = 0, il = reprList.length; i < il; ++i) {
+ if (!visuals || visuals.includes(reprMap[i])) {
+ reprList[i].eachLocation(cb);
+ }
+ }
+ },
mark: (loci: ModelLoci, action: MarkerAction) => {
let marked = false;
for (let i = 0, il = reprList.length; i < il; ++i) {
@@ -436,6 +446,9 @@ namespace Representation {
// TODO
return [];
},
+ eachLocation: () => {
+ // TODO
+ },
mark: (loci: ModelLoci, action: MarkerAction) => {
// TODO
return false;
diff --git a/src/mol-repr/shape/representation.ts b/src/mol-repr/shape/representation.ts
index 45c4c68776db007b38a7e0568bd9c0f3c1581095..f5344c9582b0a500d96dfa725e0f96b5b92dd018 100644
--- a/src/mol-repr/shape/representation.ts
+++ b/src/mol-repr/shape/representation.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -11,7 +11,7 @@ import { Subject } from 'rxjs';
import { getNextMaterialId, createRenderObject, GraphicsRenderObject } from '../../mol-gl/render-object';
import { Theme } from '../../mol-theme/theme';
import { LocationIterator } from '../../mol-geo/util/location-iterator';
-import { VisualUpdateState } from '../util';
+import { LocationCallback, VisualUpdateState } from '../util';
import { createMarkers } from '../../mol-geo/geometry/marker-data';
import { MarkerAction, MarkerActions } from '../../mol-util/marker-action';
import { ValueCell } from '../../mol-util';
@@ -223,6 +223,13 @@ export function ShapeRepresentation<D, G extends Geometry, P extends Geometry.Pa
getAllLoci() {
return [Shape.Loci(_shape)];
},
+ eachLocation: (cb: LocationCallback) => {
+ locationIt.reset();
+ while (locationIt.hasNext) {
+ const { location, isSecondary } = locationIt.move();
+ cb(location, isSecondary);
+ }
+ },
mark(loci: Loci, action: MarkerAction) {
if (!MarkerActions.is(_state.markerActions, action)) return false;
if (ShapeGroup.isLoci(loci) || Shape.isLoci(loci)) {
diff --git a/src/mol-repr/structure/complex-representation.ts b/src/mol-repr/structure/complex-representation.ts
index e959f918968aaaed200bac13a026db2b64dc6b1d..f5ec7ca7bfe73e90ecc9b89c72bde74f219d833c 100644
--- a/src/mol-repr/structure/complex-representation.ts
+++ b/src/mol-repr/structure/complex-representation.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author David Sehnal <david.sehnal@gmail.com>
@@ -22,6 +22,7 @@ import { Clipping } from '../../mol-theme/clipping';
import { Transparency } from '../../mol-theme/transparency';
import { WebGLContext } from '../../mol-gl/webgl/context';
import { Substance } from '../../mol-theme/substance';
+import { LocationCallback } from '../util';
export function ComplexRepresentation<P extends StructureParams>(label: string, ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, P>, visualCtor: (materialId: number, structure: Structure, props: PD.Values<P>, webgl?: WebGLContext) => ComplexVisual<P>): StructureRepresentation<P> {
let version = 0;
@@ -77,7 +78,11 @@ export function ComplexRepresentation<P extends StructureParams>(label: string,
}
function getAllLoci() {
- return [Structure.Loci(_structure.target)];
+ return [Structure.Loci(_structure.child ?? _structure)];
+ }
+
+ function eachLocation(cb: LocationCallback) {
+ visual?.eachLocation(cb);
}
function mark(loci: Loci, action: MarkerAction) {
@@ -162,6 +167,7 @@ export function ComplexRepresentation<P extends StructureParams>(label: string,
setTheme,
getLoci,
getAllLoci,
+ eachLocation,
mark,
destroy
};
diff --git a/src/mol-repr/structure/complex-visual.ts b/src/mol-repr/structure/complex-visual.ts
index 526c5be397c93d512b344424b5015d7c8779a68c..99e8d1da36a2a9746e44f3839864bd652dc9b28e 100644
--- a/src/mol-repr/structure/complex-visual.ts
+++ b/src/mol-repr/structure/complex-visual.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -15,7 +15,7 @@ import { createRenderObject, GraphicsRenderObject, RenderObjectValues } from '..
