data_5E4L # _entry.id 5E4L # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5E4L WWPDB D_1000214336 # _pdbx_database_related.db_name PDB _pdbx_database_related.details . _pdbx_database_related.db_id 5E4K _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5E4L _pdbx_database_status.recvd_initial_deposition_date 2015-10-06 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Yuan, C.' 1 'Huang, M.' 2 # _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 ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'to be published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Crystal structures of uPARAP, a member of mannose receptor family' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Yuan, C.' 1 primary 'Huang, M.' 2 # _cell.entry_id 5E4L _cell.length_a 74.270 _cell.length_b 102.700 _cell.length_c 87.760 _cell.angle_alpha 90.00 _cell.angle_beta 94.54 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5E4L _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'C-type mannose receptor 2' 55881.840 2 ? ? 'ligand binding region, UNP residues 31-510' ? 2 non-polymer syn 'CALCIUM ION' 40.078 6 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 4 water nat water 18.015 202 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name uPARAP # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;RSGAPGDAALPEPNIFLIFSHGLQGCLEAQGGQVRVTPACNTSLPAQRWKWVSRNRLFNLGTMQCLGTGWPGTNTTASLG MYECDREALNLRWHCRTLGDQLSLLLGARTSNISKPGTLERGDQTRSGQWRIYGSEEDLCALPYHEVYTIQGNSHGKPCT IPFKYDNQWFHGCTSTGREDGHLWCATTQDYGKDERWGFCPIKSNDCETFWDKDQLTDSCYQFNFQSTLSWREAWASCEQ QGADLLSITEIHEQTYINGLLTGYSSTLWIGLNDLDTSGGWQWSDNSPLKYLNWESDQPDNPSEENCGVIRTESSGGWQN RDCSIALPYVCKKKPNATAEPTPPDRWANVKVECEPSWQPFQGHCYRLQAEKRSWQESKKACLRGGGDLVSIHSMAELEF ITKQIKQEVEELWIGLNDLKLQMNFEWSDGSLVSFTHWHPFEPNNFRDSLEDCVTIWGPEGRWNDSPCNQSLPSICKKAG QLTRTGHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;RSGAPGDAALPEPNIFLIFSHGLQGCLEAQGGQVRVTPACNTSLPAQRWKWVSRNRLFNLGTMQCLGTGWPGTNTTASLG MYECDREALNLRWHCRTLGDQLSLLLGARTSNISKPGTLERGDQTRSGQWRIYGSEEDLCALPYHEVYTIQGNSHGKPCT IPFKYDNQWFHGCTSTGREDGHLWCATTQDYGKDERWGFCPIKSNDCETFWDKDQLTDSCYQFNFQSTLSWREAWASCEQ QGADLLSITEIHEQTYINGLLTGYSSTLWIGLNDLDTSGGWQWSDNSPLKYLNWESDQPDNPSEENCGVIRTESSGGWQN RDCSIALPYVCKKKPNATAEPTPPDRWANVKVECEPSWQPFQGHCYRLQAEKRSWQESKKACLRGGGDLVSIHSMAELEF ITKQIKQEVEELWIGLNDLKLQMNFEWSDGSLVSFTHWHPFEPNNFRDSLEDCVTIWGPEGRWNDSPCNQSLPSICKKAG QLTRTGHHHHHH ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ARG n 1 2 SER n 1 3 GLY n 1 4 ALA n 1 5 PRO n 1 6 GLY n 1 7 ASP n 1 8 ALA n 1 9 ALA n 1 10 LEU n 1 11 PRO n 1 12 GLU n 1 13 PRO n 1 14 ASN n 1 15 ILE n 1 16 PHE n 1 17 LEU n 1 18 ILE n 1 19 PHE n 1 20 SER n 1 21 HIS n 1 22 GLY n 1 23 LEU n 1 24 GLN n 1 25 GLY n 1 26 CYS n 1 27 LEU n 1 28 GLU n 1 29 ALA n 1 30 GLN n 1 31 GLY n 1 32 GLY n 1 33 GLN n 1 34 VAL n 1 35 ARG n 1 36 VAL n 1 37 THR n 1 38 PRO n 1 39 ALA n 1 40 CYS n 1 41 ASN n 1 42 THR n 1 43 SER n 1 44 LEU n 1 45 PRO n 1 46 ALA n 1 47 GLN n 1 48 ARG n 1 49 TRP n 1 50 LYS n 1 51 TRP n 1 52 VAL n 1 53 SER n 1 54 ARG n 1 55 ASN n 1 56 ARG n 1 57 LEU n 1 58 PHE n 1 59 ASN n 1 60 LEU n 1 61 GLY n 1 62 THR n 1 63 MET n 1 64 GLN n 1 65 CYS n 1 66 LEU n 1 67 GLY n 1 68 THR n 1 69 GLY n 1 70 TRP n 1 71 PRO n 1 72 GLY n 1 73 THR n 1 74 ASN n 1 75 THR n 1 76 THR n 1 77 ALA n 1 78 SER n 1 79 LEU n 1 80 GLY n 1 81 MET n 1 82 TYR n 1 83 GLU n 1 84 CYS n 1 85 ASP n 1 86 ARG n 1 87 GLU n 1 88 ALA n 1 89 LEU n 1 90 ASN n 1 91 LEU n 1 92 ARG n 1 93 TRP n 1 94 HIS n 1 95 CYS n 1 96 ARG n 1 97 THR n 1 98 LEU n 1 99 GLY n 1 100 ASP n 1 101 GLN n 1 102 LEU n 1 103 SER n 1 104 LEU n 1 105 LEU n 1 106 LEU n 1 107 GLY n 1 108 ALA n 1 109 ARG n 1 110 THR n 1 111 SER n 1 112 ASN n 1 113 ILE n 1 114 SER n 1 115 LYS n 1 116 PRO n 1 117 GLY n 1 118 THR n 1 119 LEU n 1 120 GLU n 1 121 ARG n 1 122 GLY n 1 123 ASP n 1 124 GLN n 1 125 THR n 1 126 ARG n 1 127 SER n 1 128 GLY n 1 129 GLN n 1 130 TRP n 1 131 ARG n 1 132 ILE n 1 133 TYR n 1 134 GLY n 1 135 SER n 1 136 GLU n 1 137 GLU n 1 138 ASP n 1 139 LEU n 1 140 CYS n 1 141 ALA n 1 142 LEU n 1 143 PRO n 1 144 TYR n 1 145 HIS n 1 146 GLU n 1 147 VAL n 1 148 TYR n 1 149 THR n 1 150 ILE n 1 151 GLN n 1 152 GLY n 1 153 ASN n 1 154 SER n 1 155 HIS n 1 156 GLY n 1 157 LYS n 1 158 PRO n 1 159 CYS n 1 160 THR n 1 161 ILE n 1 162 PRO n 1 163 PHE n 1 164 LYS n 1 165 TYR n 1 166 ASP n 1 167 ASN n 1 168 GLN n 1 169 TRP n 1 170 PHE n 1 171 HIS n 1 172 GLY n 1 173 CYS n 1 174 THR n 1 175 SER n 1 176 THR n 1 177 GLY n 1 178 ARG n 1 179 GLU n 1 180 ASP n 1 181 GLY n 1 182 HIS n 1 183 LEU n 1 184 TRP n 1 185 CYS n 1 186 ALA n 1 187 THR n 1 188 THR n 1 189 GLN n 1 190 ASP n 1 191 TYR n 1 192 GLY n 1 193 LYS n 1 194 ASP n 1 195 GLU n 1 196 ARG n 1 197 TRP n 1 198 GLY n 1 199 PHE n 1 200 CYS n 1 201 PRO n 1 202 ILE n 1 203 LYS n 1 204 SER n 1 205 ASN n 1 206 ASP n 1 207 CYS n 1 208 GLU n 1 209 THR n 1 210 PHE n 1 211 TRP n 1 212 ASP n 1 213 LYS n 1 214 ASP n 1 215 GLN n 1 216 LEU n 1 217 THR n 1 218 ASP n 1 219 SER n 1 220 CYS n 1 221 TYR n 1 222 GLN n 1 223 PHE n 1 224 ASN n 1 225 PHE n 1 226 GLN n 1 227 SER n 1 228 THR n 1 229 LEU n 1 230 SER n 1 231 TRP n 1 232 ARG n 1 233 GLU n 1 234 ALA n 1 235 TRP n 1 236 ALA n 1 237 SER n 1 238 CYS n 1 239 GLU n 1 240 GLN n 1 241 GLN n 1 242 GLY n 1 243 ALA n 1 244 ASP n 1 245 LEU n 1 246 LEU n 1 247 SER n 1 248 ILE n 1 249 THR n 1 250 GLU n 1 251 ILE n 1 252 HIS n 1 253 GLU n 1 254 GLN n 1 255 THR n 1 256 TYR n 1 257 ILE n 1 258 ASN n 1 259 GLY n 1 260 LEU n 1 261 LEU n 1 262 THR n 1 263 GLY n 1 264 TYR n 1 265 SER n 1 266 SER n 1 267 THR n 1 268 LEU n 1 269 TRP n 1 270 ILE n 1 271 GLY n 1 272 LEU n 1 273 ASN n 1 274 ASP n 1 275 LEU n 1 276 ASP n 1 277 THR n 1 278 SER n 1 279 GLY n 1 280 GLY n 1 281 TRP n 1 282 GLN n 1 283 TRP n 1 284 SER n 1 285 ASP n 1 286 ASN n 1 287 SER n 1 288 PRO n 1 289 LEU n 1 290 LYS n 1 291 TYR n 1 292 LEU n 1 293 ASN n 1 294 TRP n 1 295 GLU n 1 296 SER n 1 297 ASP n 1 298 GLN n 1 299 PRO n 1 300 ASP n 1 301 ASN n 1 302 PRO n 1 303 SER n 1 304 GLU n 1 305 GLU n 1 306 ASN n 1 307 CYS n 1 308 GLY n 1 309 VAL n 1 310 ILE n 1 311 ARG n 1 312 THR n 1 313 GLU n 1 314 SER n 1 315 SER n 1 316 GLY n 1 317 GLY n 1 318 TRP n 1 319 GLN n 1 320 ASN n 1 321 ARG n 1 322 ASP n 1 323 CYS n 1 324 SER n 1 325 ILE n 1 326 ALA n 1 327 LEU n 1 328 PRO n 1 329 TYR n 1 330 VAL n 1 331 CYS n 1 332 LYS n 1 333 LYS n 1 334 LYS n 1 335 PRO n 1 336 ASN n 1 337 ALA n 1 338 THR n 1 339 ALA n 1 340 GLU n 1 341 PRO n 1 342 THR n 1 343 PRO n 1 344 PRO n 1 345 ASP n 1 346 ARG n 1 347 TRP n 1 348 ALA n 1 349 ASN n 1 350 VAL n 1 351 LYS n 1 352 VAL n 1 353 GLU n 1 354 CYS n 1 355 GLU n 1 356 PRO n 1 357 SER n 1 358 TRP n 1 359 GLN n 1 360 PRO n 1 361 PHE n 1 362 GLN n 1 363 GLY n 1 364 HIS n 1 365 CYS n 1 366 TYR n 1 367 ARG n 1 368 LEU n 1 369 GLN n 1 370 ALA n 1 371 GLU n 1 372 LYS n 1 373 ARG n 1 374 SER n 1 375 TRP n 1 376 GLN n 1 377 GLU n 1 378 SER n 1 379 LYS n 1 380 LYS n 1 381 ALA n 1 382 CYS n 1 383 LEU n 1 384 ARG n 1 385 GLY n 1 386 GLY n 1 387 GLY n 1 388 ASP n 1 389 LEU n 1 390 VAL n 1 391 SER n 1 392 ILE n 1 393 HIS n 1 394 SER n 1 395 MET n 1 396 ALA n 1 397 GLU n 1 398 LEU n 1 399 GLU n 1 400 PHE n 1 401 ILE n 1 402 THR n 1 403 LYS n 1 404 GLN n 1 405 ILE n 1 406 LYS n 1 407 GLN n 1 408 GLU n 1 409 VAL n 1 410 GLU n 1 411 GLU n 1 412 LEU n 1 413 TRP n 1 414 ILE n 1 415 GLY n 1 416 LEU n 1 417 ASN n 1 418 ASP n 1 419 LEU n 1 420 LYS n 1 421 LEU n 1 422 GLN n 1 423 MET n 1 424 ASN n 1 425 PHE n 1 426 GLU n 1 427 TRP n 1 428 SER n 1 429 ASP n 1 430 GLY n 1 431 SER n 1 432 LEU n 1 433 VAL n 1 434 SER n 1 435 PHE n 1 436 THR n 1 437 HIS n 1 438 TRP n 1 439 HIS n 1 440 PRO n 1 441 PHE n 1 442 GLU n 1 443 PRO n 1 444 ASN n 1 445 ASN n 1 446 PHE n 1 447 ARG n 1 448 ASP n 1 449 SER n 1 450 LEU n 1 451 GLU n 1 452 ASP n 1 453 CYS n 1 454 VAL n 1 455 THR n 1 456 ILE n 1 457 TRP n 1 458 GLY n 1 459 PRO n 1 460 GLU n 1 461 GLY n 1 462 ARG n 1 463 TRP n 1 464 ASN n 1 465 ASP n 1 466 SER n 1 467 PRO n 1 468 CYS n 1 469 ASN n 1 470 GLN n 1 471 SER n 1 472 LEU n 1 473 PRO n 1 474 SER n 1 475 ILE n 1 476 CYS n 1 477 LYS n 1 478 LYS n 1 479 ALA n 1 480 GLY n 1 481 GLN n 1 482 LEU n 1 483 THR n 1 484 ARG n 1 485 THR n 1 486 GLY n 1 487 HIS n 1 488 HIS n 1 489 HIS n 1 490 HIS n 1 491 HIS n 1 492 HIS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 492 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'MRC2, CLEC13E, ENDO180, KIAA0709, UPARAP' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name 'fruit fly' _entity_src_gen.pdbx_host_org_scientific_name 'Drosophila melanogaster' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7227 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain 'S2 Cells' _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PMT/BIP _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.db_code MRC2_HUMAN _struct_ref.db_name UNP _struct_ref.details ? _struct_ref.entity_id 1 _struct_ref.id 1 _struct_ref.seq_align ? _struct_ref.seq_dif ? _struct_ref.pdbx_db_accession Q9UBG0 _struct_ref.pdbx_db_isoform ? _struct_ref.pdbx_seq_one_letter_code ;GAPGDAALPEPNVFLIFSHGLQGCLEAQGGQVRVTPACNTSLPAQRWKWVSRNRLFNLGTMQCLGTGWPGTNTTASLGMY ECDREALNLRWHCRTLGDQLSLLLGARTSNISKPGTLERGDQTRSGQWRIYGSEEDLCALPYHEVYTIQGNSHGKPCTIP FKYDNQWFHGCTSTGREDGHLWCATTQDYGKDERWGFCPIKSNDCETFWDKDQLTDSCYQFNFQSTLSWREAWASCEQQG ADLLSITEIHEQTYINGLLTGYSSTLWIGLNDLDTSGGWQWSDNSPLKYLNWESDQPDNPSEENCGVIRTESSGGWQNRD CSIALPYVCKKKPNATAEPTPPDRWANVKVECEPSWQPFQGHCYRLQAEKRSWQESKKACLRGGGDLVSIHSMAELEFIT KQIKQEVEELWIGLNDLKLQMNFEWSDGSLVSFTHWHPFEPNNFRDSLEDCVTIWGPEGRWNDSPCNQSLPSICKKAGQL ; _struct_ref.pdbx_align_begin 31 _struct_ref.pdbx_align_end ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5E4L A 3 ? 482 ? Q9UBG0 31 ? 510 ? 31 510 2 1 5E4L B 3 ? 482 ? Q9UBG0 31 ? 510 ? 31 510 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5E4L ARG A 1 ? UNP Q9UBG0 ? ? 'expression tag' 29 1 1 5E4L SER A 2 ? UNP Q9UBG0 ? ? 'expression tag' 30 2 1 5E4L ILE A 15 ? UNP Q9UBG0 VAL 43 variant 43 3 1 5E4L THR A 483 ? UNP Q9UBG0 ? ? 'expression tag' 511 4 1 5E4L ARG A 484 ? UNP Q9UBG0 ? ? 'expression tag' 512 5 1 5E4L THR A 485 ? UNP Q9UBG0 ? ? 'expression tag' 513 6 1 5E4L GLY A 486 ? UNP Q9UBG0 ? ? 'expression tag' 514 7 1 5E4L HIS A 487 ? UNP Q9UBG0 ? ? 'expression tag' 515 8 1 5E4L HIS A 488 ? UNP Q9UBG0 ? ? 'expression tag' 516 9 1 5E4L HIS A 489 ? UNP Q9UBG0 ? ? 'expression tag' 517 10 1 5E4L HIS A 490 ? UNP Q9UBG0 ? ? 'expression tag' 518 11 1 5E4L HIS A 491 ? UNP Q9UBG0 ? ? 'expression tag' 519 12 1 5E4L HIS A 492 ? UNP Q9UBG0 ? ? 'expression tag' 520 13 2 5E4L ARG B 1 ? UNP Q9UBG0 ? ? 'expression tag' 29 14 2 5E4L SER B 2 ? UNP Q9UBG0 ? ? 'expression tag' 30 15 2 5E4L ILE B 15 ? UNP Q9UBG0 VAL 43 variant 43 16 2 5E4L THR B 483 ? UNP Q9UBG0 ? ? 'expression tag' 511 17 2 5E4L ARG B 484 ? UNP Q9UBG0 ? ? 