diff --git a/CHANGELOG.md b/CHANGELOG.md index e648baa5f58bbb05a1ad5a01b9bb47d3128460f4..158c328111cf473c2c9e4fed40e8ec81ece021be 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,6 +9,8 @@ Note that since we don't clearly distinguish between a public and private interf - Add a uniform color theme for NtC tube that still paints residue and segment dividers in a different color - Fix bond assignments `struct_conn` records referencing waters - Fix `PluginState.setSnapshot` triggering unnecessary state updates +- 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)) ## [v3.34.0] - 2023-04-16 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 +1 122 -0.4814 +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 +1 151 0.1587 +1 152 0.5191 +1 153 -0.4597 +1 154 0.3017 +1 155 -0.2837 +1 156 -0.1948 +1 157 0.1785 +1 158 0.5405 +1 159 -0.4811 +1 160 -0.0398 +1 161 0.5995 +1 162 -0.4538 +1 163 -0.0609 +1 164 -0.2056 +1 165 0.1601 +1 166 0.5586 +1 167 -0.4993 +1 168 -0.0108 +1 169 -0.0011 +1 170 0.0104 +1 171 0.0060 +1 172 0.0140 +1 173 0.0184 +1 174 0.0211 +1 175 -0.2099 +1 176 0.1582 +1 177 0.5262 +1 178 -0.4668 +1 179 -0.0236 +1 180 -0.0242 +1 181 -0.0471 +1 182 -0.0362 +1 183 -0.1983 +1 184 0.1789 +1 185 0.5484 +1 186 -0.4889 +1 187 -0.0368 +1 188 0.6173 +1 189 -0.4625 +1 190 -0.0700 +1 191 -0.2032 +1 192 0.1554 +1 193 0.5524 +1 194 -0.4930 +1 195 -0.1086 +1 196 0.1543 +1 197 -0.2041 +1 198 0.1635 +1 199 0.5402 +1 200 -0.4807 +1 201 -0.0157 +1 202 0.0127 +1 203 0.0155 +1 204 0.0612 +1 205 0.0015 +1 206 -0.0028 +1 207 0.2506 +1 208 -0.2314 +1 209 -0.2026 +1 210 0.1550 +1 211 0.5647 +1 212 -0.5054 +1 213 -0.0290 +1 214 -0.0342 +1 215 -0.0302 +1 216 -0.1963 +1 217 0.1596 +1 218 0.5144 +1 219 -0.4550 +1 220 0.2988 +1 221 -0.2810 +1 222 -0.2069 +1 223 0.1915 +1 224 0.5288 +1 225 -0.4694 +1 226 -0.2036 +1 227 0.1662 +1 228 0.5693 +1 229 -0.5099 +1 230 -0.0189 +1 231 -0.0004 +1 232 0.0199 +1 233 0.0193 +1 234 0.0122 +1 235 0.0058 +1 236 0.0120 +1 237 -0.1994 +1 238 0.1596 +1 239 0.5672 +1 240 -0.5077 +1 241 -0.0166 +1 242 0.1632 +1 243 -0.3700 +1 244 0.1320 +1 245 0.3553 +1 246 -0.2243 +1 247 -0.3979 +1 248 0.1308 +1 249 0.5394 +1 250 -0.4800 +1 251 -0.0307 +1 252 -0.0281 +1 253 0.1849 +1 254 -0.2009 +1 255 0.1614 +1 256 0.5223 +1 257 -0.4628 +1 258 0.3097 +1 259 -0.2890 +1 260 -0.2009 +1 261 0.1870 +1 262 0.5467 +1 263 -0.4872 +1 264 -0.0424 +1 265 0.7488 +1 266 -0.4316 +1 267 -0.2193 +1 268 -0.2080 +1 269 0.1627 +1 270 0.5436 +1 271 -0.4842 +1 272 -0.0362 +1 273 -0.0340 +1 274 -0.0286 +1 275 -0.0388 +1 276 -0.2012 +1 277 0.1608 +1 278 0.5423 +1 279 -0.4829 +1 280 -0.0168 +1 281 -0.2076 +1 282 0.1656 +1 283 0.5404 +1 284 -0.4810 +1 285 -0.0322 +1 286 -0.0375 +1 287 -0.0292 +1 288 -0.1958 +1 289 0.1815 +1 290 0.5345 +1 291 -0.4751 +1 292 -0.0419 +1 293 0.7421 +1 294 -0.4182 +1 295 -0.2260 +1 296 -0.2076 +1 297 0.1625 +1 298 0.5578 +1 299 -0.4984 +1 300 -0.0291 +1 301 -0.0307 +1 302 -0.0381 +1 303 -0.0400 +1 304 -0.2010 +1 305 0.1587 +1 306 0.5585 +1 307 -0.4991 +1 308 -0.0331 +1 309 -0.0326 +1 310 -0.0366 +1 311 -0.0384 +1 312 -0.1991 +1 313 0.1494 +1 314 0.5280 +1 315 -0.4686 +1 316 -0.0097 +1 317 -0.0509 +1 318 -0.0262 +1 319 0.1601 +1 320 -0.1811 +1 321 -0.2019 +1 322 0.1837 +1 323 0.5326 +1 324 -0.4732 +1 325 -0.0380 +1 326 0.5963 +1 327 -0.4386 +1 328 -0.0728 +1 329 -0.2074 +1 330 0.1920 +1 331 0.5314 +1 332 -0.4720 +1 333 -0.2022 +1 334 0.1676 +1 335 0.5489 +1 336 -0.4895 +1 337 -0.0054 +1 338 -0.0580 +1 339 0.7618 +1 340 -0.4320 +1 341 -0.2320 +1 342 -0.2074 +1 343 0.1692 +1 344 0.5547 +1 345 -0.4953 +1 346 -0.0267 +1 347 -0.0349 +1 348 0.1776 +1 349 -0.2928 +1 350 0.4745 +1 351 -0.1017 +1 352 -0.2394 +1 353 -0.2011 +1 354 0.1552 +1 355 0.5369 +1 356 -0.4776 +1 357 -0.0259 +1 358 -0.0311 +1 359 -0.0381 +1 360 -0.0418 +1 361 -0.2043 +1 362 0.1667 +1 363 0.5296 +1 364 -0.4702 +1 365 -0.0197 +1 366 -0.2040 +1 367 0.1614 +1 368 0.5358 +1 369 -0.4764 +1 370 -0.0147 +1 371 -0.2048 +1 372 0.1527 +1 373 0.5375 +1 374 -0.4781 +1 375 -0.0281 +1 376 -0.0208 +1 377 -0.0401 +1 378 -0.1999 +1 379 0.1690 +1 380 0.5428 +1 381 -0.4834 +1 382 -0.0075 +1 383 -0.0597 +1 384 0.7641 +1 385 -0.4349 +1 386 -0.2315 +1 387 -0.1973 +1 388 0.1617 +1 389 0.5363 +1 390 -0.4769 +1 391 -0.0208 +1 392 0.1445 +1 393 -0.3871 +1 394 0.1308 +1 395 0.3838 +1 396 -0.2158 +1 397 -0.1952 +1 398 0.1580 +1 399 0.5270 +1 400 -0.4676 +1 401 0.3038 +1 402 -0.2853 +1 403 -0.2054 +1 404 0.1671 +1 405 0.5459 +1 406 -0.4865 +1 407 -0.0190 +1 408 -0.2100 +1 409 0.1571 +1 410 0.5506 +1 411 -0.4912 +1 412 -0.0166 +1 413 -0.0323 +1 414 -0.0409 +1 415 -0.0402 +1 416 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-0.1729 +5 11518 -0.1726 +5 11519 -0.1728 +5 11520 -0.3018 +5 11521 -0.1726 diff --git a/package.json b/package.json index fa177f509c1fd14873d64e935d72c448cd5d23d4..3a90e26f8128f4e9c4299e6588c9638b61a65e63 100644 --- a/package.json +++ b/package.json @@ -97,7 +97,8 @@ "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>" ], "license": "MIT", "devDependencies": { diff --git a/src/apps/viewer/app.ts b/src/apps/viewer/app.ts index 47656082c51992aae0c97b9db91f9aa5ff32e1a3..f8098082005e87e8577158085103df25667198f7 100644 --- a/src/apps/viewer/app.ts +++ b/src/apps/viewer/app.ts @@ -48,6 +48,7 @@ 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'; export { PLUGIN_VERSION as version } from '../../mol-plugin/version'; export { setDebugMode, setProductionMode, setTimingMode, consoleStats } from '../../mol-util/debug'; @@ -71,6 +72,7 @@ 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 = { @@ -503,6 +505,8 @@ 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); } 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..23c8fd742200f284cbed57b327ac6bccf91dc4c7 --- /dev/null +++ b/src/extensions/sb-ncbr/partial-charges/labels.ts @@ -0,0 +1,39 @@ +import { StructureElement, StructureProperties } from '../../../mol-model/structure'; +import { LociLabel } from '../../../mol-plugin-state/manager/loci-label'; +import { SbNcbrPartialChargesPropertyProvider } 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; + 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..b4cecba869ed744a7d6b6e7b6b0239b55a5e8ebc --- /dev/null +++ b/src/extensions/sb-ncbr/partial-charges/property.ts @@ -0,0 +1,188 @@ +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; +} + +const PartialChargesPropertyParams = { + typeId: PD.Select<number>(0, [[0, '0']]), +}; +type PartialChargesPropertyParams = typeof PartialChargesPropertyParams; +const defaultPartialChargesPropertyParams = PD.clone(PartialChargesPropertyParams); + +function getParams(model: Model) { + const typeIdToMethod = getTypeIdToMethod(model); + const options = Array.from(typeIdToMethod.entries()).map( + ([typeId, method]) => [typeId, method] as [number, string] + ); + return { + typeId: PD.Select<number>(1, options), + }; +} + +async function getData(model: Model): Promise<CustomProperty.Data<SBNcbrPartialChargeData | undefined>> { + if (!SbNcbrPartialChargesPropertyProvider.isApplicable(model)) return { value: undefined }; + + 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); + + return { + value: { + typeIdToMethod, + typeIdToAtomIdToCharge, + typeIdToResidueToCharge, + maxAbsoluteAtomCharges, + maxAbsoluteResidueCharges, + maxAbsoluteAtomChargeAll, + }, + }; +} + +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 names = model.sourceData.data.frame.categoryNames; + return ( + names.includes('atom_site') && + names.includes('sb_ncbr_partial_atomic_charges') && + names.includes('sb_ncbr_partial_atomic_charges_meta') + ); +} + +export const SbNcbrPartialChargesPropertyProvider: CustomModelProperty.Provider< +PartialChargesPropertyParams, +SBNcbrPartialChargeData | undefined +> = CustomModelProperty.createProvider({ + label: 'SB NCBR Partial Charges Property Provider', + descriptor: CustomPropertyDescriptor({ + name: 'sb-ncbr-property-provider', + }), + type: 'static', + defaultParams: defaultPartialChargesPropertyParams, + getParams: (data: Model) => getParams(data), + isApplicable: (model: Model) => hasPartialChargesCategories(model), + obtain: (_ctx: CustomProperty.Context, model: Model) => getData(model), +});