import { PickingId } from '../../mol-geo/geometry/picking';
import { Loci, isEveryLoci, EmptyLoci } from '../../mol-model/loci';
import { Interval } from '../../mol-data/int';
-import { VisualUpdateState } from '../util';
+import { LocationCallback, VisualUpdateState } from '../util';
import { ColorTheme } from '../../mol-theme/color';
import { ValueCell, deepEqual } from '../../mol-util';
import { createSizes, SizeData } from '../../mol-geo/geometry/size-data';
@@ -266,6 +266,13 @@ export function ComplexVisual<G extends Geometry, P extends StructureParams & Ge
getLoci(pickingId: PickingId) {
return renderObject ? getLoci(pickingId, currentStructure, renderObject.id) : EmptyLoci;
},
+ eachLocation(cb: LocationCallback) {
+ locationIt.reset();
+ while (locationIt.hasNext) {
+ const { location, isSecondary } = locationIt.move();
+ cb(location, isSecondary);
+ }
+ },
mark(loci: Loci, action: MarkerAction) {
return Visual.mark(renderObject, loci, action, lociApply, previousMark);
},
diff --git a/src/mol-repr/structure/units-representation.ts b/src/mol-repr/structure/units-representation.ts
index a286188a54102892db8a07baaf137b747c0683ce..d2dd99b797100e76e83c3ddefeb9135651bd6d34 100644
--- a/src/mol-repr/structure/units-representation.ts
+++ b/src/mol-repr/structure/units-representation.ts
@@ -26,6 +26,7 @@ import { Clipping } from '../../mol-theme/clipping';
import { WebGLContext } from '../../mol-gl/webgl/context';
import { StructureGroup } from './visual/util/common';
import { Substance } from '../../mol-theme/substance';
+import { LocationCallback } from '../util';
export interface UnitsVisual<P extends StructureParams> extends Visual<StructureGroup, P> { }
@@ -194,8 +195,14 @@ export function UnitsRepresentation<P extends StructureParams>(label: string, ct
return loci;
}
+ function eachLocation(cb: LocationCallback) {
+ visuals.forEach(({ visual }) => {
+ visual.eachLocation(cb);
+ });
+ }
+
function getAllLoci() {
- return [Structure.Loci(_structure.target)];
+ return [Structure.Loci(_structure.child ?? _structure)];
}
function mark(loci: Loci, action: MarkerAction) {
@@ -312,6 +319,7 @@ export function UnitsRepresentation<P extends StructureParams>(label: string, ct
setTheme,
getLoci,
getAllLoci,
+ eachLocation,
mark,
destroy
};
diff --git a/src/mol-repr/structure/units-visual.ts b/src/mol-repr/structure/units-visual.ts
index cd5e898e7501affaa640e1b083bf543ebc30cc23..66b6c19e99d14cf05d4dc20cc1d7360d5002b6d4 100644
--- a/src/mol-repr/structure/units-visual.ts
+++ b/src/mol-repr/structure/units-visual.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -16,7 +16,7 @@ import { createRenderObject, GraphicsRenderObject, RenderObjectValues } from '..
import { PickingId } from '../../mol-geo/geometry/picking';
import { Loci, isEveryLoci, EmptyLoci } from '../../mol-model/loci';
import { Interval } from '../../mol-data/int';
-import { VisualUpdateState } from '../util';
+import { LocationCallback, VisualUpdateState } from '../util';
import { ColorTheme } from '../../mol-theme/color';
import { createMarkers } from '../../mol-geo/geometry/marker-data';
import { MarkerAction } from '../../mol-util/marker-action';
@@ -337,6 +337,13 @@ export function UnitsVisual<G extends Geometry, P extends StructureParams & Geom
getLoci(pickingId: PickingId) {
return renderObject ? getLoci(pickingId, currentStructureGroup, renderObject.id) : EmptyLoci;
},
+ eachLocation(cb: LocationCallback) {
+ locationIt.reset();
+ while (locationIt.hasNext) {
+ const { location, isSecondary } = locationIt.move();
+ cb(location, isSecondary);
+ }
+ },
mark(loci: Loci, action: MarkerAction) {
let hasInvariantId = true;
if (StructureElement.Loci.is(loci)) {
diff --git a/src/mol-repr/structure/visual/util/common.ts b/src/mol-repr/structure/visual/util/common.ts