'expression tag' 512 18 2 5E4L THR B 485 ? UNP Q9UBG0 ? ? 'expression tag' 513 19 2 5E4L GLY B 486 ? UNP Q9UBG0 ? ? 'expression tag' 514 20 2 5E4L HIS B 487 ? UNP Q9UBG0 ? ? 'expression tag' 515 21 2 5E4L HIS B 488 ? UNP Q9UBG0 ? ? 'expression tag' 516 22 2 5E4L HIS B 489 ? UNP Q9UBG0 ? ? 'expression tag' 517 23 2 5E4L HIS B 490 ? UNP Q9UBG0 ? ? 'expression tag' 518 24 2 5E4L HIS B 491 ? UNP Q9UBG0 ? ? 'expression tag' 519 25 2 5E4L HIS B 492 ? UNP Q9UBG0 ? ? 'expression tag' 520 26 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5E4L _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.99 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 58.80 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 5.3 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '8-12% (w/v) PEG 3350, 200 mM NaCl, 35 mM CaCl2, 50 mM sodium acetate' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'ADSC QUANTUM 315' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-03-28 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.979 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SSRF BEAMLINE BL17U' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.979 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL17U _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5E4L _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.44 _reflns.d_resolution_low 54.430 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 48904 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.9 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 7.6 _reflns.pdbx_Rmerge_I_obs 0.085 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 16.2 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.44 _reflns_shell.d_res_low 2.53 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.9 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 99.9 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.71 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 7.7 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5E4L _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 48899 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.35 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 54.430 _refine.ls_d_res_high 2.440 _refine.ls_percent_reflns_obs 99.87 _refine.ls_R_factor_obs 0.2194 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.2173 _refine.ls_R_factor_R_free 0.2588 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.99 _refine.ls_number_reflns_R_free 2441 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.details ? _refine.pdbx_starting_model '1QO6, 1TDQ' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.34 _refine.pdbx_overall_phase_error 27.52 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 6511 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 34 _refine_hist.number_atoms_solvent 202 _refine_hist.number_atoms_total 6747 _refine_hist.d_res_high 2.440 _refine_hist.d_res_low 54.430 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.008 ? ? 6741 'X-RAY DIFFRACTION' ? f_angle_d 1.020 ? ? 9176 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 13.759 ? ? 3943 'X-RAY DIFFRACTION' ? f_chiral_restr 0.059 ? ? 938 'X-RAY DIFFRACTION' ? f_plane_restr 0.007 ? ? 1191 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 2.4400 2.4898 2720 0.2730 100.00 0.3106 . . 148 . . . . 'X-RAY DIFFRACTION' . 2.4898 2.5440 2720 0.2502 100.00 0.2974 . . 145 . . . . 'X-RAY DIFFRACTION' . 2.5440 2.6031 2702 0.2532 100.00 0.3048 . . 136 . . . . 'X-RAY DIFFRACTION' . 2.6031 2.6682 2716 0.2556 100.00 0.2577 . . 162 . . . . 'X-RAY DIFFRACTION' . 2.6682 2.7404 2732 0.2399 100.00 0.3527 . . 139 . . . . 'X-RAY DIFFRACTION' . 2.7404 2.8210 2733 0.2417 100.00 0.2824 . . 128 . . . . 'X-RAY DIFFRACTION' . 2.8210 2.9120 2716 0.2500 100.00 0.2937 . . 152 . . . . 'X-RAY DIFFRACTION' . 2.9120 3.0161 2729 0.2458 100.00 0.3163 . . 140 . . . . 'X-RAY DIFFRACTION' . 3.0161 3.1369 2750 0.2376 100.00 0.3158 . . 122 . . . . 'X-RAY DIFFRACTION' . 3.1369 3.2796 2706 0.2357 100.00 0.2903 . . 142 . . . . 'X-RAY DIFFRACTION' . 3.2796 3.4525 2731 0.2449 100.00 0.2783 . . 138 . . . . 'X-RAY DIFFRACTION' . 3.4525 3.6688 2775 0.2305 100.00 0.2603 . . 114 . . . . 'X-RAY DIFFRACTION' . 3.6688 3.9520 2774 0.2066 100.00 0.2702 . . 127 . . . . 'X-RAY DIFFRACTION' . 3.9520 4.3495 2711 0.1882 100.00 0.2789 . . 148 . . . . 'X-RAY DIFFRACTION' . 4.3495 4.9785 2728 0.1710 100.00 0.1868 . . 168 . . . . 'X-RAY DIFFRACTION' . 4.9785 6.2709 2738 0.1903 100.00 0.2024 . . 170 . . . . 'X-RAY DIFFRACTION' . 6.2709 54.4440 2777 0.2151 99.00 0.2495 . . 162 . . . . # _struct.entry_id 5E4L _struct.title 'Structure of ligand binding region of uPARAP at pH 5.3' _struct.pdbx_descriptor 'C-type mannose receptor 2' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5E4L _struct_keywords.text 'endocytic collagen receptor, SUGAR BINDING PROTEIN' _struct_keywords.pdbx_keywords 'SUGAR BINDING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 3 ? G N N 2 ? H N N 2 ? I N N 2 ? J N N 3 ? K N N 4 ? L N N 4 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 LEU A 44 ? GLN A 47 ? LEU A 72 GLN A 75 5 ? 4 HELX_P HELX_P2 AA2 SER A 53 ? ASN A 55 ? SER A 81 ASN A 83 5 ? 3 HELX_P HELX_P3 AA3 THR A 97 ? GLY A 107 ? THR A 125 GLY A 135 1 ? 11 HELX_P HELX_P4 AA4 ARG A 109 ? SER A 114 ? ARG A 137 SER A 142 1 ? 6 HELX_P HELX_P5 AA5 ASP A 190 ? GLU A 195 ? ASP A 218 GLU A 223 1 ? 6 HELX_P HELX_P6 AA6 SER A 230 ? GLN A 241 ? SER A 258 GLN A 269 1 ? 12 HELX_P HELX_P7 AA7 GLU A 250 ? THR A 262 ? GLU A 278 THR A 290 1 ? 13 HELX_P HELX_P8 AA8 SER A 374 ? ARG A 384 ? SER A 402 ARG A 412 1 ? 11 HELX_P HELX_P9 AA9 SER A 394 ? LYS A 403 ? SER A 422 LYS A 431 1 ? 10 HELX_P HELX_P10 AB1 LEU B 44 ? GLN B 47 ? LEU B 72 GLN B 75 5 ? 4 HELX_P HELX_P11 AB2 THR B 97 ? GLY B 107 ? THR B 125 GLY B 135 1 ? 11 HELX_P HELX_P12 AB3 ARG B 109 ? SER B 114 ? ARG B 137 SER B 142 1 ? 6 HELX_P HELX_P13 AB4 ASP B 190 ? GLU B 195 ? ASP B 218 GLU B 223 1 ? 6 HELX_P HELX_P14 AB5 SER B 230 ? GLN B 240 ? SER B 258 GLN B 268 1 ? 11 HELX_P HELX_P15 AB6 GLU B 250 ? LEU B 261 ? GLU B 278 LEU B 289 1 ? 12 # _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.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_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.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _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.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 26 SG ? ? ? 1_555 A CYS 40 SG ? ? A CYS 54 A CYS 68 1_555 ? ? ? ? ? ? ? 2.070 ? disulf2 disulf ? ? A CYS 65 SG ? ? ? 1_555 A CYS 84 SG ? ? A CYS 93 A CYS 112 1_555 ? ? ? ? ? ? ? 2.040 ? disulf3 disulf ? ? A CYS 95 SG ? ? ? 1_555 A CYS 140 SG ? ? A CYS 123 A CYS 168 1_555 ? ? ? ? ? ? ? 2.043 ? disulf4 disulf ? ? A CYS 159 SG ? ? ? 1_555 A CYS 185 SG ? ? A CYS 187 A CYS 213 1_555 ? ? ? ? ? ? ? 2.044 ? disulf5 disulf ? ? A CYS 173 SG ? ? ? 1_555 A CYS 200 SG ? ? A CYS 201 A CYS 228 1_555 ? ? ? ? ? ? ? 2.055 ? disulf6 disulf ? ? A CYS 207 SG ? ? ? 1_555 A CYS 220 SG ? ? A CYS 235 A CYS 248 1_555 ? ? ? ? ? ? ? 2.020 ? disulf7 disulf ? ? A CYS 238 SG ? ? ? 1_555 A CYS 331 SG ? ? A CYS 266 A CYS 359 1_555 ? ? ? ? ? ? ? 2.049 ? disulf8 disulf ? ? A CYS 307 SG ? ? ? 1_555 A CYS 323 SG ? ? A CYS 335 A CYS 351 1_555 ? ? ? ? ? ? ? 2.036 ? disulf9 disulf ? ? A CYS 382 SG ? ? ? 1_555 A CYS 476 SG ? ? A CYS 410 A CYS 504 1_555 ? ? ? ? ? ? ? 2.052 ? disulf10 disulf ? ? A CYS 453 SG ? ? ? 1_555 A CYS 468 SG ? ? A CYS 481 A CYS 496 1_555 ? ? ? ? ? ? ? 2.051 ? disulf11 disulf ? ? B CYS 26 SG ? ? ? 1_555 B CYS 40 SG ? ? B CYS 54 B CYS 68 1_555 ? ? ? ? ? ? ? 2.068 ? disulf12 disulf ? ? B CYS 65 SG ? ? ? 1_555 B CYS 84 SG ? ? B CYS 93 B CYS 112 1_555 ? ? ? ? ? ? ? 2.048 ? disulf13 disulf ? ? B CYS 95 SG ? ? ? 1_555 B CYS 140 SG ? ? B CYS 123 B CYS 168 1_555 ? ? ? ? ? ? ? 2.055 ? disulf14 disulf ? ? B CYS 159 SG ? ? ? 1_555 B CYS 185 SG ? ? B CYS 187 B CYS 213 1_555 ? ? ? ? ? ? ? 2.028 ? disulf15 disulf ? ? B CYS 173 SG ? ? ? 1_555 B CYS 200 SG ? ? B CYS 201 B CYS 228 1_555 ? ? ? ? ? ? ? 2.006 ? disulf16 disulf ? ? B CYS 207 SG ? ? ? 1_555 B CYS 220 SG ? ? B CYS 235 B CYS 248 1_555 ? ? ? ? ? ? ? 2.020 ? disulf17 disulf ? ? B CYS 238 SG ? ? ? 1_555 B CYS 331 SG ? ? B CYS 266 B CYS 359 1_555 ? ? ? ? ? ? ? 2.059 ? disulf18 disulf ? ? B CYS 307 SG ? ? ? 1_555 B CYS 323 SG ? ? B CYS 335 B CYS 351 1_555 ? ? ? ? ? ? ? 2.034 ? covale1 covale one ? A ASN 41 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 69 A NAG 604 1_555 ? ? ? ? ? ? ? 1.440 ? metalc1 metalc ? ? A GLN 298 OE1 ? ? ? 1_555 E CA . CA ? ? A GLN 326 A CA 603 1_555 ? ? ? ? ? ? ? 2.390 ? metalc2 metalc ? ? A ASP 300 OD1 ? ? ? 1_555 E CA . CA ? ? A ASP 328 A CA 603 1_555 ? ? ? ? ? ? ? 2.279 ? metalc3 metalc ? ? A GLU 305 OE1 ? ? ? 1_555 E CA . CA ? ? A GLU 333 A CA 603 1_555 ? ? ? ? ? ? ? 2.420 ? metalc4 metalc ? ? A ASN 320 O ? ? ? 1_555 E CA . CA ? ? A ASN 348 A CA 603 1_555 ? ? ? ? ? ? ? 2.642 ? metalc5 metalc ? ? A ASN 320 OD1 ? ? ? 1_555 E CA . CA ? ? A ASN 348 A CA 603 1_555 ? ? ? ? ? ? ? 2.381 ? metalc6 metalc ? ? A ASP 418 OD1 ? ? ? 1_555 C CA . CA ? ? A ASP 446 A CA 601 1_555 ? ? ? ? ? ? ? 2.855 ? metalc7 metalc ? ? A ASP 418 OD2 ? ? ? 1_555 C CA . CA ? ? A ASP 446 A CA 601 1_555 ? ? ? ? ? ? ? 2.282 ? metalc8 metalc ? ? A GLN 422 OE1 ? ? ? 1_555 C CA . CA ? ? A GLN 450 A CA 601 1_555 ? ? ? ? ? ? ? 2.902 ? metalc9 metalc ? ? A GLU 442 OE1 ? ? ? 1_555 D CA . CA ? ? A GLU 470 A CA 602 1_555 ? ? ? ? ? ? ? 2.455 ? metalc10 metalc ? ? A GLU 442 OE2 ? ? ? 1_555 D CA . CA ? ? A GLU 470 A CA 602 1_555 ? ? ? ? ? ? ? 3.053 ? metalc11 metalc ? ? A ASN 444 OD1 ? ? ? 1_555 D CA . CA ? ? A ASN 472 A CA 602 1_555 ? ? ? ? ? ? ? 2.249 ? metalc12 metalc ? ? A ASN 445 OD1 ? ? ? 1_555 C CA . CA ? ? A ASN 473 A CA 601 1_555 ? ? ? ? ? ? ? 2.867 ? metalc13 metalc ? ? A GLU 451 O ? ? ? 1_555 C CA . CA ? ? A GLU 479 A CA 601 1_555 ? ? ? ? ? ? ? 2.565 ? metalc14 metalc ? ? A GLU 451 OE1 ? ? ? 1_555 D CA . CA ? ? A GLU 479 A CA 602 1_555 ? ? ? ? ? ? ? 2.701 ? metalc15 metalc ? ? A ASP 452 OD1 ? ? ? 1_555 C CA . CA ? ? A ASP 480 A CA 601 1_555 ? ? ? ? ? ? ? 2.537 ? metalc16 metalc ? ? A ASN 464 OD1 ? ? ? 1_555 D CA . CA ? ? A ASN 492 A CA 602 1_555 ? ? ? ? ? ? ? 2.339 ? metalc17 metalc ? ? A ASP 465 O ? ? ? 1_555 D CA . CA ? ? A ASP 493 A CA 602 1_555 ? ? ? ? ? ? ? 2.352 ? metalc18 metalc ? ? A ASP 465 OD1 ? ? ? 1_555 D CA . CA ? ? A ASP 493 A CA 602 1_555 ? ? ? ? ? ? ? 2.759 ? covale2 covale one ? B ASN 41 ND2 ? ? ? 1_555 J NAG . C1 ? ? B ASN 69 B NAG 604 1_555 ? ? ? ? ? ? ? 1.456 ? metalc19 metalc ? ? B GLN 298 OE1 ? ? ? 1_555 I CA . CA ? ? B GLN 326 B CA 603 1_555 ? ? ? ? ? ? ? 2.741 ? metalc20 metalc ? ? B GLU 305 OE1 ? ? ? 1_555 I CA . CA ? ? B GLU 333 B CA 603 1_555 ? ? ? ? ? ? ? 2.394 ? metalc21 metalc ? ? B GLU 305 OE2 ? ? ? 1_555 I CA . CA ? ? B GLU 333 B CA 603 1_555 ? ? ? ? ? ? ? 3.057 ? metalc22 metalc ? ? B ASN 320 O ? ? ? 1_555 I CA . CA ? ? B ASN 348 B CA 603 1_555 ? ? ? ? ? ? ? 3.143 ? metalc23 metalc ? ? B ASP 418 OD1 ? ? ? 1_555 G CA . CA ? ? B ASP 446 B CA 601 1_555 ? ? ? ? ? ? ? 2.887 ? metalc24 metalc ? ? B ASP 418 OD2 ? ? ? 1_555 G CA . CA ? ? B ASP 446 B CA 601 1_555 ? ? ? ? ? ? ? 2.478 ? metalc25 metalc ? ? B GLN 422 OE1 ? ? ? 1_555 G CA . CA ? ? B GLN 450 B CA 601 1_555 ? ? ? ? ? ? ? 2.381 ? metalc26 metalc ? ? B ASN 444 OD1 ? ? ? 1_555 H CA . CA ? ? B ASN 472 B CA 602 1_555 ? ? ? ? ? ? ? 2.334 ? metalc27 metalc ? ? B ASN 445 OD1 ? ? ? 1_555 G CA . CA ? ? B ASN 473 B CA 601 1_555 ? ? ? ? ? ? ? 2.834 ? metalc28 metalc ? ? B GLU 451 O ? ? ? 1_555 G CA . CA ? ? B GLU 479 B CA 601 1_555 ? ? ? ? ? ? ? 3.138 ? metalc29 metalc ? ? B GLU 451 OE1 ? ? ? 1_555 H CA . CA ? ? B GLU 479 B CA 602 1_555 ? ? ? ? ? ? ? 2.966 ? metalc30 metalc ? ? B ASN 464 OD1 ? ? ? 1_555 H CA . CA ? ? B ASN 492 B CA 602 1_555 ? ? ? ? ? ? ? 2.321 ? metalc31 metalc ? ? B ASP 465 O ? ? ? 1_555 H CA . CA ? ? B ASP 493 B CA 602 1_555 ? ? ? ? ? ? ? 2.369 ? metalc32 metalc ? ? B ASP 465 OD1 ? ? ? 1_555 H CA . CA ? ? B ASP 493 B CA 602 1_555 ? ? ? ? ? ? ? 3.119 ? metalc33 metalc ? ? C CA . CA ? ? ? 1_555 K HOH . O ? ? A CA 601 A HOH 705 1_555 ? ? ? ? ? ? ? 2.579 ? metalc34 metalc ? ? D CA . CA ? ? ? 1_555 K HOH . O ? ? A CA 602 A HOH 758 1_555 ? ? ? ? ? ? ? 2.865 ? metalc35 metalc ? ? D CA . CA ? ? ? 1_555 K HOH . O ? ? A CA 602 A HOH 722 1_555 ? ? ? ? ? ? ? 2.658 ? metalc36 metalc ? ? E CA . CA ? ? ? 1_555 K HOH . O ? ? A CA 603 A HOH 788 1_555 ? ? ? ? ? ? ? 2.526 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ILE 161 A . ? ILE 189 A PRO 162 A ? PRO 190 A 1 -9.16 2 GLN 298 A . ? GLN 326 A PRO 299 A ? PRO 327 A 1 -0.86 3 GLU 442 A . ? GLU 470 A PRO 443 A ? PRO 471 A 1 -3.83 4 ILE 161 B . ? ILE 189 B PRO 162 B ? PRO 190 B 1 -4.31 5 GLN 298 B . ? GLN 326 B PRO 299 B ? PRO 327 B 1 -0.96 6 GLU 442 B . ? GLU 470 B PRO 443 B ? PRO 471 B 1 -3.03 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 5 ? AA2 ? 4 ? AA3 ? 2 ? AA4 ? 2 ? AA5 ? 4 ? AA6 ? 3 ? AA7 ? 3 ? AA8 ? 4 ? AA9 ? 5 ? AB1 ? 4 ? AB2 ? 2 ? AB3 ? 2 ? AB4 ? 4 ? AB5 ? 4 ? AB6 ? 2 ? AB7 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AA9 4 5 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB2 1 2 ? anti-parallel AB3 1 2 ? anti-parallel AB4 1 2 ? anti-parallel AB4 2 3 ? anti-parallel AB4 3 4 ? anti-parallel AB5 1 2 ? anti-parallel AB5 2 3 ? anti-parallel AB5 3 4 ? anti-parallel AB6 1 2 ? anti-parallel AB7 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 ILE A 15 ? PHE A 16 ? ILE A 43 PHE A 44 AA1 2 TRP A 49 ? VAL A 52 ? TRP A 77 VAL A 80 AA1 3 ARG A 56 ? ASN A 59 ? ARG A 84 ASN A 87 AA1 4 GLN A 64 ? GLY A 67 ? GLN A 92 GLY A 95 AA1 5 GLY A 80 ? TYR A 82 ? GLY A 108 TYR A 110 AA2 1 GLN A 33 ? THR A 37 ? GLN A 61 THR A 65 AA2 2 GLY A 25 ? GLN A 30 ? GLY A 53 GLN A 58 AA2 3 ILE A 18 ? SER A 20 ? ILE A 46 SER A 48 AA2 4 TRP A 130 ? ILE A 132 ? TRP A 158 ILE A 160 AA3 1 PHE A 163 ? TYR A 165 ? PHE A 191 TYR A 193 AA3 2 GLN A 168 ? PHE A 170 ? GLN A 196 PHE A 198 AA4 1 TRP A 184 ? ALA A 186 ? TRP A 212 ALA A 214 AA4 2 TRP A 197 ? PHE A 199 ? TRP A 225 PHE A 227 AA5 1 ASP A 212 ? LYS A 213 ? ASP A 240 LYS A 241 AA5 2 CYS A 220 ? PHE A 223 ? CYS A 248 PHE A 251 AA5 3 VAL A 330 ? LYS A 333 ? VAL A 358 LYS A 361 AA5 4 ASP A 244 ? LEU A 245 ? ASP A 272 LEU A 273 AA6 1 THR A 267 ? ASN A 273 ? THR A 295 ASN A 301 AA6 2 CYS A 307 ? ARG A 311 ? CYS A 335 ARG A 339 AA6 3 TRP A 318 ? ARG A 321 ? TRP A 346 ARG A 349 AA7 1 LEU A 368 ? ARG A 373 ? LEU A 396 ARG A 401 AA7 2 LEU A 472 ? LYS A 477 ? LEU A 500 LYS A 505 AA7 3 ASP A 388 ? LEU A 389 ? ASP A 416 LEU A 417 AA8 1 ASN A 424 ? TRP A 427 ? ASN A 452 TRP A 455 AA8 2 TRP A 413 ? LEU A 421 ? TRP A 441 LEU A 449 AA8 3 CYS A 453 ? THR A 455 ? CYS A 481 THR A 483 AA8 4 ASN A 464 ? SER A 466 ? ASN A 492 SER A 494 AA9 1 ILE B 15 ? PHE B 16 ? ILE B 43 PHE B 44 AA9 2 TRP B 49 ? VAL B 52 ? TRP B 77 VAL B 80 AA9 3 ARG B 56 ? ASN B 59 ? ARG B 84 ASN B 87 AA9 4 GLN B 64 ? GLY B 67 ? GLN B 92 GLY B 95 AA9 5 GLY B 80 ? TYR B 82 ? GLY B 108 TYR B 110 AB1 1 GLN B 33 ? THR B 37 ? GLN B 61 THR B 65 AB1 2 GLY B 25 ? GLN B 30 ? GLY B 53 GLN B 58 AB1 3 ILE B 18 ? SER B 20 ? ILE B 46 SER B 48 AB1 4 TRP B 130 ? ILE B 132 ? TRP B 158 ILE B 160 AB2 1 PHE B 163 ? TYR B 165 ? PHE B 191 TYR B 193 AB2 2 GLN B 168 ? PHE B 170 ? GLN B 196 PHE B 198 AB3 1 TRP B 184 ? ALA B 186 ? TRP B 212 ALA B 214 AB3 2 TRP B 197 ? PHE B 199 ? TRP B 225 PHE B 227 AB4 1 ASP B 212 ? LYS B 213 ? ASP B 240 LYS B 241 AB4 2 CYS B 220 ? LEU B 229 ? CYS B 248 LEU B 257 AB4 3 LEU B 327 ? LYS B 333 ? LEU B 355 LYS B 361 AB4 4 ASP B 244 ? LEU B 245 ? ASP B 272 LEU B 273 AB5 1 GLN B 282 ? TRP B 283 ? GLN B 310 TRP B 311 AB5 2 THR B 267 ? ASN B 273 ? THR B 295 ASN B 301 AB5 3 CYS B 307 ? ARG B 311 ? CYS B 335 ARG B 339 AB5 4 GLY B 317 ? ARG B 321 ? GLY B 345 ARG B 349 AB6 1 LEU B 416 ? LEU B 421 ? LEU B 444 LEU B 449 AB6 2 ASN B 424 ? TRP B 427 ? ASN B 452 TRP B 455 AB7 1 CYS B 453 ? VAL B 454 ? CYS B 481 VAL B 482 AB7 2 ASP B 465 ? SER B 466 ? ASP B 493 SER B 494 # 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_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N PHE A 16 ? N PHE A 44 O TRP A 49 ? O TRP A 77 AA1 2 3 N LYS A 50 ? N LYS A 78 O PHE A 58 ? O PHE A 86 AA1 3 4 N ASN A 59 ? N ASN A 87 O GLN A 64 ? O GLN A 92 AA1 4 5 N CYS A 65 ? N CYS A 93 O TYR A 82 ? O TYR A 110 AA2 1 2 O GLN A 33 ? O GLN A 61 N GLN A 30 ? N GLN A 58 AA2 2 3 O GLY A 25 ? O GLY A 53 N SER A 20 ? N SER A 48 AA2 3 4 N PHE A 19 ? N PHE A 47 O ARG A 131 ? O ARG A 159 AA3 1 2 N TYR A 165 ? N TYR A 193 O GLN A 168 ? O GLN A 196 AA4 1 2 N CYS A 185 ? N CYS A 213 O GLY A 198 ? O GLY A 226 AA5 1 2 N ASP A 212 ? N ASP A 240 O TYR A 221 ? O TYR A 249 AA5 2 3 N CYS A 220 ? N CYS A 248 O LYS A 333 ? O LYS A 361 AA5 3 4 O LYS A 332 ? O LYS A 360 N ASP A 244 ? N ASP A 272 AA6 1 2 N LEU A 272 ? N LEU A 300 O GLY A 308 ? O GLY A 336 AA6 2 3 N CYS A 307 ? N CYS A 335 O ARG A 321 ? O ARG A 349 AA7 1 2 N ARG A 373 ? N ARG A 401 O LEU A 472 ? O LEU A 500 AA7 2 3 O LYS A 477 ? O LYS A 505 N ASP A 388 ? N ASP A 416 AA8 1 2 O GLU A 426 ? O GLU A 454 N ASN A 417 ? N ASN A 445 AA8 2 3 N ILE A 414 ? N ILE A 442 O VAL A 454 ? O VAL A 482 AA8 3 4 N THR A 455 ? N THR A 483 O ASN A 464 ? O ASN A 492 AA9 1 2 N PHE B 16 ? N PHE B 44 O TRP B 49 ? O TRP B 77 AA9 2 3 N LYS B 50 ? N LYS B 78 O PHE B 58 ? O PHE B 86 AA9 3 4 N ASN B 59 ? N ASN B 87 O GLN B 64 ? O GLN B 92 AA9 4 5 N CYS B 65 ? N CYS B 93 O TYR B 82 ? O TYR B 110 AB1 1 2 O ARG B 35 ? O ARG B 63 N GLU B 28 ? N GLU B 56 AB1 2 3 O LEU B 27 ? O LEU B 55 N ILE B 18 ? N ILE B 46 AB1 3 4 N PHE B 19 ? N PHE B 47 O ARG B 131 ? O ARG B 159 AB2 1 2 N TYR B 165 ? N TYR B 193 O GLN B 168 ? O GLN B 196 AB3 1 2 N CYS B 185 ? N CYS B 213 O GLY B 198 ? O GLY B 226 AB4 1 2 N ASP B 212 ? N ASP B 240 O TYR B 221 ? O TYR B 249 AB4 2 3 N CYS B 220 ? N CYS B 248 O LYS B 333 ? O LYS B 361 AB4 3 4 O LYS B 332 ? O LYS B 360 N ASP B 244 ? N ASP B 272 AB5 1 2 O GLN B 282 ? O GLN B 310 N ASN B 273 ? N ASN B 301 AB5 2 3 N LEU B 272 ? N LEU B 300 O GLY B 308 ? O GLY B 336 AB5 3 4 N CYS B 307 ? N CYS B 335 O ARG B 321 ? O ARG B 349 AB6 1 2 N ASN B 417 ? N ASN B 445 O GLU B 426 ? O GLU B 454 AB7 1 2 N CYS B 453 ? N CYS B 481 O SER B 466 ? O SER B 494 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A CA 601 ? 6 'binding site for residue CA A 601' AC2 Software A CA 602 ? 7 'binding site for residue CA A 602' AC3 Software A CA 603 ? 5 'binding site for residue CA A 603' AC4 Software B CA 601 ? 5 'binding site for residue CA B 601' AC5 Software B CA 602 ? 5 'binding site for residue CA B 602' AC6 Software B CA 603 ? 3 'binding site for residue CA B 603' AC7 Software A NAG 604 ? 1 'binding site for Mono-Saccharide NAG A 604 bound to ASN A 69' AC8 Software B NAG 604 ? 2 'binding site for Mono-Saccharide NAG B 604 bound to ASN B 69' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 ASP A 418 ? ASP A 446 . ? 1_555 ? 2 AC1 6 GLN A 422 ? GLN A 450 . ? 1_555 ? 3 AC1 6 ASN A 445 ? ASN A 473 . ? 1_555 ? 4 AC1 6 GLU A 451 ? GLU A 479 . ? 1_555 ? 5 AC1 6 ASP A 452 ? ASP A 480 . ? 1_555 ? 6 AC1 6 HOH K . ? HOH A 705 . ? 1_555 ? 7 AC2 7 GLU A 442 ? GLU A 470 . ? 1_555 ? 8 AC2 7 ASN A 444 ? ASN A 472 . ? 1_555 ? 9 AC2 7 GLU A 451 ? GLU A 479 . ? 1_555 ? 10 AC2 7 ASN A 464 ? ASN A 492 . ? 1_555 ? 11 AC2 7 ASP A 465 ? ASP A 493 . ? 1_555 ? 12 AC2 7 HOH K . ? HOH A 722 . ? 1_555 ? 13 AC2 7 HOH K . ? HOH A 758 . ? 1_555 ? 14 AC3 5 GLN A 298 ? GLN A 326 . ? 1_555 ? 15 AC3 5 ASP A 300 ? ASP A 328 . ? 1_555 ? 16 AC3 5 GLU A 305 ? GLU A 333 . ? 1_555 ? 17 AC3 5 ASN A 320 ? ASN A 348 . ? 1_555 ? 18 AC3 5 HOH K . ? HOH A 788 . ? 1_555 ? 19 AC4 5 ASP B 418 ? ASP B 446 . ? 1_555 ? 20 AC4 5 GLN B 422 ? GLN B 450 . ? 1_555 ? 21 AC4 5 ASN B 445 ? ASN B 473 . ? 1_555 ? 22 AC4 5 GLU B 451 ? GLU B 479 . ? 1_555 ? 23 AC4 5 ASP B 452 ? ASP B 480 . ? 1_555 ? 24 AC5 5 GLU B 442 ? GLU B 470 . ? 1_555 ? 25 AC5 5 ASN B 444 ? ASN B 472 . ? 1_555 ? 26 AC5 5 GLU B 451 ? GLU B 479 . ? 1_555 ? 27 AC5 5 ASN B 464 ? ASN B 492 . ? 1_555 ? 28 AC5 5 ASP B 465 ? ASP B 493 . ? 1_555 ? 29 AC6 3 GLN B 298 ? GLN B 326 . ? 1_555 ? 30 AC6 3 GLU B 305 ? GLU B 333 . ? 1_555 ? 31 AC6 3 ASN B 320 ? ASN B 348 . ? 1_555 ? 32 AC7 1 ASN A 41 ? ASN A 69 . ? 1_555 ? 33 AC8 2 ASN B 41 ? ASN B 69 . ? 1_555 ? 34 AC8 2 SER B 43 ? SER B 71 . ? 1_555 ? # _atom_sites.entry_id 5E4L _atom_sites.fract_transf_matrix[1][1] 0.013464 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.001069 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.009737 _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] 0.011431 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA N O S # loop_ _atom_site.group_PDB _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_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLU A 1 12 ? 204.349 -7.249 98.211 1.00 95.14 ? 40 GLU A N 1 ATOM 2 C CA . GLU A 1 12 ? 205.160 -8.434 97.951 1.00 76.42 ? 40 GLU A CA 1 ATOM 3 C C . GLU A 1 12 ? 206.389 -8.431 98.858 1.00 65.49 ? 40 GLU A C 1 ATOM 4 O O . GLU A 1 12 ? 207.044 -7.398 99.025 1.00 57.41 ? 40 GLU A O 1 ATOM 5 C CB . GLU A 1 12 ? 205.575 -8.497 96.474 1.00 69.14 ? 40 GLU A CB 1 ATOM 6 C CG . GLU A 1 12 ? 206.080 -9.862 96.021 1.00 52.98 ? 40 GLU A CG 1 ATOM 7 C CD . GLU A 1 12 ? 206.574 -9.883 94.578 1.00 49.75 ? 40 GLU A CD 1 ATOM 8 O OE1 . GLU A 1 12 ? 206.265 -8.941 93.801 1.00 46.56 ? 40 GLU A OE1 1 ATOM 9 O OE2 . GLU A 1 12 ? 207.285 -10.864 94.223 1.00 49.06 ? 40 GLU A OE2 1 ATOM 10 N N . PRO A 1 13 ? 206.690 -9.575 99.465 1.00 68.56 ? 41 PRO A N 1 ATOM 11 C CA . PRO A 1 13 ? 207.821 -9.638 100.390 1.00 65.73 ? 