index 20dd1da691b7a677d4730c8b04fee82e9737293e..8141b0918e2807403277ba3c04840d4977ee6d5e 100644
--- a/src/mol-repr/structure/visual/util/common.ts
+++ b/src/mol-repr/structure/visual/util/common.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author David Sehnal <david.sehnal@gmail.com>
@@ -314,12 +314,14 @@ export function getStructureConformationAndRadius(structure: Structure, sizeThem
}
const _H = AtomicNumbers['H'];
-export function isHydrogen(structure: Structure, unit: Unit, element: ElementIndex, variant: 'all' | 'non-polar') {
+export function isHydrogen(structure: Structure, unit: Unit, element: ElementIndex, variant: 'all' | 'non-polar' | 'polar') {
if (Unit.isCoarse(unit)) return false;
- return (
- unit.model.atomicHierarchy.derived.atom.atomicNumber[element] === _H &&
- (variant === 'all' || !hasPolarNeighbour(structure, unit, SortedArray.indexOf(unit.elements, element) as StructureElement.UnitIndex))
- );
+ if (unit.model.atomicHierarchy.derived.atom.atomicNumber[element] !== _H) return false;
+ if (variant === 'all') return true;
+ const polar = hasPolarNeighbour(structure, unit, SortedArray.indexOf(unit.elements, element) as StructureElement.UnitIndex);
+ if (polar && variant === 'polar') return true;
+ if (!polar && variant === 'non-polar') return true;
+ return false;
}
export function isH(atomicNumber: ArrayLike<number>, element: ElementIndex) {
return atomicNumber[element] === _H;
diff --git a/src/mol-repr/util.ts b/src/mol-repr/util.ts
index b37e4954e457b02b0570d6df756f8fffa1912bcf..dfbb5af68a64968a5e5c57792d872d8814bfa994 100644
--- a/src/mol-repr/util.ts
+++ b/src/mol-repr/util.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -10,6 +10,7 @@ import { VisualQuality } from '../mol-geo/geometry/base';
import { Box3D, SpacegroupCell } from '../mol-math/geometry';
import { ModelSymmetry } from '../mol-model-formats/structure/property/symmetry';
import { Volume } from '../mol-model/volume';
+import { Location } from '../mol-model/location';
export interface VisualUpdateState {
updateTransform: boolean
@@ -45,6 +46,8 @@ export namespace VisualUpdateState {
}
}
+export type LocationCallback = (loc: Location, isSecondary: boolean) => void
+
//
export interface QualityProps {
diff --git a/src/mol-repr/visual.ts b/src/mol-repr/visual.ts
index f6a5c0f1a8bf421f160d7648cc015e86ba4c61a5..2d0d06f9661a9556423b24442135d5059574c663 100644
--- a/src/mol-repr/visual.ts
+++ b/src/mol-repr/visual.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -31,6 +31,7 @@ import { applyMeshOverpaintSmoothing, applyMeshSubstanceSmoothing, applyMeshTran
import { applyTextureMeshOverpaintSmoothing, applyTextureMeshSubstanceSmoothing, applyTextureMeshTransparencySmoothing } from '../mol-geo/geometry/texture-mesh/color-smoothing';
import { Substance } from '../mol-theme/substance';
import { applySubstanceMaterial, clearSubstance, createSubstance } from '../mol-geo/geometry/substance-data';
+import { LocationCallback } from './util';
export interface VisualContext {
readonly runtime: RuntimeContext
@@ -45,6 +46,7 @@ interface Visual<D, P extends PD.Params> {
readonly geometryVersion: number
createOrUpdate: (ctx: VisualContext, theme: Theme, props: PD.Values<P>, data?: D) => Promise<void> | void
getLoci: (pickingId: PickingId) => Loci
+ eachLocation: (cb: LocationCallback) => void
mark: (loci: Loci, action: MarkerAction) => boolean
setVisibility: (visible: boolean) => void
setAlphaFactor: (alphaFactor: number) => void
diff --git a/src/mol-repr/volume/representation.ts b/src/mol-repr/volume/representation.ts
index d83dfad49786bbba9cd611d68a47acc17d29fcac..d2921e734c883eeb29f015bf7c6cfce19bca95e6 100644
--- a/src/mol-repr/volume/representation.ts
+++ b/src/mol-repr/volume/representation.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -15,7 +15,7 @@ import { createRenderObject, getNextMaterialId, GraphicsRenderObject } from '../