41 PRO A CA 1 ATOM 12 C C . PRO A 1 13 ? 209.147 -9.743 99.658 1.00 53.32 ? 41 PRO A C 1 ATOM 13 O O . PRO A 1 13 ? 209.236 -10.272 98.543 1.00 38.04 ? 41 PRO A O 1 ATOM 14 C CB . PRO A 1 13 ? 207.536 -10.907 101.198 1.00 65.27 ? 41 PRO A CB 1 ATOM 15 C CG . PRO A 1 13 ? 206.856 -11.802 100.206 1.00 59.70 ? 41 PRO A CG 1 ATOM 16 C CD . PRO A 1 13 ? 206.011 -10.879 99.342 1.00 65.91 ? 41 PRO A CD 1 ATOM 17 N N . ASN A 1 14 ? 210.188 -9.234 100.314 1.00 58.49 ? 42 ASN A N 1 ATOM 18 C CA . ASN A 1 14 ? 211.571 -9.334 99.877 1.00 49.01 ? 42 ASN A CA 1 ATOM 19 C C . ASN A 1 14 ? 211.890 -8.393 98.728 1.00 37.40 ? 42 ASN A C 1 ATOM 20 O O . ASN A 1 14 ? 212.972 -8.514 98.169 1.00 35.00 ? 42 ASN A O 1 ATOM 21 C CB . ASN A 1 14 ? 211.969 -10.770 99.497 1.00 42.63 ? 42 ASN A CB 1 ATOM 22 C CG . ASN A 1 14 ? 211.870 -11.707 100.674 1.00 42.80 ? 42 ASN A CG 1 ATOM 23 O OD1 . ASN A 1 14 ? 212.298 -11.379 101.782 1.00 51.10 ? 42 ASN A OD1 1 ATOM 24 N ND2 . ASN A 1 14 ? 211.282 -12.867 100.450 1.00 42.46 ? 42 ASN A ND2 1 ATOM 25 N N . ILE A 1 15 ? 210.958 -7.554 98.289 1.00 38.92 ? 43 ILE A N 1 ATOM 26 C CA . ILE A 1 15 ? 211.239 -6.490 97.331 1.00 37.73 ? 43 ILE A CA 1 ATOM 27 C C . ILE A 1 15 ? 211.712 -5.244 98.078 1.00 41.46 ? 43 ILE A C 1 ATOM 28 O O . ILE A 1 15 ? 211.098 -4.831 99.063 1.00 49.86 ? 43 ILE A O 1 ATOM 29 C CB . ILE A 1 15 ? 209.994 -6.170 96.494 1.00 36.32 ? 43 ILE A CB 1 ATOM 30 C CG1 . ILE A 1 15 ? 209.341 -7.462 95.989 1.00 35.55 ? 43 ILE A CG1 1 ATOM 31 C CG2 . ILE A 1 15 ? 210.355 -5.244 95.352 1.00 35.77 ? 43 ILE A CG2 1 ATOM 32 C CD1 . ILE A 1 15 ? 210.179 -8.214 95.039 1.00 33.97 ? 43 ILE A CD1 1 ATOM 33 N N . PHE A 1 16 ? 212.775 -4.609 97.587 1.00 36.60 ? 44 PHE A N 1 ATOM 34 C CA . PHE A 1 16 ? 213.321 -3.447 98.271 1.00 38.41 ? 44 PHE A CA 1 ATOM 35 C C . PHE A 1 16 ? 213.772 -2.405 97.257 1.00 36.98 ? 44 PHE A C 1 ATOM 36 O O . PHE A 1 16 ? 214.053 -2.708 96.091 1.00 35.58 ? 44 PHE A O 1 ATOM 37 C CB . PHE A 1 16 ? 214.488 -3.823 99.211 1.00 39.10 ? 44 PHE A CB 1 ATOM 38 C CG . PHE A 1 16 ? 215.572 -4.656 98.563 1.00 36.32 ? 44 PHE A CG 1 ATOM 39 C CD1 . PHE A 1 16 ? 215.377 -6.023 98.319 1.00 35.49 ? 44 PHE A CD1 1 ATOM 40 C CD2 . PHE A 1 16 ? 216.796 -4.088 98.223 1.00 35.80 ? 44 PHE A CD2 1 ATOM 41 C CE1 . PHE A 1 16 ? 216.375 -6.791 97.736 1.00 34.30 ? 44 PHE A CE1 1 ATOM 42 C CE2 . PHE A 1 16 ? 217.800 -4.857 97.644 1.00 34.60 ? 44 PHE A CE2 1 ATOM 43 C CZ . PHE A 1 16 ? 217.588 -6.207 97.398 1.00 33.92 ? 44 PHE A CZ 1 ATOM 44 N N . LEU A 1 17 ? 213.786 -1.164 97.707 1.00 38.15 ? 45 LEU A N 1 ATOM 45 C CA . LEU A 1 17 ? 214.469 -0.096 97.008 1.00 37.65 ? 45 LEU A CA 1 ATOM 46 C C . LEU A 1 17 ? 215.863 0.046 97.594 1.00 37.55 ? 45 LEU A C 1 ATOM 47 O O . LEU A 1 17 ? 216.081 -0.219 98.778 1.00 38.62 ? 45 LEU A O 1 ATOM 48 C CB . LEU A 1 17 ? 213.705 1.219 97.138 1.00 39.07 ? 45 LEU A CB 1 ATOM 49 C CG . LEU A 1 17 ? 212.651 1.498 96.079 1.00 38.96 ? 45 LEU A CG 1 ATOM 50 C CD1 . LEU A 1 17 ? 211.629 0.379 95.962 1.00 38.91 ? 45 LEU A CD1 1 ATOM 51 C CD2 . LEU A 1 17 ? 211.975 2.795 96.414 1.00 40.72 ? 45 LEU A CD2 1 ATOM 52 N N . ILE A 1 18 ? 216.813 0.422 96.742 1.00 36.36 ? 46 ILE A N 1 ATOM 53 C CA . ILE A 1 18 ? 218.211 0.588 97.122 1.00 36.19 ? 46 ILE A CA 1 ATOM 54 C C . ILE A 1 18 ? 218.526 2.088 97.213 1.00 36.84 ? 46 ILE A C 1 ATOM 55 O O . ILE A 1 18 ? 218.550 2.803 96.206 1.00 36.08 ? 46 ILE A O 1 ATOM 56 C CB . ILE A 1 18 ? 219.127 -0.139 96.132 1.00 34.51 ? 46 ILE A CB 1 ATOM 57 C CG1 . ILE A 1 18 ? 218.829 -1.655 96.177 1.00 34.07 ? 46 ILE A CG1 1 ATOM 58 C CG2 . ILE A 1 18 ? 220.590 0.146 96.431 1.00 34.43 ? 46 ILE A CG2 1 ATOM 59 C CD1 . ILE A 1 18 ? 219.431 -2.445 95.025 1.00 32.59 ? 46 ILE A CD1 1 ATOM 60 N N . PHE A 1 19 ? 218.768 2.574 98.423 1.00 38.37 ? 47 PHE A N 1 ATOM 61 C CA . PHE A 1 19 ? 218.966 3.998 98.677 1.00 39.32 ? 47 PHE A CA 1 ATOM 62 C C . PHE A 1 19 ? 220.441 4.279 98.908 1.00 39.08 ? 47 PHE A C 1 ATOM 63 O O . PHE A 1 19 ? 221.076 3.616 99.730 1.00 39.62 ? 47 PHE A O 1 ATOM 64 C CB . PHE A 1 19 ? 218.155 4.455 99.892 1.00 45.54 ? 47 PHE A CB 1 ATOM 65 C CG . PHE A 1 19 ? 218.191 5.940 100.126 1.00 50.62 ? 47 PHE A CG 1 ATOM 66 C CD1 . PHE A 1 19 ? 217.517 6.801 99.279 1.00 56.42 ? 47 PHE A CD1 1 ATOM 67 C CD2 . PHE A 1 19 ? 218.880 6.470 101.207 1.00 64.99 ? 47 PHE A CD2 1 ATOM 68 C CE1 . PHE A 1 19 ? 217.541 8.170 99.493 1.00 64.39 ? 47 PHE A CE1 1 ATOM 69 C CE2 . PHE A 1 19 ? 218.906 7.834 101.432 1.00 75.37 ? 47 PHE A CE2 1 ATOM 70 C CZ . PHE A 1 19 ? 218.236 8.686 100.575 1.00 73.52 ? 47 PHE A CZ 1 ATOM 71 N N . SER A 1 20 ? 220.980 5.243 98.168 1.00 40.33 ? 48 SER A N 1 ATOM 72 C CA . SER A 1 20 ? 222.329 5.745 98.391 1.00 49.10 ? 48 SER A CA 1 ATOM 73 C C . SER A 1 20 ? 222.279 6.968 99.300 1.00 60.46 ? 48 SER A C 1 ATOM 74 O O . SER A 1 20 ? 221.597 7.946 98.983 1.00 58.55 ? 48 SER A O 1 ATOM 75 C CB . SER A 1 20 ? 222.985 6.123 97.068 1.00 40.65 ? 48 SER A CB 1 ATOM 76 O OG . SER A 1 20 ? 224.096 6.970 97.314 1.00 36.76 ? 48 SER A OG 1 ATOM 77 N N . HIS A 1 21 ? 223.007 6.918 100.422 1.00 46.30 ? 49 HIS A N 1 ATOM 78 C CA . HIS A 1 21 ? 223.066 8.073 101.317 1.00 53.80 ? 49 HIS A CA 1 ATOM 79 C C . HIS A 1 21 ? 223.951 9.169 100.736 1.00 47.73 ? 49 HIS A C 1 ATOM 80 O O . HIS A 1 21 ? 223.591 10.355 100.779 1.00 47.88 ? 49 HIS A O 1 ATOM 81 C CB . HIS A 1 21 ? 223.573 7.662 102.701 1.00 62.57 ? 49 HIS A CB 1 ATOM 82 C CG . HIS A 1 21 ? 222.494 7.190 103.626 1.00 77.45 ? 49 HIS A CG 1 ATOM 83 N ND1 . HIS A 1 21 ? 221.461 8.003 104.040 1.00 83.45 ? 49 HIS A ND1 1 ATOM 84 C CD2 . HIS A 1 21 ? 222.285 5.988 104.216 1.00 81.48 ? 49 HIS A CD2 1 ATOM 85 C CE1 . HIS A 1 21 ? 220.658 7.322 104.838 1.00 93.45 ? 49 HIS A CE1 1 ATOM 86 N NE2 . HIS A 1 21 ? 221.137 6.097 104.963 1.00 91.56 ? 49 HIS A NE2 1 ATOM 87 N N . GLY A 1 22 ? 225.099 8.787 100.177 1.00 51.09 ? 50 GLY A N 1 ATOM 88 C CA . GLY A 1 22 ? 225.978 9.717 99.506 1.00 48.62 ? 50 GLY A CA 1 ATOM 89 C C . GLY A 1 22 ? 225.319 10.486 98.379 1.00 52.15 ? 50 GLY A C 1 ATOM 90 O O . GLY A 1 22 ? 225.254 11.720 98.434 1.00 63.58 ? 50 GLY A O 1 ATOM 91 N N . LEU A 1 23 ? 224.798 9.792 97.370 1.00 59.78 ? 51 LEU A N 1 ATOM 92 C CA . LEU A 1 23 ? 224.198 10.486 96.236 1.00 54.00 ? 51 LEU A CA 1 ATOM 93 C C . LEU A 1 23 ? 222.742 10.843 96.476 1.00 55.61 ? 51 LEU A C 1 ATOM 94 O O . LEU A 1 23 ? 222.115 11.430 95.593 1.00 56.02 ? 51 LEU A O 1 ATOM 95 C CB . LEU A 1 23 ? 224.310 9.648 94.956 1.00 47.68 ? 51 LEU A CB 1 ATOM 96 C CG . LEU A 1 23 ? 225.618 8.925 94.637 1.00 43.38 ? 51 LEU A CG 1 ATOM 97 C CD1 . LEU A 1 23 ? 225.298 7.580 93.946 1.00 33.73 ? 51 LEU A CD1 1 ATOM 98 C CD2 . LEU A 1 23 ? 226.567 9.792 93.780 1.00 32.71 ? 51 LEU A CD2 1 ATOM 99 N N . GLN A 1 24 ? 222.192 10.491 97.636 1.00 46.12 ? 52 GLN A N 1 ATOM 100 C CA . GLN A 1 24 ? 220.825 10.834 98.030 1.00 54.42 ? 52 GLN A CA 1 ATOM 101 C C . GLN A 1 24 ? 219.811 10.444 96.945 1.00 50.08 ? 52 GLN A C 1 ATOM 102 O O . GLN A 1 24 ? 219.240 11.293 96.263 1.00 57.59 ? 52 GLN A O 1 ATOM 103 C CB . GLN A 1 24 ? 220.754 12.331 98.371 1.00 72.50 ? 52 GLN A CB 1 ATOM 104 C CG . GLN A 1 24 ? 219.523 12.767 99.167 1.00 84.21 ? 52 GLN A CG 1 ATOM 105 C CD . GLN A 1 24 ? 219.541 12.295 100.610 1.00 90.52 ? 52 GLN A CD 1 ATOM 106 O OE1 . GLN A 1 24 ? 220.592 11.962 101.158 1.00 89.41 ? 52 GLN A OE1 1 ATOM 107 N NE2 . GLN A 1 24 ? 218.369 12.259 101.229 1.00 100.67 ? 52 GLN A NE2 1 ATOM 108 N N . GLY A 1 25 ? 219.609 9.135 96.785 1.00 60.10 ? 53 GLY A N 1 ATOM 109 C CA . GLY A 1 25 ? 218.671 8.656 95.778 1.00 50.77 ? 53 GLY A CA 1 ATOM 110 C C . GLY A 1 25 ? 218.617 7.138 95.698 1.00 42.36 ? 53 GLY A C 1 ATOM 111 O O . GLY A 1 25 ? 219.350 6.421 96.394 1.00 38.11 ? 53 GLY A O 1 ATOM 112 N N . CYS A 1 26 ? 217.734 6.653 94.820 1.00 38.94 ? 54 CYS A N 1 ATOM 113 C CA . CYS A 1 26 ? 217.482 5.224 94.657 1.00 36.36 ? 54 CYS A CA 1 ATOM 114 C C . CYS A 1 26 ? 217.960 4.732 93.299 1.00 34.59 ? 54 CYS A C 1 ATOM 115 O O . CYS A 1 26 ? 217.846 5.446 92.290 1.00 34.20 ? 54 CYS A O 1 ATOM 116 C CB . CYS A 1 26 ? 215.996 4.883 94.828 1.00 37.69 ? 54 CYS A CB 1 ATOM 117 S SG . CYS A 1 26 ? 215.387 5.189 96.494 1.00 51.93 ? 54 CYS A SG 1 ATOM 118 N N . LEU A 1 27 ? 218.505 3.511 93.294 1.00 33.73 ? 55 LEU A N 1 ATOM 119 C CA . LEU A 1 27 ? 218.932 2.865 92.061 1.00 32.31 ? 55 LEU A CA 1 ATOM 120 C C . LEU A 1 27 ? 217.717 2.495 91.236 1.00 32.28 ? 55 LEU A C 1 ATOM 121 O O . LEU A 1 27 ? 216.735 1.971 91.762 1.00 32.98 ? 55 LEU A O 1 ATOM 122 C CB . LEU A 1 27 ? 219.755 1.610 92.367 1.00 31.70 ? 55 LEU A CB 1 ATOM 123 C CG . LEU A 1 27 ? 220.600 1.027 91.230 1.00 30.44 ? 55 LEU A CG 1 ATOM 124 C CD1 . LEU A 1 27 ? 221.782 1.968 90.901 1.00 30.05 ? 55 LEU A CD1 1 ATOM 125 C CD2 . LEU A 1 27 ? 221.092 -0.380 91.541 1.00 30.14 ? 55 LEU A CD2 1 ATOM 126 N N . GLU A 1 28 ? 217.779 2.758 89.935 1.00 31.61 ? 56 GLU A N 1 ATOM 127 C CA . GLU A 1 28 ? 216.668 2.422 89.064 1.00 31.76 ? 56 GLU A CA 1 ATOM 128 C C . GLU A 1 28 ? 217.169 1.942 87.709 1.00 30.77 ? 56 GLU A C 1 ATOM 129 O O . GLU A 1 28 ? 218.283 2.258 87.264 1.00 30.08 ? 56 GLU A O 1 ATOM 130 C CB . GLU A 1 28 ? 215.705 3.601 88.882 1.00 32.84 ? 56 GLU A CB 1 ATOM 131 C CG . GLU A 1 28 ? 216.249 4.766 88.067 1.00 36.68 ? 56 GLU A CG 1 ATOM 132 C CD . GLU A 1 28 ? 215.140 5.642 87.477 1.00 57.79 ? 56 GLU A CD 1 ATOM 133 O OE1 . GLU A 1 28 ? 213.953 5.278 87.595 1.00 65.01 ? 56 GLU A OE1 1 ATOM 134 O OE2 . GLU A 1 28 ? 215.459 6.692 86.883 1.00 67.45 ? 56 GLU A OE2 1 ATOM 135 N N . ALA A 1 29 ? 216.303 1.172 87.056 1.00 31.06 ? 57 ALA A N 1 ATOM 136 C CA . ALA A 1 29 ? 216.560 0.601 85.740 1.00 30.49 ? 57 ALA A CA 1 ATOM 137 C C . ALA A 1 29 ? 215.423 1.025 84.822 1.00 31.30 ? 57 ALA A C 1 ATOM 138 O O . ALA A 1 29 ? 214.255 0.778 85.121 1.00 45.49 ? 57 ALA A O 1 ATOM 139 C CB . ALA A 1 29 ? 216.672 -0.925 85.816 1.00 30.02 ? 57 ALA A CB 1 ATOM 140 N N . GLN A 1 30 ? 215.767 1.724 83.755 1.00 31.09 ? 58 GLN A N 1 ATOM 141 C CA . GLN A 1 30 ? 214.831 2.373 82.844 1.00 49.31 ? 58 GLN A CA 1 ATOM 142 C C . GLN A 1 30 ? 215.607 2.753 81.592 1.00 57.49 ? 58 GLN A C 1 ATOM 143 O O . GLN A 1 30 ? 216.820 2.971 81.653 1.00 60.20 ? 58 GLN A O 1 ATOM 144 C CB . GLN A 1 30 ? 214.213 3.620 83.495 1.00 66.81 ? 58 GLN A CB 1 ATOM 145 C CG . GLN A 1 30 ? 213.195 4.357 82.652 1.00 86.90 ? 58 GLN A CG 1 ATOM 146 C CD . GLN A 1 30 ? 211.891 3.606 82.552 1.00 98.73 ? 58 GLN A CD 1 ATOM 147 O OE1 . GLN A 1 30 ? 211.229 3.362 83.560 1.00 99.16 ? 58 GLN A OE1 1 ATOM 148 N NE2 . GLN A 1 30 ? 211.517 3.222 81.333 1.00 105.81 ? 58 GLN A NE2 1 ATOM 149 N N . GLY A 1 31 ? 214.894 2.875 80.470 1.00 64.58 ? 59 GLY A N 1 ATOM 150 C CA . GLY A 1 31 ? 215.444 3.448 79.249 1.00 62.70 ? 59 GLY A CA 1 ATOM 151 C C . GLY A 1 31 ? 216.767 2.857 78.796 1.00 57.68 ? 59 GLY A C 1 ATOM 152 O O . GLY A 1 31 ? 217.545 3.515 78.092 1.00 53.14 ? 59 GLY A O 1 ATOM 153 N N . GLY A 1 32 ? 217.040 1.621 79.216 1.00 60.22 ? 60 GLY A N 1 ATOM 154 C CA . GLY A 1 32 ? 218.305 0.981 78.938 1.00 49.54 ? 60 GLY A CA 1 ATOM 155 C C . GLY A 1 32 ? 219.458 1.480 79.770 1.00 45.75 ? 60 GLY A C 1 ATOM 156 O O . GLY A 1 32 ? 220.613 1.255 79.396 1.00 62.36 ? 60 GLY A O 1 ATOM 157 N N . GLN A 1 33 ? 219.193 2.156 80.886 1.00 37.68 ? 61 GLN A N 1 ATOM 158 C CA . GLN A 1 33 ? 220.239 2.635 81.778 1.00 34.56 ? 61 GLN A CA 1 ATOM 159 C C . GLN A 1 33 ? 220.012 2.143 83.204 1.00 29.43 ? 61 GLN A C 1 ATOM 160 O O . GLN A 1 33 ? 218.888 1.848 83.612 1.00 41.73 ? 61 GLN A O 1 ATOM 161 C CB . GLN A 1 33 ? 220.303 4.178 81.802 1.00 48.94 ? 61 GLN A CB 1 ATOM 162 C CG . GLN A 1 33 ? 221.273 4.805 80.804 1.00 57.14 ? 61 GLN A CG 1 ATOM 163 C CD . GLN A 1 33 ? 220.560 5.457 79.635 1.00 57.41 ? 61 GLN A CD 1 ATOM 164 O OE1 . GLN A 1 33 ? 219.509 6.065 79.804 1.00 60.96 ? 61 GLN A OE1 1 ATOM 165 N NE2 . GLN A 1 33 ? 221.125 5.321 78.442 1.00 57.29 ? 61 GLN A NE2 1 ATOM 166 N N . VAL A 1 34 ? 221.091 2.113 83.970 1.00 28.50 ? 62 VAL A N 1 ATOM 167 C CA . VAL A 1 34 ? 221.053 1.984 85.420 1.00 28.84 ? 62 VAL A CA 1 ATOM 168 C C . VAL A 1 34 ? 221.578 3.285 86.019 1.00 32.75 ? 62 VAL A C 1 ATOM 169 O O . VAL A 1 34 ? 222.645 3.769 85.626 1.00 28.25 ? 62 VAL A O 1 ATOM 170 C CB . VAL A 1 34 ? 221.888 0.777 85.880 1.00 29.02 ? 62 VAL A CB 1 ATOM 171 C CG1 . VAL A 1 34 ? 221.942 0.685 87.387 1.00 28.58 ? 62 VAL A CG1 1 ATOM 172 C CG2 . VAL A 1 34 ? 221.310 -0.514 85.266 1.00 28.87 ? 62 VAL A CG2 1 ATOM 173 N N . ARG A 1 35 ? 220.814 3.881 86.929 1.00 34.19 ? 63 ARG A N 1 ATOM 174 C CA . ARG A 1 35 ? 221.156 5.210 87.416 1.00 29.36 ? 63 ARG A CA 1 ATOM 175 C C . ARG A 1 35 ? 220.469 5.455 88.751 1.00 31.65 ? 63 ARG A C 1 ATOM 176 O O . ARG A 1 35 ? 219.505 4.772 89.102 1.00 33.11 ? 63 ARG A O 1 ATOM 177 C CB . ARG A 1 35 ? 220.756 6.283 86.398 1.00 33.91 ? 63 ARG A CB 1 ATOM 178 C CG . ARG A 1 35 ? 219.360 6.076 85.884 1.00 46.30 ? 63 ARG A CG 1 ATOM 179 C CD . ARG A 1 35 ? 218.788 7.348 85.320 1.00 57.09 ? 63 ARG A CD 1 ATOM 180 N NE . ARG A 1 35 ? 217.430 7.129 84.836 1.00 69.85 ? 63 ARG A NE 1 ATOM 181 C CZ . ARG A 1 35 ? 217.103 7.069 83.551 1.00 71.72 ? 63 ARG A CZ 1 ATOM 182 N NH1 . ARG A 1 35 ? 218.039 7.232 82.627 1.00 62.51 ? 63 ARG A NH1 1 ATOM 183 N NH2 . ARG A 1 35 ? 215.843 6.853 83.192 1.00 80.19 ? 63 ARG A NH2 1 ATOM 184 N N . VAL A 1 36 ? 220.983 6.447 89.487 1.00 30.78 ? 64 VAL A N 1 ATOM 185 C CA . VAL A 1 36 ? 220.390 6.893 90.750 1.00 32.08 ? 64 VAL A CA 1 ATOM 186 C C . VAL A 1 36 ? 219.430 8.040 90.465 1.00 35.70 ? 64 VAL A C 1 ATOM 187 O O . VAL A 1 36 ? 219.827 9.067 89.899 1.00 44.24 ? 64 VAL A O 1 ATOM 188 C CB . VAL A 1 36 ? 221.469 7.325 91.758 1.00 32.36 ? 64 VAL A CB 1 ATOM 189 C CG1 . VAL A 1 36 ? 220.831 7.780 93.020 1.00 37.26 ? 64 VAL A CG1 1 ATOM 190 C CG2 . VAL A 1 36 ? 222.414 6.175 92.066 1.00 33.61 ? 64 VAL A CG2 1 ATOM 191 N N . THR A 1 37 ? 218.173 7.877 90.863 1.00 34.19 ? 65 THR A N 1 ATOM 192 C CA . THR A 1 37 ? 217.160 8.905 90.684 1.00 35.39 ? 65 THR A CA 1 ATOM 193 C C . THR A 1 37 ? 216.852 9.567 92.014 1.00 39.07 ? 65 THR A C 1 ATOM 194 O O . THR A 1 37 ? 216.568 8.871 92.995 1.00 48.55 ? 65 THR A O 1 ATOM 195 C CB . THR A 1 37 ? 215.868 8.342 90.063 1.00 35.80 ? 65 THR A CB 1 ATOM 196 O OG1 . THR A 1 37 ? 214.879 9.379 89.973 1.00 50.70 ? 65 THR A OG1 1 ATOM 197 C CG2 . THR A 1 37 ? 215.308 7.140 90.856 1.00 36.14 ? 65 THR A CG2 1 ATOM 198 N N . PRO A 1 38 ? 216.935 10.901 92.094 1.00 39.33 ? 66 PRO A N 1 ATOM 199 C CA . PRO A 1 38 ? 216.674 11.575 93.374 1.00 42.66 ? 66 PRO A CA 1 ATOM 200 C C . PRO A 1 38 ? 215.242 11.457 93.840 1.00 53.82 ? 66 PRO A C 1 ATOM 201 O O . PRO A 1 38 ? 214.992 11.677 95.031 1.00 71.03 ? 66 PRO A O 1 ATOM 202 C CB . PRO A 1 38 ? 217.055 13.040 93.097 1.00 45.67 ? 66 PRO A CB 1 ATOM 203 C CG . PRO A 1 38 ? 216.987 13.188 91.612 1.00 44.26 ? 66 PRO A CG 1 ATOM 204 C CD . PRO A 1 38 ? 217.422 11.840 91.061 1.00 36.92 ? 66 PRO A CD 1 ATOM 205 N N . ALA A 1 39 ? 214.295 11.088 92.975 1.00 42.32 ? 67 ALA A N 1 ATOM 206 C CA . ALA A 1 39 ? 212.907 10.956 93.407 1.00 48.39 ? 67 ALA A CA 1 ATOM 207 C C . ALA A 1 39 ? 212.627 9.480 93.682 1.00 52.99 ? 67 ALA A C 1 ATOM 208 O O . ALA A 1 39 ? 212.170 8.736 92.810 1.00 46.44 ? 67 ALA A O 1 ATOM 209 C CB . ALA A 1 39 ? 211.970 11.504 92.340 1.00 51.30 ? 67 ALA A CB 1 ATOM 210 N N . CYS A 1 40 ? 212.740 9.103 94.942 1.00 53.63 ? 68 CYS A N 1 ATOM 211 C CA . CYS A 1 40 ? 212.533 7.729 95.320 1.00 48.21 ? 68 CYS A CA 1 ATOM 212 C C . CYS A 1 40 ? 211.038 7.480 95.426 1.00 63.68 ? 68 CYS A C 1 ATOM 213 O O . CYS A 1 40 ? 210.290 8.324 95.927 1.00 73.44 ? 68 CYS A O 1 ATOM 214 C CB . CYS A 1 40 ? 213.243 7.434 96.642 1.00 48.04 ? 68 CYS A CB 1 ATOM 215 S SG . CYS A 1 40 ? 215.065 7.233 96.550 1.00 67.53 ? 68 CYS A SG 1 ATOM 216 N N . ASN A 1 41 ? 210.594 6.349 94.885 1.00 57.85 ? 69 ASN A N 1 ATOM 217 C CA . ASN A 1 41 ? 209.185 5.984 94.918 1.00 61.58 ? 69 ASN A CA 1 ATOM 218 C C . ASN A 1 41 ? 209.094 4.489 95.165 1.00 54.59 ? 69 ASN A C 1 ATOM 219 O O . ASN A 1 41 ? 209.567 3.703 94.337 1.00 47.91 ? 69 ASN A O 1 ATOM 220 C CB . ASN A 1 41 ? 208.506 6.369 93.601 1.00 63.48 ? 69 ASN A CB 1 ATOM 221 C CG . ASN A 1 41 ? 207.009 6.512 93.733 1.00 79.06 ? 69 ASN A CG 1 ATOM 222 O OD1 . ASN A 1 41 ? 206.363 5.769 94.472 1.00 82.60 ? 69 ASN A OD1 1 ATOM 223 N ND2 . ASN A 1 41 ? 206.446 7.474 93.008 1.00 84.31 ? 69 ASN A ND2 1 ATOM 224 N N . THR A 1 42 ? 208.448 4.089 96.265 1.00 59.90 ? 70 THR A N 1 ATOM 225 C CA . THR A 1 42 ? 208.394 2.663 96.586 1.00 58.16 ? 70 THR A CA 1 ATOM 226 C C . THR A 1 42 ? 207.505 1.890 95.629 1.00 55.23 ? 70 THR A C 1 ATOM 227 O O . THR A 1 42 ? 207.567 0.659 95.617 1.00 57.01 ? 70 THR A O 1 ATOM 228 C CB . THR A 1 42 ? 207.889 2.426 98.012 1.00 66.12 ? 70 THR A CB 1 ATOM 229 O OG1 . THR A 1 42 ? 206.500 2.772 98.094 1.00 79.15 ? 70 THR A OG1 1 ATOM 230 C CG2 . THR A 1 42 ? 208.690 3.239 99.013 1.00 66.47 ? 70 THR A CG2 1 ATOM 231 N N . SER A 1 43 ? 206.656 2.576 94.866 1.00 62.62 ? 71 SER A N 1 ATOM 232 C CA . SER A 1 43 ? 205.675 1.947 93.992 1.00 60.84 ? 71 SER A CA 1 ATOM 233 C C . SER A 1 43 ? 206.099 1.875 92.528 1.00 51.36 ? 71 SER A C 1 ATOM 234 O O . SER A 1 43 ? 205.312 1.418 91.698 1.00 48.70 ? 71 SER A O 1 ATOM 235 C CB . SER A 1 43 ? 204.340 2.687 94.101 1.00 83.05 ? 71 SER A CB 1 ATOM 236 O OG . SER A 1 43 ? 204.515 4.075 93.878 1.00 93.48 ? 71 SER A OG 1 ATOM 237 N N . LEU A 1 44 ? 207.291 2.332 92.173 1.00 60.54 ? 72 LEU A N 1 ATOM 238 C CA . LEU A 1 44 ? 207.694 2.324 90.772 1.00 55.35 ? 72 LEU A CA 1 ATOM 239 C C . LEU A 1 44 ? 208.495 1.061 90.469 1.00 43.91 ? 72 LEU A C 1 ATOM 240 O O . LEU A 1 44 ? 209.536 0.839 91.102 1.00 37.59 ? 72 LEU A O 1 ATOM 241 C CB . LEU A 1 44 ? 208.506 3.563 90.449 1.00 54.71 ? 72 LEU A CB 1 ATOM 242 C CG . LEU A 1 44 ? 207.660 4.828 90.279 1.00 69.23 ? 72 LEU A CG 1 ATOM 243 C CD1 . LEU A 1 44 ? 208.522 6.052 90.063 1.00 59.96 ? 72 LEU A CD1 1 ATOM 244 C CD2 . LEU A 1 44 ? 206.694 4.655 89.121 1.00 76.62 ? 72 LEU A CD2 1 ATOM 245 N N . PRO A 1 45 ? 208.059 0.213 89.531 1.00 54.57 ? 73 PRO A N 1 ATOM 246 C CA . PRO A 1 45 ? 208.790 -1.049 89.294 1.00 41.98 ? 73 PRO A CA 1 ATOM 247 C C . PRO A 1 45 ? 210.253 -0.853 88.914 1.00 35.04 ? 73 PRO A C 1 ATOM 248 O O . PRO A 1 45 ? 211.094 -1.693 89.258 1.00 34.00 ? 73 PRO A O 1 ATOM 249 C CB . PRO A 1 45 ? 207.978 -1.707 88.169 1.00 39.14 ? 73 PRO A CB 1 ATOM 250 C CG . PRO A 1 45 ? 206.579 -1.156 88.358 1.00 51.62 ? 73 PRO A CG 1 ATOM 251 C CD . PRO A 1 45 ? 206.799 0.278 88.768 1.00 56.58 ? 73 PRO A CD 1 ATOM 252 N N . ALA A 1 46 ? 210.592 0.258 88.261 1.00 35.18 ? 74 ALA A N 1 ATOM 253 C CA . ALA A 1 46 ? 211.973 0.515 87.872 1.00 34.01 ? 74 ALA A CA 1 ATOM 254 C C . ALA A 1 46 ? 212.900 0.648 89.069 1.00 33.69 ? 74 ALA A C 1 ATOM 255 O O . ALA A 1 46 ? 214.117 0.517 88.913 1.00 32.66 ? 74 ALA A O 1 ATOM 256 C CB . ALA A 1 46 ? 212.034 1.793 87.030 1.00 34.40 ? 74 ALA A CB 1 ATOM 257 N N . GLN A 1 47 ? 212.360 0.983 90.238 1.00 34.77 ? 75 GLN A N 1 ATOM 258 C CA . GLN A 1 47 ? 213.133 1.158 91.462 1.00 34.88 ? 75 GLN A CA 1 ATOM 259 C C . GLN A 1 47 ? 213.074 -0.045 92.393 1.00 34.83 ? 75 GLN A C 1 ATOM 260 O O . GLN A 1 47 ? 213.657 0.017 93.479 1.00 35.18 ? 75 GLN A O 1 ATOM 261 C CB . GLN A 1 47 ? 212.663 2.413 92.217 1.00 36.43 ? 75 GLN A CB 1 ATOM 262 C CG . GLN A 1 47 ? 212.806 3.668 91.387 1.00 36.53 ? 75 GLN A CG 1 ATOM 263 C CD . GLN A 1 47 ? 212.431 4.985 92.106 1.00 41.59 ? 75 GLN A CD 1 ATOM 264 O OE1 . GLN A 1 47 ? 212.484 5.103 93.335 1.00 41.75 ? 75 GLN A OE1 1 ATOM 265 N NE2 . GLN A 1 47 ? 212.089 5.989 91.309 1.00 40.34 ? 75 GLN A NE2 1 ATOM 266 N N . ARG A 1 48 ? 212.390 -1.124 92.007 1.00 34.52 ? 76 ARG A N 1 ATOM 267 C CA . ARG A 1 48 ? 212.094 -2.234 92.906 1.00 34.66 ? 76 ARG A CA 1 ATOM 268 C C . ARG A 1 48 ? 212.960 -3.447 92.580 1.00 33.29 ? 76 ARG A C 1 ATOM 269 O O . ARG A 1 48 ? 212.991 -3.914 91.438 1.00 32.46 ? 76 ARG A O 1 ATOM 270 C CB . ARG A 1 48 ? 210.607 -2.579 92.844 1.00 35.50 ? 76 ARG A CB 1 ATOM 271 C CG . ARG A 1 48 ? 209.747 -1.491 93.500 1.00 40.03 ? 76 ARG A CG 1 ATOM 272 C CD . ARG A 1 48 ? 208.272 -1.641 93.190 1.00 50.10 ? 76 ARG A CD 1 ATOM 273 N NE . ARG A 1 48 ? 207.702 -2.825 93.827 1.00 51.69 ? 76 ARG A NE 1 ATOM 274 C CZ . ARG A 1 48 ? 207.430 -2.908 95.125 1.00 51.10 ? 76 ARG A CZ 1 ATOM 275 N NH1 . ARG A 1 48 ? 207.687 -1.875 95.924 1.00 55.39 ? 76 ARG A NH1 1 ATOM 276 N NH2 . ARG A 1 48 ? 206.901 -4.016 95.625 1.00 43.00 ? 76 ARG A NH2 1 ATOM 277 N N . TRP A 1 49 ? 213.667 -3.944 93.583 1.00 33.26 ? 77 TRP A N 1 ATOM 278 C CA . TRP A 1 49 ? 214.669 -4.973 93.390 1.00 32.20 ? 77 TRP A CA 1 ATOM 279 C C . TRP A 1 49 ? 214.380 -6.180 94.275 1.00 32.40 ? 77 TRP A C 1 ATOM 280 O O . TRP A 1 49 ? 213.679 -6.089 95.286 1.00 33.45 ? 77 TRP A O 1 ATOM 281 C CB . TRP A 1 49 ? 216.079 -4.437 93.684 1.00 32.00 ? 77 TRP A CB 1 ATOM 282 C CG . TRP A 1 49 ? 216.450 -3.236 92.858 1.00 31.76 ? 77 TRP A CG 1 ATOM 283 C CD1 . TRP A 1 49 ? 216.154 -1.923 93.133 1.00 32.57 ? 77 TRP A CD1 1 ATOM 284 C CD2 . TRP A 1 49 ? 217.204 -3.225 91.632 1.00 30.75 ? 77 TRP A CD2 1 ATOM 285 N NE1 . TRP A 1 49 ? 216.671 -1.105 92.154 1.00 32.01 ? 77 TRP A NE1 1 ATOM 286 C CE2 . TRP A 1 49 ? 217.321 -1.873 91.223 1.00 30.91 ? 77 TRP A CE2 1 ATOM 287 C CE3 . TRP A 1 49 ? 217.791 -4.221 90.845 1.00 29.87 ? 77 TRP A CE3 1 ATOM 288 C CZ2 . TRP A 1 49 ? 217.989 -1.497 90.060 1.00 30.18 ? 77 TRP A CZ2 1 ATOM 289 C CZ3 . TRP A 1 49 ? 218.465 -3.841 89.678 1.00 29.26 ? 77 TRP A CZ3 1 ATOM 290 C CH2 . TRP A 1 49 ? 218.555 -2.484 89.302 1.00 29.39 ? 77 TRP A CH2 1 ATOM 291 N N . LYS A 1 50 ? 