import { PickingId } from '../../mol-geo/geometry/picking';
import { Loci, isEveryLoci, EmptyLoci, isEmptyLoci } from '../../mol-model/loci';
import { Interval, SortedArray } from '../../mol-data/int';
-import { getQualityProps, VisualUpdateState } from '../util';
+import { getQualityProps, LocationCallback, VisualUpdateState } from '../util';
import { ColorTheme } from '../../mol-theme/color';
import { ValueCell } from '../../mol-util';
import { createSizes } from '../../mol-geo/geometry/size-data';
@@ -233,6 +233,13 @@ export function VolumeVisual<G extends Geometry, P extends VolumeParams & Geomet
getLoci(pickingId: PickingId) {
return renderObject ? getLoci(pickingId, currentVolume, currentKey, currentProps, renderObject.id) : EmptyLoci;
},
+ eachLocation(cb: LocationCallback) {
+ locationIt.reset();
+ while (locationIt.hasNext) {
+ const { location, isSecondary } = locationIt.move();
+ cb(location, isSecondary);
+ }
+ },
mark(loci: Loci, action: MarkerAction) {
return Visual.mark(renderObject, loci, action, lociApply);
},
@@ -436,6 +443,11 @@ export function VolumeRepresentation<P extends VolumeParams>(label: string, ctx:
getAllLoci: (): Loci[] => {
return [getLoci(_volume, _props)];
},
+ eachLocation: (cb: LocationCallback) => {
+ visuals.forEach(visual => {
+ visual.eachLocation(cb);
+ });
+ },
mark,
destroy
};
diff --git a/src/mol-state/state.ts b/src/mol-state/state.ts
index 1602278c840eb9b0e07c5f901e3d6dc644cb9a91..83ed3fcbb661d7b304f93e5a5c7b05410da4a80c 100644
--- a/src/mol-state/state.ts
+++ b/src/mol-state/state.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
*/
@@ -868,13 +868,36 @@ async function updateNode(ctx: UpdateContext, currentRef: Ref): Promise<UpdateNo
const current = ctx.cells.get(currentRef)!;
const transform = current.transform;
- // special case for Root
+ // Special case for Root
if (current.transform.ref === StateTransform.RootRef) {
return { action: 'none' };
}
+ const treeParent = ctx.cells.get(current.transform.parent);
+ const isParentNull = treeParent?.obj === StateObject.Null;
+
+ // Special case for when the immediate parent is null
+ // This could happen then manually applying transforms to
+ // already existing null nudes
+ if (isParentNull) {
+ current.sourceRef = treeParent.transform.ref;
+
+ if (oldTree.transforms.has(currentRef) && current.params) {
+ const oldParams = current.params.values;
+ const oldCache = current.cache;
+ dispose(transform, current.obj, oldParams, oldCache, ctx.parent.globalContext);
+
+ current.params = undefined;
+ current.obj = StateObject.Null;
+ return { ref: currentRef, action: 'updated', obj: current.obj! };
+ } else {
+ current.params = undefined;
+ return { ref: currentRef, action: 'created', obj: StateObject.Null };
+ }
+ }
+
const parentCell = transform.transformer.definition.from.length === 0
- ? ctx.cells.get(current.transform.parent)
+ ? treeParent
: StateSelection.findAncestorOfType(tree, ctx.cells, currentRef, transform.transformer.definition.from);
if (!parentCell) {
throw new Error(`No suitable parent found for '${currentRef}'`);
diff --git a/src/mol-util/_spec/file-info.spec.ts b/src/mol-util/_spec/file-info.spec.ts
new file mode 100644
index 0000000000000000000000000000000000000000..cfebc3abab886f966e6cbae44d3eda57afa7dba6
--- /dev/null
+++ b/src/mol-util/_spec/file-info.spec.ts
@@ -0,0 +1,29 @@
+/**
+ * Copyright (c) 2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Russell Parker <russell@benchling.com>
+ */
+
+import { getFileNameInfo } from '../file-info';
+
+describe('getFileNameInfo', () => {
+ it('handles empty string', () => {
+ expect(getFileNameInfo('')).toEqual({ path: '', name: '', ext: '', base: '', dir: '', protocol: '', query: '' });
+ });
+
+ it('handles url', () => {