214.947 -7.318 93.882 1.00 31.50 ? 78 LYS A N 1 ATOM 292 C CA . LYS A 1 50 ? 214.819 -8.548 94.646 1.00 31.58 ? 78 LYS A CA 1 ATOM 293 C C . LYS A 1 50 ? 216.094 -9.359 94.494 1.00 30.91 ? 78 LYS A C 1 ATOM 294 O O . LYS A 1 50 ? 216.641 -9.435 93.391 1.00 30.13 ? 78 LYS A O 1 ATOM 295 C CB . LYS A 1 50 ? 213.615 -9.365 94.166 1.00 31.37 ? 78 LYS A CB 1 ATOM 296 C CG . LYS A 1 50 ? 213.448 -10.642 94.925 1.00 31.41 ? 78 LYS A CG 1 ATOM 297 C CD . LYS A 1 50 ? 212.102 -11.318 94.661 1.00 31.41 ? 78 LYS A CD 1 ATOM 298 C CE . LYS A 1 50 ? 211.986 -12.583 95.521 1.00 31.46 ? 78 LYS A CE 1 ATOM 299 N NZ . LYS A 1 50 ? 210.720 -13.290 95.206 1.00 31.38 ? 78 LYS A NZ 1 ATOM 300 N N . TRP A 1 51 ? 216.561 -9.958 95.586 1.00 31.39 ? 79 TRP A N 1 ATOM 301 C CA . TRP A 1 51 ? 217.598 -10.979 95.501 1.00 30.97 ? 79 TRP A CA 1 ATOM 302 C C . TRP A 1 51 ? 216.990 -12.289 94.987 1.00 30.37 ? 79 TRP A C 1 ATOM 303 O O . TRP A 1 51 ? 215.976 -12.754 95.509 1.00 30.66 ? 79 TRP A O 1 ATOM 304 C CB . TRP A 1 51 ? 218.256 -11.220 96.865 1.00 31.93 ? 79 TRP A CB 1 ATOM 305 C CG . TRP A 1 51 ? 219.211 -10.145 97.305 1.00 32.55 ? 79 TRP A CG 1 ATOM 306 C CD1 . TRP A 1 51 ? 219.053 -9.283 98.363 1.00 33.74 ? 79 TRP A CD1 1 ATOM 307 C CD2 . TRP A 1 51 ? 220.462 -9.805 96.699 1.00 32.15 ? 79 TRP A CD2 1 ATOM 308 N NE1 . TRP A 1 51 ? 220.123 -8.454 98.452 1.00 34.04 ? 79 TRP A NE1 1 ATOM 309 C CE2 . TRP A 1 51 ? 221.005 -8.741 97.441 1.00 33.03 ? 79 TRP A CE2 1 ATOM 310 C CE3 . TRP A 1 51 ? 221.170 -10.292 95.598 1.00 31.26 ? 79 TRP A CE3 1 ATOM 311 C CZ2 . TRP A 1 51 ? 222.233 -8.147 97.116 1.00 32.93 ? 79 TRP A CZ2 1 ATOM 312 C CZ3 . TRP A 1 51 ? 222.384 -9.715 95.278 1.00 31.24 ? 79 TRP A CZ3 1 ATOM 313 C CH2 . TRP A 1 51 ? 222.911 -8.650 96.046 1.00 32.01 ? 79 TRP A CH2 1 ATOM 314 N N . VAL A 1 52 ? 217.614 -12.885 93.974 1.00 29.66 ? 80 VAL A N 1 ATOM 315 C CA . VAL A 1 52 ? 217.129 -14.132 93.380 1.00 29.17 ? 80 VAL A CA 1 ATOM 316 C C . VAL A 1 52 ? 218.262 -15.153 93.394 1.00 29.14 ? 80 VAL A C 1 ATOM 317 O O . VAL A 1 52 ? 219.250 -15.002 94.118 1.00 29.65 ? 80 VAL A O 1 ATOM 318 C CB . VAL A 1 52 ? 216.551 -13.926 91.962 1.00 28.64 ? 80 VAL A CB 1 ATOM 319 C CG1 . VAL A 1 52 ? 215.271 -13.110 92.051 1.00 28.91 ? 80 VAL A CG1 1 ATOM 320 C CG2 . VAL A 1 52 ? 217.558 -13.226 91.023 1.00 28.40 ? 80 VAL A CG2 1 ATOM 321 N N . SER A 1 53 ? 218.095 -16.243 92.670 1.00 35.28 ? 81 SER A N 1 ATOM 322 C CA . SER A 1 53 ? 219.054 -17.319 92.842 1.00 34.55 ? 81 SER A CA 1 ATOM 323 C C . SER A 1 53 ? 220.365 -16.995 92.143 1.00 31.96 ? 81 SER A C 1 ATOM 324 O O . SER A 1 53 ? 220.426 -16.164 91.232 1.00 36.28 ? 81 SER A O 1 ATOM 325 C CB . SER A 1 53 ? 218.485 -18.633 92.323 1.00 28.68 ? 81 SER A CB 1 ATOM 326 O OG . SER A 1 53 ? 218.295 -18.557 90.924 1.00 29.49 ? 81 SER A OG 1 ATOM 327 N N . ARG A 1 54 ? 221.427 -17.655 92.614 1.00 31.31 ? 82 ARG A N 1 ATOM 328 C CA . ARG A 1 54 ? 222.764 -17.560 92.031 1.00 31.34 ? 82 ARG A CA 1 ATOM 329 C C . ARG A 1 54 ? 223.322 -16.140 92.152 1.00 31.85 ? 82 ARG A C 1 ATOM 330 O O . ARG A 1 54 ? 224.047 -15.656 91.280 1.00 32.71 ? 82 ARG A O 1 ATOM 331 C CB . ARG A 1 54 ? 222.777 -18.057 90.583 1.00 30.53 ? 82 ARG A CB 1 ATOM 332 C CG . ARG A 1 54 ? 222.354 -19.554 90.463 1.00 32.47 ? 82 ARG A CG 1 ATOM 333 C CD . ARG A 1 54 ? 222.838 -20.198 89.154 1.00 39.41 ? 82 ARG A CD 1 ATOM 334 N NE . ARG A 1 54 ? 222.216 -19.644 87.952 1.00 55.57 ? 82 ARG A NE 1 ATOM 335 C CZ . ARG A 1 54 ? 221.177 -20.187 87.317 1.00 69.27 ? 82 ARG A CZ 1 ATOM 336 N NH1 . ARG A 1 54 ? 220.621 -21.306 87.772 1.00 69.89 ? 82 ARG A NH1 1 ATOM 337 N NH2 . ARG A 1 54 ? 220.688 -19.610 86.221 1.00 70.61 ? 82 ARG A NH2 1 ATOM 338 N N . ASN A 1 55 ? 222.996 -15.496 93.273 1.00 30.27 ? 83 ASN A N 1 ATOM 339 C CA . ASN A 1 55 ? 223.562 -14.217 93.668 1.00 30.58 ? 83 ASN A CA 1 ATOM 340 C C . ASN A 1 55 ? 223.168 -13.105 92.704 1.00 29.85 ? 83 ASN A C 1 ATOM 341 O O . ASN A 1 55 ? 223.941 -12.184 92.454 1.00 30.90 ? 83 ASN A O 1 ATOM 342 C CB . ASN A 1 55 ? 225.083 -14.303 93.781 1.00 33.42 ? 83 ASN A CB 1 ATOM 343 C CG . ASN A 1 55 ? 225.534 -15.216 94.905 1.00 56.37 ? 83 ASN A CG 1 ATOM 344 O OD1 . ASN A 1 55 ? 226.444 -16.029 94.728 1.00 71.11 ? 83 ASN A OD1 1 ATOM 345 N ND2 . ASN A 1 55 ? 224.894 -15.095 96.065 1.00 56.19 ? 83 ASN A ND2 1 ATOM 346 N N . ARG A 1 56 ? 221.977 -13.191 92.140 1.00 34.45 ? 84 ARG A N 1 ATOM 347 C CA . ARG A 1 56 ? 221.588 -12.259 91.105 1.00 28.78 ? 84 ARG A CA 1 ATOM 348 C C . ARG A 1 56 ? 220.619 -11.244 91.693 1.00 29.40 ? 84 ARG A C 1 ATOM 349 O O . ARG A 1 56 ? 219.912 -11.523 92.666 1.00 30.49 ? 84 ARG A O 1 ATOM 350 C CB . ARG A 1 56 ? 220.994 -12.996 89.904 1.00 28.37 ? 84 ARG A CB 1 ATOM 351 C CG . ARG A 1 56 ? 222.078 -13.664 89.071 1.00 28.47 ? 84 ARG A CG 1 ATOM 352 C CD . ARG A 1 56 ? 221.539 -14.515 87.945 1.00 28.35 ? 84 ARG A CD 1 ATOM 353 N NE . ARG A 1 56 ? 220.781 -15.635 88.498 1.00 36.74 ? 84 ARG A NE 1 ATOM 354 C CZ . ARG A 1 56 ? 219.938 -16.397 87.809 1.00 33.94 ? 84 ARG A CZ 1 ATOM 355 N NH1 . ARG A 1 56 ? 219.734 -16.171 86.524 1.00 28.27 ? 84 ARG A NH1 1 ATOM 356 N NH2 . ARG A 1 56 ? 219.284 -17.382 88.413 1.00 42.67 ? 84 ARG A NH2 1 ATOM 357 N N . LEU A 1 57 ? 220.652 -10.036 91.148 1.00 28.71 ? 85 LEU A N 1 ATOM 358 C CA . LEU A 1 57 ? 219.813 -8.954 91.628 1.00 28.99 ? 85 LEU A CA 1 ATOM 359 C C . LEU A 1 57 ? 218.798 -8.615 90.536 1.00 28.68 ? 85 LEU A C 1 ATOM 360 O O . LEU A 1 57 ? 219.168 -8.096 89.476 1.00 28.37 ? 85 LEU A O 1 ATOM 361 C CB . LEU A 1 57 ? 220.681 -7.759 92.001 1.00 29.26 ? 85 LEU A CB 1 ATOM 362 C CG . LEU A 1 57 ? 219.963 -6.644 92.726 1.00 29.85 ? 85 LEU A CG 1 ATOM 363 C CD1 . LEU A 1 57 ? 219.286 -7.172 93.968 1.00 30.60 ? 85 LEU A CD1 1 ATOM 364 C CD2 . LEU A 1 57 ? 220.964 -5.545 93.055 1.00 30.13 ? 85 LEU A CD2 1 ATOM 365 N N . PHE A 1 58 ? 217.526 -8.901 90.804 1.00 28.92 ? 86 PHE A N 1 ATOM 366 C CA . PHE A 1 58 ? 216.451 -8.786 89.828 1.00 28.86 ? 86 PHE A CA 1 ATOM 367 C C . PHE A 1 58 ? 215.723 -7.450 89.951 1.00 29.40 ? 86 PHE A C 1 ATOM 368 O O . PHE A 1 58 ? 215.386 -7.016 91.056 1.00 30.02 ? 86 PHE A O 1 ATOM 369 C CB . PHE A 1 58 ? 215.457 -9.943 90.017 1.00 28.92 ? 86 PHE A CB 1 ATOM 370 C CG . PHE A 1 58 ? 214.374 -10.000 88.981 1.00 29.01 ? 86 PHE A CG 1 ATOM 371 C CD1 . PHE A 1 58 ? 214.585 -10.646 87.768 1.00 28.69 ? 86 PHE A CD1 1 ATOM 372 C CD2 . PHE A 1 58 ? 213.136 -9.433 89.222 1.00 29.64 ? 86 PHE A CD2 1 ATOM 373 C CE1 . PHE A 1 58 ? 213.571 -10.702 86.809 1.00 29.01 ? 86 PHE A CE1 1 ATOM 374 C CE2 . PHE A 1 58 ? 212.137 -9.493 88.287 1.00 29.94 ? 86 PHE A CE2 1 ATOM 375 C CZ . PHE A 1 58 ? 212.354 -10.125 87.081 1.00 29.62 ? 86 PHE A CZ 1 ATOM 376 N N . ASN A 1 59 ? 215.451 -6.813 88.812 1.00 29.37 ? 87 ASN A N 1 ATOM 377 C CA . ASN A 1 59 ? 214.723 -5.541 88.778 1.00 30.02 ? 87 ASN A CA 1 ATOM 378 C C . ASN A 1 59 ? 213.300 -5.777 88.278 1.00 30.55 ? 87 ASN A C 1 ATOM 379 O O . ASN A 1 59 ? 213.093 -6.375 87.219 1.00 30.34 ? 87 ASN A O 1 ATOM 380 C CB . ASN A 1 59 ? 215.459 -4.510 87.914 1.00 29.79 ? 87 ASN A CB 1 ATOM 381 C CG . ASN A 1 59 ? 214.748 -3.139 87.863 1.00 30.56 ? 87 ASN A CG 1 ATOM 382 O OD1 . ASN A 1 59 ? 214.019 -2.830 86.901 1.00 30.94 ? 87 ASN A OD1 1 ATOM 383 N ND2 . ASN A 1 59 ? 214.970 -2.317 88.883 1.00 30.97 ? 87 ASN A ND2 1 ATOM 384 N N . LEU A 1 60 ? 212.318 -5.317 89.041 1.00 31.43 ? 88 LEU A N 1 ATOM 385 C CA . LEU A 1 60 ? 210.936 -5.687 88.728 1.00 32.09 ? 88 LEU A CA 1 ATOM 386 C C . LEU A 1 60 ? 210.420 -4.968 87.480 1.00 32.81 ? 88 LEU A C 1 ATOM 387 O O . LEU A 1 60 ? 209.680 -5.555 86.683 1.00 34.70 ? 88 LEU A O 1 ATOM 388 C CB . LEU A 1 60 ? 210.032 -5.423 89.939 1.00 33.83 ? 88 LEU A CB 1 ATOM 389 C CG . LEU A 1 60 ? 209.936 -6.676 90.837 1.00 32.89 ? 88 LEU A CG 1 ATOM 390 C CD1 . LEU A 1 60 ? 211.249 -6.943 91.555 1.00 32.16 ? 88 LEU A CD1 1 ATOM 391 C CD2 . LEU A 1 60 ? 208.809 -6.600 91.826 1.00 36.60 ? 88 LEU A CD2 1 ATOM 392 N N . GLY A 1 61 ? 210.824 -3.717 87.260 1.00 32.82 ? 89 GLY A N 1 ATOM 393 C CA . GLY A 1 61 ? 210.283 -2.989 86.129 1.00 34.45 ? 89 GLY A CA 1 ATOM 394 C C . GLY A 1 61 ? 210.903 -3.383 84.817 1.00 32.88 ? 89 GLY A C 1 ATOM 395 O O . GLY A 1 61 ? 210.244 -3.347 83.776 1.00 35.64 ? 89 GLY A O 1 ATOM 396 N N . THR A 1 62 ? 212.173 -3.723 84.835 1.00 32.53 ? 90 THR A N 1 ATOM 397 C CA . THR A 1 62 ? 212.860 -4.220 83.654 1.00 31.45 ? 90 THR A CA 1 ATOM 398 C C . THR A 1 62 ? 212.731 -5.740 83.458 1.00 31.04 ? 90 THR A C 1 ATOM 399 O O . THR A 1 62 ? 212.894 -6.224 82.335 1.00 31.14 ? 90 THR A O 1 ATOM 400 C CB . THR A 1 62 ? 214.319 -3.776 83.782 1.00 30.52 ? 90 THR A CB 1 ATOM 401 O OG1 . THR A 1 62 ? 214.852 -3.430 82.501 1.00 37.67 ? 90 THR A OG1 1 ATOM 402 C CG2 . THR A 1 62 ? 215.156 -4.814 84.470 1.00 29.74 ? 90 THR A CG2 1 ATOM 403 N N . MET A 1 63 ? 212.427 -6.496 84.516 1.00 30.81 ? 91 MET A N 1 ATOM 404 C CA . MET A 1 63 ? 212.459 -7.966 84.494 1.00 30.40 ? 91 MET A CA 1 ATOM 405 C C . MET A 1 63 ? 213.816 -8.530 84.062 1.00 29.71 ? 91 MET A C 1 ATOM 406 O O . MET A 1 63 ? 213.911 -9.582 83.414 1.00 29.67 ? 91 MET A O 1 ATOM 407 C CB . MET A 1 63 ? 211.322 -8.542 83.645 1.00 31.09 ? 91 MET A CB 1 ATOM 408 C CG . MET A 1 63 ? 210.039 -8.592 84.455 1.00 31.65 ? 91 MET A CG 1 ATOM 409 S SD . MET A 1 63 ? 208.556 -8.349 83.459 1.00 53.56 ? 91 MET A SD 1 ATOM 410 C CE . MET A 1 63 ? 208.444 -9.938 82.599 1.00 32.88 ? 91 MET A CE 1 ATOM 411 N N . GLN A 1 64 ? 214.887 -7.882 84.490 1.00 29.28 ? 92 GLN A N 1 ATOM 412 C CA . GLN A 1 64 ? 216.211 -8.342 84.140 1.00 28.80 ? 92 GLN A CA 1 ATOM 413 C C . GLN A 1 64 ? 217.097 -8.250 85.378 1.00 28.37 ? 92 GLN A C 1 ATOM 414 O O . GLN A 1 64 ? 216.667 -7.795 86.451 1.00 28.51 ? 92 GLN A O 1 ATOM 415 C CB . GLN A 1 64 ? 216.749 -7.539 82.947 1.00 28.97 ? 92 GLN A CB 1 ATOM 416 C CG . GLN A 1 64 ? 216.057 -7.799 81.603 1.00 29.65 ? 92 GLN A CG 1 ATOM 417 C CD . GLN A 1 64 ? 216.678 -6.968 80.463 1.00 29.95 ? 92 GLN A CD 1 ATOM 418 O OE1 . GLN A 1 64 ? 217.130 -5.849 80.674 1.00 29.73 ? 92 GLN A OE1 1 ATOM 419 N NE2 . GLN A 1 64 ? 216.729 -7.536 79.270 1.00 30.55 ? 92 GLN A NE2 1 ATOM 420 N N . CYS A 1 65 ? 218.341 -8.695 85.235 1.00 28.07 ? 93 CYS A N 1 ATOM 421 C CA . CYS A 1 65 ? 219.275 -8.763 86.343 1.00 27.88 ? 93 CYS A CA 1 ATOM 422 C C . CYS A 1 65 ? 220.417 -7.776 86.148 1.00 27.76 ? 93 CYS A C 1 ATOM 423 O O . CYS A 1 65 ? 220.862 -7.535 85.022 1.00 27.74 ? 93 CYS A O 1 ATOM 424 C CB . CYS A 1 65 ? 219.826 -10.184 86.479 1.00 27.83 ? 93 CYS A CB 1 ATOM 425 S SG . CYS A 1 65 ? 218.591 -11.416 87.012 1.00 27.89 ? 93 CYS A SG 1 ATOM 426 N N . LEU A 1 66 ? 220.878 -7.205 87.248 1.00 27.80 ? 94 LEU A N 1 ATOM 427 C CA . LEU A 1 66 ? 222.010 -6.295 87.208 1.00 27.71 ? 94 LEU A CA 1 ATOM 428 C C . LEU A 1 66 ? 223.289 -7.059 86.872 1.00 27.68 ? 94 LEU A C 1 ATOM 429 O O . LEU A 1 66 ? 223.528 -8.165 87.386 1.00 27.86 ? 94 LEU A O 1 ATOM 430 C CB . LEU A 1 66 ? 222.146 -5.571 88.550 1.00 27.99 ? 94 LEU A CB 1 ATOM 431 C CG . LEU A 1 66 ? 223.257 -4.539 88.746 1.00 28.00 ? 94 LEU A CG 1 ATOM 432 C CD1 . LEU A 1 66 ? 222.906 -3.172 88.098 1.00 27.86 ? 94 LEU A CD1 1 ATOM 433 C CD2 . LEU A 1 66 ? 223.593 -4.371 90.237 1.00 28.57 ? 94 LEU A CD2 1 ATOM 434 N N . GLY A 1 67 ? 224.098 -6.479 85.981 1.00 27.58 ? 95 GLY A N 1 ATOM 435 C CA . GLY A 1 67 ? 225.370 -7.069 85.624 1.00 27.77 ? 95 GLY A CA 1 ATOM 436 C C . GLY A 1 67 ? 226.380 -6.139 84.981 1.00 27.72 ? 95 GLY A C 1 ATOM 437 O O . GLY A 1 67 ? 226.111 -4.973 84.674 1.00 27.46 ? 95 GLY A O 1 ATOM 438 N N . THR A 1 68 ? 227.578 -6.686 84.814 1.00 28.08 ? 96 THR A N 1 ATOM 439 C CA . THR A 1 68 ? 228.625 -6.131 83.980 1.00 28.21 ? 96 THR A CA 1 ATOM 440 C C . THR A 1 68 ? 229.040 -7.173 82.947 1.00 28.80 ? 96 THR A C 1 ATOM 441 O O . THR A 1 68 ? 228.816 -8.376 83.116 1.00 29.15 ? 96 THR A O 1 ATOM 442 C CB . THR A 1 68 ? 229.846 -5.674 84.796 1.00 28.40 ? 96 THR A CB 1 ATOM 443 O OG1 . THR A 1 68 ? 230.642 -6.805 85.177 1.00 29.11 ? 96 THR A OG1 1 ATOM 444 C CG2 . THR A 1 68 ? 229.424 -4.856 86.036 1.00 28.14 ? 96 THR A CG2 1 ATOM 445 N N . GLY A 1 69 ? 229.639 -6.696 81.856 1.00 29.02 ? 97 GLY A N 1 ATOM 446 C CA . GLY A 1 69 ? 229.971 -7.540 80.736 1.00 29.82 ? 97 GLY A CA 1 ATOM 447 C C . GLY A 1 69 ? 231.437 -7.943 80.694 1.00 30.62 ? 97 GLY A C 1 ATOM 448 O O . GLY A 1 69 ? 232.257 -7.556 81.519 1.00 30.55 ? 97 GLY A O 1 ATOM 449 N N . TRP A 1 70 ? 231.750 -8.727 79.669 1.00 31.59 ? 98 TRP A N 1 ATOM 450 C CA . TRP A 1 70 ? 233.114 -9.089 79.312 1.00 32.68 ? 98 TRP A CA 1 ATOM 451 C C . TRP A 1 70 ? 233.401 -8.610 77.892 1.00 33.27 ? 98 TRP A C 1 ATOM 452 O O . TRP A 1 70 ? 233.551 -9.426 76.977 1.00 34.47 ? 98 TRP A O 1 ATOM 453 C CB . TRP A 1 70 ? 233.328 -10.601 79.411 1.00 33.74 ? 98 TRP A CB 1 ATOM 454 C CG . TRP A 1 70 ? 233.044 -11.221 80.736 1.00 33.38 ? 98 TRP A CG 1 ATOM 455 C CD1 . TRP A 1 70 ? 231.924 -11.921 81.099 1.00 32.95 ? 98 TRP A CD1 1 ATOM 456 C CD2 . TRP A 1 70 ? 233.912 -11.241 81.870 1.00 33.60 ? 98 TRP A CD2 1 ATOM 457 N NE1 . TRP A 1 70 ? 232.044 -12.374 82.399 1.00 32.87 ? 98 TRP A NE1 1 ATOM 458 C CE2 . TRP A 1 70 ? 233.256 -11.965 82.890 1.00 33.33 ? 98 TRP A CE2 1 ATOM 459 C CE3 . TRP A 1 70 ? 235.190 -10.734 82.118 1.00 34.14 ? 98 TRP A CE3 1 ATOM 460 C CZ2 . TRP A 1 70 ? 233.823 -12.162 84.140 1.00 33.65 ? 98 TRP A CZ2 1 ATOM 461 C CZ3 . TRP A 1 70 ? 235.759 -10.939 83.367 1.00 34.49 ? 98 TRP A CZ3 1 ATOM 462 C CH2 . TRP A 1 70 ? 235.074 -11.643 84.357 1.00 34.29 ? 98 TRP A CH2 1 ATOM 463 N N . PRO A 1 71 ? 233.488 -7.306 77.667 1.00 32.60 ? 99 PRO A N 1 ATOM 464 C CA . PRO A 1 71 ? 233.754 -6.812 76.317 1.00 33.23 ? 99 PRO A CA 1 ATOM 465 C C . PRO A 1 71 ? 235.159 -7.134 75.841 1.00 34.53 ? 99 PRO A C 1 ATOM 466 O O . PRO A 1 71 ? 236.090 -7.301 76.627 1.00 34.71 ? 99 PRO A O 1 ATOM 467 C CB . PRO A 1 71 ? 233.582 -5.299 76.475 1.00 32.07 ? 99 PRO A CB 1 ATOM 468 C CG . PRO A 1 71 ? 233.968 -5.052 77.865 1.00 31.32 ? 99 PRO A CG 1 ATOM 469 C CD . PRO A 1 71 ? 233.305 -6.179 78.595 1.00 31.34 ? 99 PRO A CD 1 ATOM 470 N N . GLY A 1 72 ? 235.312 -7.139 74.510 1.00 35.62 ? 100 GLY A N 1 ATOM 471 C CA . GLY A 1 72 ? 236.636 -7.216 73.910 1.00 36.98 ? 100 GLY A CA 1 ATOM 472 C C . GLY A 1 72 ? 237.559 -6.080 74.293 1.00 36.33 ? 100 GLY A C 1 ATOM 473 O O . GLY A 1 72 ? 238.784 -6.251 74.277 1.00 37.33 ? 100 GLY A O 1 ATOM 474 N N . THR A 1 73 ? 237.004 -4.899 74.625 1.00 36.65 ? 101 THR A N 1 ATOM 475 C CA . THR A 1 73 ? 237.845 -3.804 75.098 1.00 34.79 ? 101 THR A CA 1 ATOM 476 C C . THR A 1 73 ? 238.075 -4.043 76.584 1.00 33.63 ? 101 THR A C 1 ATOM 477 O O . THR A 1 73 ? 237.144 -3.884 77.380 1.00 32.43 ? 101 THR A O 1 ATOM 478 C CB . THR A 1 73 ? 237.178 -2.431 74.876 1.00 32.83 ? 101 THR A CB 1 ATOM 479 O OG1 . THR A 1 73 ? 235.831 -2.438 75.383 1.00 31.87 ? 101 THR A OG1 1 ATOM 480 C CG2 . THR A 1 73 ? 237.138 -2.021 73.410 1.00 33.71 ? 101 THR A CG2 1 ATOM 481 N N . ASN A 1 74 ? 239.313 -4.336 77.009 1.00 34.36 ? 102 ASN A N 1 ATOM 482 C CA . ASN A 1 74 ? 239.478 -4.696 78.423 1.00 34.13 ? 102 ASN A CA 1 ATOM 483 C C . ASN A 1 74 ? 239.625 -3.397 79.220 1.00 32.95 ? 102 ASN A C 1 ATOM 484 O O . ASN A 1 74 ? 240.732 -2.894 79.432 1.00 33.31 ? 102 ASN A O 1 ATOM 485 C CB . ASN A 1 74 ? 240.684 -5.590 78.647 1.00 36.35 ? 102 ASN A CB 1 ATOM 486 C CG . ASN A 1 74 ? 240.761 -6.105 80.087 1.00 39.00 ? 102 ASN A CG 1 ATOM 487 O OD1 . ASN A 1 74 ? 239.856 -5.821 80.896 1.00 37.05 ? 102 ASN A OD1 1 ATOM 488 N ND2 . ASN A 1 74 ? 241.817 -6.897 80.412 1.00 39.63 ? 102 ASN A ND2 1 ATOM 489 N N . THR A 1 75 ? 238.523 -2.953 79.805 1.00 32.30 ? 103 THR A N 1 ATOM 490 C CA . THR A 1 75 ? 238.448 -1.600 80.324 1.00 30.65 ? 103 THR A CA 1 ATOM 491 C C . THR A 1 75 ? 237.477 -1.605 81.493 1.00 29.93 ? 103 THR A C 1 ATOM 492 O O . THR A 1 75 ? 236.912 -2.643 81.834 1.00 30.20 ? 103 THR A O 1 ATOM 493 C CB . THR A 1 75 ? 238.037 -0.615 79.235 1.00 30.02 ? 103 THR A CB 1 ATOM 494 O OG1 . THR A 1 75 ? 238.335 0.707 79.696 1.00 29.23 ? 103 THR A OG1 1 ATOM 495 C CG2 . THR A 1 75 ? 236.553 -0.706 78.951 1.00 29.43 ? 103 THR A CG2 1 ATOM 496 N N . THR A 1 76 ? 237.293 -0.448 82.126 1.00 30.21 ? 104 THR A N 1 ATOM 497 C CA . THR A 1 76 ? 236.471 -0.412 83.329 1.00 29.36 ? 104 THR A CA 1 ATOM 498 C C . THR A 1 76 ? 235.040 -0.803 82.978 1.00 28.32 ? 104 THR A C 1 ATOM 499 O O . THR A 1 76 ? 234.570 -0.536 81.878 1.00 28.09 ? 104 THR A O 1 ATOM 500 C CB . THR A 1 76 ? 236.516 0.973 83.972 1.00 28.29 ? 104 THR A CB 1 ATOM 501 O OG1 . THR A 1 76 ? 235.927 1.907 83.088 1.00 27.39 ? 104 THR A OG1 1 ATOM 502 C CG2 . THR A 1 76 ? 237.926 1.406 84.173 1.00 29.43 ? 104 THR A CG2 1 ATOM 503 N N . ALA A 1 77 ? 234.386 -1.513 83.885 1.00 28.39 ? 105 ALA A N 1 ATOM 504 C CA . ALA A 1 77 ? 233.003 -1.962 83.738 1.00 28.05 ? 105 ALA A CA 1 ATOM 505 C C . ALA A 1 77 ? 231.990 -0.884 84.152 1.00 27.38 ? 105 ALA A C 1 ATOM 506 O O . ALA A 1 77 ? 232.259 -0.011 84.981 1.00 27.28 ? 105 ALA A O 1 ATOM 507 C CB . ALA A 1 77 ? 232.754 -3.231 84.571 1.00 28.52 ? 105 ALA A CB 1 ATOM 508 N N . SER A 1 78 ? 230.787 -0.998 83.604 1.00 30.27 ? 106 SER A N 1 ATOM 509 C CA . SER A 1 78 ? 229.655 -0.204 84.065 1.00 26.77 ? 106 SER A CA 1 ATOM 510 C C . SER A 1 78 ? 228.442 -1.100 84.270 1.00 26.88 ? 106 SER A C 1 ATOM 511 O O . SER A 1 78 ? 228.366 -2.219 83.760 1.00 30.93 ? 106 SER A O 1 ATOM 512 C CB . SER A 1 78 ? 229.317 0.921 83.082 1.00 26.44 ? 106 SER A CB 1 ATOM 513 O OG . SER A 1 78 ? 229.274 0.394 81.780 1.00 33.64 ? 106 SER A OG 1 ATOM 514 N N . LEU A 1 79 ? 227.498 -0.581 85.038 1.00 26.82 ? 107 LEU A N 1 ATOM 515 C CA . LEU A 1 79 ? 226.276 -1.293 85.341 1.00 26.96 ? 107 LEU A CA 1 ATOM 516 C C . LEU A 1 79 ? 225.404 -1.382 84.105 1.00 26.93 ? 107 LEU A C 1 ATOM 517 O O . LEU A 1 79 ? 225.322 -0.437 83.323 1.00 26.85 ? 107 LEU A O 1 ATOM 518 C CB . LEU A 1 79 ? 225.525 -0.583 86.459 1.00 27.15 ? 107 LEU A CB 1 ATOM 519 C CG . LEU A 1 79 ? 226.281 -0.544 87.779 1.00 27.48 ? 107 LEU A CG 1 ATOM 520 C CD1 . LEU A 1 79 ? 225.508 0.285 88.775 1.00 27.91 ? 107 LEU A CD1 1 ATOM 521 C CD2 . LEU A 1 79 ? 226.536 -1.978 88.310 1.00 27.76 ? 107 LEU A CD2 1 ATOM 522 N N . GLY A 1 80 ? 224.765 -2.535 83.921 1.00 27.10 ? 108 GLY A N 1 ATOM 523 C CA . GLY A 1 80 ? 223.769 -2.717 82.889 1.00 27.30 ? 108 GLY A CA 1 ATOM 524 C C . GLY A 1 80 ? 222.730 -3.715 83.355 1.00 27.47 ? 108 GLY A C 1 ATOM 525 O O . GLY A 1 80 ? 222.874 -4.380 84.392 1.00 27.42 ? 108 GLY A O 1 ATOM 526 N N . MET A 1 81 ? 221.666 -3.807 82.572 1.00 27.78 ? 109 MET A N 1 ATOM 527 C CA . MET A 1 81 ? 220.575 -4.735 82.816 1.00 28.00 ? 109 MET A CA 1 ATOM 528 C C . MET A 1 81 ? 220.572 -5.822 81.745 1.00 28.31 ? 109 MET A C 1 ATOM 529 O O . MET A 1 81 ? 220.728 -5.529 80.559 1.00 28.68 ? 109 MET A O 1 ATOM 530 C CB . MET A 1 81 ? 219.243 -3.997 82.846 1.00 28.38 ? 109 MET A CB 1 ATOM 531 C CG . MET A 1 81 ? 219.102 -3.012 83.991 1.00 28.35 ? 109 MET A CG 1 ATOM 532 S SD . MET A 1 81 ? 219.448 -3.632 85.676 1.00 28.15 ? 109 MET A SD 1 ATOM 533 C CE . MET A 1 81 ? 218.390 -5.095 85.739 1.00 28.32 ? 109 MET A CE 1 ATOM 534 N N . TYR A 1 82 ? 220.408 -7.085 82.163 1.00 28.30 ? 110 TYR A N 1 ATOM 535 C CA . TYR A 1 82 ? 220.530 -8.218 81.251 1.00 28.70 ? 110 TYR A CA 1 ATOM 536 C C . TYR A 1 82 ? 219.483 -9.283 81.543 1.00 28.82 ? 110 TYR A C 1 ATOM 537 O O . TYR A 1 82 ? 219.067 -9.494 82.687 1.00 28.49 ? 110 TYR A O 1 ATOM 538 C CB . TYR A 1 82 ? 221.914 -8.880 81.338 1.00 28.66 ? 110 TYR A CB 1 ATOM 539 C CG . TYR A 1 82 ? 223.041 -7.958 81.057 1.00 28.59 ? 110 TYR A CG 1 ATOM 540 C CD1 . TYR A 1 82 ? 223.441 -7.694 79.735 1.00 29.10 ? 110 TYR A CD1 1 ATOM 541 C CD2 . TYR A 1 82 ? 223.682 -7.285 82.088 1.00 28.12 ? 110 TYR A CD2 1 ATOM 542 C CE1 . TYR A 1 82 ? 224.472 -6.808 79.465 1.00 29.03 ? 110 TYR A CE1 1 ATOM 543 C CE2 . TYR A 1 82 ? 224.717 -6.410 81.828 1.00 28.05 ? 110 TYR A CE2 1 ATOM 544 C CZ . TYR A 1 82 ? 225.111 -6.176 80.515 1.00 28.43 ? 110 TYR A CZ 1 ATOM 545 O OH . TYR A 1 82 ? 226.146 -5.303 80.259 1.00 28.35 ? 110 TYR A OH 1 ATOM 546 N N . GLU A 1 83 ? 219.101 -9.975 80.480 1.00 29.42 ? 111 GLU A N 1 ATOM 547 C CA . GLU A 1 83 ? 218.339 -11.205 80.592 1.00 29.60 ? 111 GLU A CA 1 ATOM 548 C C . GLU A 1 83 ? 219.021 -12.122 81.586 1.00 29.15 ? 111 GLU A C 1 ATOM 549 O O . GLU A 1 83 ? 220.229 -12.358 81.498 1.00 29.20 ? 111 GLU A O 1 ATOM 550 C CB . GLU A 1 83 ? 218.238 -11.891 79.220 1.00 31.36 ? 111 GLU A CB 1 ATOM 551 C CG . GLU A 1 83 ? 217.297 -11.188 78.227 1.00 41.25 ? 111 GLU A CG 1 ATOM 552 C CD . GLU A 1 83 ? 215.844 -11.168 78.702 1.00 47.54 ? 111 GLU A CD 1 ATOM 553 O OE1 . GLU A 1 83 ? 215.255 -12.271 78.853 1.00 56.04 ? 111 GLU A OE1 1 ATOM 554 O OE2 . GLU A 1 83 ? 215.309 -10.052 78.932 1.00 36.65 ? 111 GLU A OE2 1 ATOM 555 N N . CYS A 1 84 ? 218.242 -12.626 82.535 1.00 30.11 ? 112 CYS A N 1 ATOM 556 C CA . CYS A 1 84 ? 218.818 -13.280 83.694 1.00 32.09 ? 112 CYS A CA 1 ATOM 557 C C . CYS A 1 84 ? 219.381 -14.672 83.398 1.00 33.52 ? 112 CYS A C 1 ATOM 558 O O . CYS A 1 84 ? 220.108 -15.217 84.240 1.00 29.50 ? 112 CYS A O 1 ATOM 559 C CB . CYS A 1 84 ? 217.763 -13.348 84.801 1.00 30.51 ? 112 CYS A CB 1 ATOM 560 S SG . CYS A 1 84 ? 217.327 -11.697 85.436 1.00 41.06 ? 112 CYS A SG 1 ATOM 561 N N . ASP A 1 85 ? 219.082 -15.260 82.244 1.00 29.32 ? 113 ASP A N 1 ATOM 562 C CA . ASP A 1 85 ? 219.701 -16.528 81.889 1.00 33.26 ? 113 ASP A CA 1 ATOM 563 C C . ASP A 1 85 ? 221.063 -16.376 81.212 1.00 35.98 ? 113 ASP A C 1 ATOM 564 O O . ASP A 1 85 ? 221.646 -17.388 80.815 1.00 41.63 ? 113 ASP A O 1 ATOM 565 C CB . ASP A 1 85 ? 