+ expect(getFileNameInfo('https://models.rcsb.org/4KTC.bcif')).toEqual({ path: 'models.rcsb.org/4KTC.bcif', name: '4KTC.bcif', ext: 'bcif', base: '4KTC', dir: 'models.rcsb.org/', protocol: 'https', query: '' });
+ });
+
+ it('handles compressed url', () => {
+ expect(getFileNameInfo('https://files.rcsb.org/download/7QPD.cif.gz?foo=bar')).toEqual({ path: 'files.rcsb.org/download/7QPD.cif.gz', name: '7QPD.cif.gz', ext: 'cif', base: '7QPD', dir: 'files.rcsb.org/download/', protocol: 'https', query: '?foo=bar' });
+ });
+
+ it('handles local path', () => {
+ expect(getFileNameInfo('/usr/local/data/structure.pdb')).toEqual({ path: '/usr/local/data/structure.pdb', name: 'structure.pdb', ext: 'pdb', base: 'structure', dir: '/usr/local/data/', protocol: '', query: '' });
+ });
+
+ it('handles local path with protocol', () => {
+ expect(getFileNameInfo('file:///usr/local/data/structure.pdb')).toEqual({ path: '/usr/local/data/structure.pdb', name: 'structure.pdb', ext: 'pdb', base: 'structure', dir: '/usr/local/data/', protocol: 'file', query: '' });
+ });
+});
diff --git a/src/mol-util/file-info.ts b/src/mol-util/file-info.ts
index 0477631a42e2e56ef40714e9831a2e889b827597..ed2fbfedeab823209b612214ada4204e3f6c954b 100644
--- a/src/mol-util/file-info.ts
+++ b/src/mol-util/file-info.ts
@@ -1,17 +1,15 @@
/**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
+ * @author Russell Parker <russell@benchling.com>
*/
-/** A File or Blob object or a URL string */
-export type FileInput = File | Blob | string
-
// TODO only support compressed files for which uncompression support is available???
// TODO store globally with decompression plugins?
-const compressedExtList = ['gz', 'zip'];
+const COMPRESSED_EXT_LIST = ['gz', 'zip'];
-export interface FileInfo {
+export interface FileNameInfo {
path: string
name: string
ext: string
@@ -19,20 +17,12 @@ export interface FileInfo {
dir: string
protocol: string
query: string
- src: FileInput
}
-export function getFileInfo(file: FileInput): FileInfo {
- let path: string;
+export function getFileNameInfo(fileName: string): FileNameInfo {
+ let path: string = fileName;
let protocol = '';
- if (file instanceof File) {
- path = file.name;
- } else if (file instanceof Blob) {
- path = '';
- } else {
- path = file;
- }
const queryIndex = path.lastIndexOf('?');
const query = queryIndex !== -1 ? path.substring(queryIndex) : '';
path = path.substring(0, queryIndex === -1 ? path.length : queryIndex);
@@ -51,12 +41,14 @@ export function getFileInfo(file: FileInput): FileInfo {
const dir = path.substring(0, path.lastIndexOf('/') + 1);
- if (compressedExtList.includes(ext)) {
+ if (COMPRESSED_EXT_LIST.includes(ext)) {
const n = path.length - ext.length - 1;
+ // TODO: change logic to String.prototype.substring since substr is deprecated
ext = (path.substr(0, n).split('.').pop() || '').toLowerCase();
const m = base.length - ext.length - 1;
base = base.substr(0, m);
}
- return { path, name, ext, base, dir, protocol, query, src: file };
+ // Note: it appears that most of this data never gets used.
+ return { path, name, ext, base, dir, protocol, query };
}
\ No newline at end of file
diff --git a/src/mol-util/input/input-observer.ts b/src/mol-util/input/input-observer.ts
index 0764c6c88ab1876dae1433c8ff0c06e083b955fb..5e5c8fc1b22681d1133cc6e34e2366b6cb637160 100644
--- a/src/mol-util/input/input-observer.ts
+++ b/src/mol-util/input/input-observer.ts
@@ -76,12 +76,16 @@ export type ModifiersKeys = {
meta: boolean
}
export namespace ModifiersKeys {
- export const None = create();
+ export const None: Readonly<ModifiersKeys> = create();
export function areEqual(a: ModifiersKeys, b: ModifiersKeys) {
return a.shift === b.shift && a.alt === b.alt && a.control === b.control && a.meta === b.meta;
}
+ export function areNone(a: ModifiersKeys) {
+ return areEqual(a, None);
+ }
+
export function size(a?: ModifiersKeys) {
if (!a) return 0;
let ret = 0;