218.777 -17.339 80.971 1.00 36.38 ? 113 ASP A CB 1 ATOM 566 C CG . ASP A 1 85 ? 218.191 -16.507 79.865 1.00 47.81 ? 113 ASP A CG 1 ATOM 567 O OD1 . ASP A 1 85 ? 218.674 -15.365 79.659 1.00 51.27 ? 113 ASP A OD1 1 ATOM 568 O OD2 . ASP A 1 85 ? 217.233 -16.987 79.218 1.00 57.45 ? 113 ASP A OD2 1 ATOM 569 N N . ARG A 1 86 ? 221.608 -15.168 81.069 1.00 31.19 ? 114 ARG A N 1 ATOM 570 C CA . ARG A 1 86 ? 222.867 -15.052 80.337 1.00 35.08 ? 114 ARG A CA 1 ATOM 571 C C . ARG A 1 86 ? 223.972 -15.073 81.378 1.00 38.18 ? 114 ARG A C 1 ATOM 572 O O . ARG A 1 86 ? 224.504 -14.034 81.762 1.00 36.26 ? 114 ARG A O 1 ATOM 573 C CB . ARG A 1 86 ? 222.911 -13.759 79.530 1.00 31.77 ? 114 ARG A CB 1 ATOM 574 C CG . ARG A 1 86 ? 221.821 -13.636 78.493 1.00 35.62 ? 114 ARG A CG 1 ATOM 575 C CD . ARG A 1 86 ? 221.962 -12.349 77.709 1.00 34.80 ? 114 ARG A CD 1 ATOM 576 N NE . ARG A 1 86 ? 223.302 -12.183 77.161 1.00 43.11 ? 114 ARG A NE 1 ATOM 577 C CZ . ARG A 1 86 ? 223.730 -11.063 76.567 1.00 51.15 ? 114 ARG A CZ 1 ATOM 578 N NH1 . ARG A 1 86 ? 222.919 -10.013 76.436 1.00 34.83 ? 114 ARG A NH1 1 ATOM 579 N NH2 . ARG A 1 86 ? 224.969 -10.994 76.091 1.00 57.91 ? 114 ARG A NH2 1 ATOM 580 N N . GLU A 1 87 ? 224.451 -16.277 81.679 1.00 34.53 ? 115 GLU A N 1 ATOM 581 C CA . GLU A 1 87 ? 225.342 -16.475 82.812 1.00 41.67 ? 115 GLU A CA 1 ATOM 582 C C . GLU A 1 87 ? 226.796 -16.487 82.384 1.00 35.59 ? 115 GLU A C 1 ATOM 583 O O . GLU A 1 87 ? 227.686 -16.553 83.240 1.00 34.94 ? 115 GLU A O 1 ATOM 584 C CB . GLU A 1 87 ? 224.985 -17.762 83.566 1.00 55.63 ? 115 GLU A CB 1 ATOM 585 C CG . GLU A 1 87 ? 224.892 -17.566 85.081 1.00 65.06 ? 115 GLU A CG 1 ATOM 586 C CD . GLU A 1 87 ? 223.508 -17.889 85.680 1.00 63.32 ? 115 GLU A CD 1 ATOM 587 O OE1 . GLU A 1 87 ? 222.708 -18.622 85.040 1.00 63.81 ? 115 GLU A OE1 1 ATOM 588 O OE2 . GLU A 1 87 ? 223.237 -17.420 86.812 1.00 54.09 ? 115 GLU A OE2 1 ATOM 589 N N . ALA A 1 88 ? 227.044 -16.392 81.080 1.00 32.63 ? 116 ALA A N 1 ATOM 590 C CA . ALA A 1 88 ? 228.351 -15.969 80.596 1.00 33.63 ? 116 ALA A CA 1 ATOM 591 C C . ALA A 1 88 ? 228.756 -14.589 81.129 1.00 36.01 ? 116 ALA A C 1 ATOM 592 O O . ALA A 1 88 ? 229.956 -14.327 81.282 1.00 33.08 ? 116 ALA A O 1 ATOM 593 C CB . ALA A 1 88 ? 228.352 -15.942 79.069 1.00 40.16 ? 116 ALA A CB 1 ATOM 594 N N . LEU A 1 89 ? 227.789 -13.680 81.358 1.00 41.13 ? 117 LEU A N 1 ATOM 595 C CA . LEU A 1 89 ? 228.104 -12.331 81.829 1.00 31.67 ? 117 LEU A CA 1 ATOM 596 C C . LEU A 1 89 ? 228.307 -12.341 83.334 1.00 30.51 ? 117 LEU A C 1 ATOM 597 O O . LEU A 1 89 ? 228.079 -13.345 84.007 1.00 30.68 ? 117 LEU A O 1 ATOM 598 C CB . LEU A 1 89 ? 226.992 -11.343 81.485 1.00 30.13 ? 117 LEU A CB 1 ATOM 599 C CG . LEU A 1 89 ? 226.619 -11.389 80.006 1.00 37.68 ? 117 LEU A CG 1 ATOM 600 C CD1 . LEU A 1 89 ? 225.529 -10.376 79.731 1.00 32.66 ? 117 LEU A CD1 1 ATOM 601 C CD2 . LEU A 1 89 ? 227.854 -11.173 79.119 1.00 36.16 ? 117 LEU A CD2 1 ATOM 602 N N . ASN A 1 90 ? 228.718 -11.204 83.883 1.00 30.10 ? 118 ASN A N 1 ATOM 603 C CA . ASN A 1 90 ? 228.835 -11.146 85.330 1.00 29.98 ? 118 ASN A CA 1 ATOM 604 C C . ASN A 1 90 ? 227.503 -10.613 85.845 1.00 29.21 ? 118 ASN A C 1 ATOM 605 O O . ASN A 1 90 ? 227.265 -9.400 85.865 1.00 28.76 ? 118 ASN A O 1 ATOM 606 C CB . ASN A 1 90 ? 230.008 -10.270 85.748 1.00 30.19 ? 118 ASN A CB 1 ATOM 607 C CG . ASN A 1 90 ? 229.992 -9.987 87.219 1.00 30.19 ? 118 ASN A CG 1 ATOM 608 O OD1 . ASN A 1 90 ? 229.706 -10.880 88.016 1.00 30.51 ? 118 ASN A OD1 1 ATOM 609 N ND2 . ASN A 1 90 ? 230.199 -8.734 87.593 1.00 29.91 ? 118 ASN A ND2 1 ATOM 610 N N . LEU A 1 91 ? 226.637 -11.530 86.265 1.00 29.17 ? 119 LEU A N 1 ATOM 611 C CA . LEU A 1 91 ? 225.361 -11.221 86.895 1.00 28.68 ? 119 LEU A CA 1 ATOM 612 C C . LEU A 1 91 ? 225.394 -11.466 88.385 1.00 28.91 ? 119 LEU A C 1 ATOM 613 O O . LEU A 1 91 ? 224.347 -11.475 89.016 1.00 28.72 ? 119 LEU A O 1 ATOM 614 C CB . LEU A 1 91 ? 224.217 -12.003 86.268 1.00 28.53 ? 119 LEU A CB 1 ATOM 615 C CG . LEU A 1 91 ? 224.180 -11.941 84.750 1.00 28.64 ? 119 LEU A CG 1 ATOM 616 C CD1 . LEU A 1 91 ? 222.950 -12.704 84.225 1.00 28.64 ? 119 LEU A CD1 1 ATOM 617 C CD2 . LEU A 1 91 ? 224.204 -10.478 84.278 1.00 28.37 ? 119 LEU A CD2 1 ATOM 618 N N . ARG A 1 92 ? 226.557 -11.741 88.940 1.00 29.50 ? 120 ARG A N 1 ATOM 619 C CA . ARG A 1 92 ? 226.697 -12.223 90.308 1.00 30.05 ? 120 ARG A CA 1 ATOM 620 C C . ARG A 1 92 ? 227.152 -11.087 91.220 1.00 30.34 ? 120 ARG A C 1 ATOM 621 O O . ARG A 1 92 ? 228.222 -10.512 91.008 1.00 30.59 ? 120 ARG A O 1 ATOM 622 C CB . ARG A 1 92 ? 227.695 -13.389 90.359 1.00 30.85 ? 120 ARG A CB 1 ATOM 623 C CG . ARG A 1 92 ? 227.900 -13.952 91.784 1.00 38.07 ? 120 ARG A CG 1 ATOM 624 C CD . ARG A 1 92 ? 228.685 -15.296 91.829 1.00 53.68 ? 120 ARG A CD 1 ATOM 625 N NE . ARG A 1 92 ? 228.097 -16.321 90.966 1.00 58.15 ? 120 ARG A NE 1 ATOM 626 C CZ . ARG A 1 92 ? 227.265 -17.268 91.389 1.00 54.63 ? 120 ARG A CZ 1 ATOM 627 N NH1 . ARG A 1 92 ? 226.921 -17.323 92.676 1.00 54.00 ? 120 ARG A NH1 1 ATOM 628 N NH2 . ARG A 1 92 ? 226.778 -18.162 90.526 1.00 49.13 ? 120 ARG A NH2 1 ATOM 629 N N . TRP A 1 93 ? 226.358 -10.783 92.236 1.00 30.44 ? 121 TRP A N 1 ATOM 630 C CA . TRP A 1 93 ? 226.723 -9.805 93.254 1.00 31.01 ? 121 TRP A CA 1 ATOM 631 C C . TRP A 1 93 ? 226.758 -10.476 94.618 1.00 32.02 ? 121 TRP A C 1 ATOM 632 O O . TRP A 1 93 ? 226.404 -11.646 94.773 1.00 32.12 ? 121 TRP A O 1 ATOM 633 C CB . TRP A 1 93 ? 225.745 -8.626 93.261 1.00 30.58 ? 121 TRP A CB 1 ATOM 634 C CG . TRP A 1 93 ? 225.632 -8.103 91.918 1.00 29.72 ? 121 TRP A CG 1 ATOM 635 C CD1 . TRP A 1 93 ? 224.780 -8.532 90.943 1.00 29.10 ? 121 TRP A CD1 1 ATOM 636 C CD2 . TRP A 1 93 ? 226.469 -7.128 91.323 1.00 29.53 ? 121 TRP A CD2 1 ATOM 637 N NE1 . TRP A 1 93 ? 225.023 -7.859 89.782 1.00 28.63 ? 121 TRP A NE1 1 ATOM 638 C CE2 . TRP A 1 93 ? 226.042 -6.972 89.990 1.00 28.81 ? 121 TRP A CE2 1 ATOM 639 C CE3 . TRP A 1 93 ? 227.509 -6.326 91.796 1.00 29.96 ? 121 TRP A CE3 1 ATOM 640 C CZ2 . TRP A 1 93 ? 226.625 -6.040 89.120 1.00 28.48 ? 121 TRP A CZ2 1 ATOM 641 C CZ3 . TRP A 1 93 ? 228.080 -5.437 90.942 1.00 29.53 ? 121 TRP A CZ3 1 ATOM 642 C CH2 . TRP A 1 93 ? 227.641 -5.299 89.614 1.00 28.78 ? 121 TRP A CH2 1 ATOM 643 N N . HIS A 1 94 ? 227.160 -9.694 95.612 1.00 34.30 ? 122 HIS A N 1 ATOM 644 C CA . HIS A 1 94 ? 227.221 -10.114 97.003 1.00 36.54 ? 122 HIS A CA 1 ATOM 645 C C . HIS A 1 94 ? 226.724 -8.960 97.855 1.00 39.12 ? 122 HIS A C 1 ATOM 646 O O . HIS A 1 94 ? 227.246 -7.846 97.746 1.00 50.43 ? 122 HIS A O 1 ATOM 647 C CB . HIS A 1 94 ? 228.645 -10.486 97.376 1.00 42.78 ? 122 HIS A CB 1 ATOM 648 C CG . HIS A 1 94 ? 229.339 -11.319 96.344 1.00 49.61 ? 122 HIS A CG 1 ATOM 649 N ND1 . HIS A 1 94 ? 229.411 -12.696 96.420 1.00 56.79 ? 122 HIS A ND1 1 ATOM 650 C CD2 . HIS A 1 94 ? 229.991 -10.968 95.211 1.00 42.90 ? 122 HIS A CD2 1 ATOM 651 C CE1 . HIS A 1 94 ? 230.087 -13.154 95.379 1.00 59.10 ? 122 HIS A CE1 1 ATOM 652 N NE2 . HIS A 1 94 ? 230.450 -12.126 94.631 1.00 52.39 ? 122 HIS A NE2 1 ATOM 653 N N . CYS A 1 95 ? 225.724 -9.225 98.698 1.00 35.49 ? 123 CYS A N 1 ATOM 654 C CA . CYS A 1 95 ? 224.953 -8.145 99.310 1.00 35.98 ? 123 CYS A CA 1 ATOM 655 C C . CYS A 1 95 ? 225.787 -7.288 100.243 1.00 45.01 ? 123 CYS A C 1 ATOM 656 O O . CYS A 1 95 ? 225.391 -6.162 100.555 1.00 62.31 ? 123 CYS A O 1 ATOM 657 C CB . CYS A 1 95 ? 223.746 -8.712 100.073 1.00 36.50 ? 123 CYS A CB 1 ATOM 658 S SG . CYS A 1 95 ? 224.145 -9.863 101.432 1.00 54.11 ? 123 CYS A SG 1 ATOM 659 N N . ARG A 1 96 ? 226.911 -7.816 100.716 1.00 40.56 ? 124 ARG A N 1 ATOM 660 C CA . ARG A 1 96 ? 227.699 -7.165 101.750 1.00 53.05 ? 124 ARG A CA 1 ATOM 661 C C . ARG A 1 96 ? 228.609 -6.092 101.166 1.00 49.25 ? 124 ARG A C 1 ATOM 662 O O . ARG A 1 96 ? 228.923 -5.116 101.853 1.00 46.01 ? 124 ARG A O 1 ATOM 663 C CB . ARG A 1 96 ? 228.499 -8.234 102.507 1.00 62.57 ? 124 ARG A CB 1 ATOM 664 C CG . ARG A 1 96 ? 229.070 -7.810 103.838 1.00 91.18 ? 124 ARG A CG 1 ATOM 665 C CD . ARG A 1 96 ? 230.574 -7.663 103.732 1.00 112.59 ? 124 ARG A CD 1 ATOM 666 N NE . ARG A 1 96 ? 231.169 -8.794 103.022 1.00 118.81 ? 124 ARG A NE 1 ATOM 667 C CZ . ARG A 1 96 ? 232.443 -8.852 102.647 1.00 126.01 ? 124 ARG A CZ 1 ATOM 668 N NH1 . ARG A 1 96 ? 233.261 -7.840 102.910 1.00 132.08 ? 124 ARG A NH1 1 ATOM 669 N NH2 . ARG A 1 96 ? 232.899 -9.920 102.006 1.00 124.45 ? 124 ARG A NH2 1 ATOM 670 N N . THR A 1 97 ? 229.112 -6.325 99.955 1.00 47.89 ? 125 THR A N 1 ATOM 671 C CA . THR A 1 97 ? 229.937 -5.405 99.196 1.00 45.21 ? 125 THR A CA 1 ATOM 672 C C . THR A 1 97 ? 229.191 -4.686 98.077 1.00 39.06 ? 125 THR A C 1 ATOM 673 O O . THR A 1 97 ? 229.819 -3.923 97.328 1.00 42.71 ? 125 THR A O 1 ATOM 674 C CB . THR A 1 97 ? 231.123 -6.153 98.602 1.00 51.83 ? 125 THR A CB 1 ATOM 675 O OG1 . THR A 1 97 ? 230.646 -7.057 97.595 1.00 50.22 ? 125 THR A OG1 1 ATOM 676 C CG2 . THR A 1 97 ? 231.835 -6.926 99.690 1.00 54.59 ? 125 THR A CG2 1 ATOM 677 N N . LEU A 1 98 ? 227.886 -4.925 97.923 1.00 35.14 ? 126 LEU A N 1 ATOM 678 C CA . LEU A 1 98 ? 227.153 -4.353 96.793 1.00 33.76 ? 126 LEU A CA 1 ATOM 679 C C . LEU A 1 98 ? 227.182 -2.819 96.810 1.00 33.85 ? 126 LEU A C 1 ATOM 680 O O . LEU A 1 98 ? 227.385 -2.193 95.769 1.00 32.85 ? 126 LEU A O 1 ATOM 681 C CB . LEU A 1 98 ? 225.717 -4.895 96.779 1.00 33.43 ? 126 LEU A CB 1 ATOM 682 C CG . LEU A 1 98 ? 224.753 -4.295 95.761 1.00 32.38 ? 126 LEU A CG 1 ATOM 683 C CD1 . LEU A 1 98 ? 225.139 -4.637 94.304 1.00 31.15 ? 126 LEU A CD1 1 ATOM 684 C CD2 . LEU A 1 98 ? 223.312 -4.694 96.058 1.00 32.52 ? 126 LEU A CD2 1 ATOM 685 N N . GLY A 1 99 ? 226.985 -2.197 97.974 1.00 35.15 ? 127 GLY A N 1 ATOM 686 C CA . GLY A 1 99 ? 226.979 -0.740 98.038 1.00 35.39 ? 127 GLY A CA 1 ATOM 687 C C . GLY A 1 99 ? 228.275 -0.129 97.530 1.00 35.01 ? 127 GLY A C 1 ATOM 688 O O . GLY A 1 99 ? 228.271 0.732 96.641 1.00 34.06 ? 127 GLY A O 1 ATOM 689 N N . ASP A 1 100 ? 229.406 -0.612 98.055 1.00 35.82 ? 128 ASP A N 1 ATOM 690 C CA . ASP A 1 100 ? 230.721 -0.202 97.572 1.00 35.57 ? 128 ASP A CA 1 ATOM 691 C C . ASP A 1 100 ? 230.868 -0.413 96.080 1.00 33.92 ? 128 ASP A C 1 ATOM 692 O O . ASP A 1 100 ? 231.463 0.417 95.382 1.00 33.31 ? 128 ASP A O 1 ATOM 693 C CB . ASP A 1 100 ? 231.821 -0.976 98.299 1.00 37.58 ? 128 ASP A CB 1 ATOM 694 C CG . ASP A 1 100 ? 231.837 -0.707 99.788 1.00 52.25 ? 128 ASP A CG 1 ATOM 695 O OD1 . ASP A 1 100 ? 231.361 0.365 100.206 1.00 46.65 ? 128 ASP A OD1 1 ATOM 696 O OD2 . ASP A 1 100 ? 232.319 -1.577 100.538 1.00 74.30 ? 128 ASP A OD2 1 ATOM 697 N N . GLN A 1 101 ? 230.337 -1.510 95.560 1.00 33.29 ? 129 GLN A N 1 ATOM 698 C CA . GLN A 1 101 ? 230.570 -1.762 94.150 1.00 32.05 ? 129 GLN A CA 1 ATOM 699 C C . GLN A 1 101 ? 229.659 -0.907 93.284 1.00 31.01 ? 129 GLN A C 1 ATOM 700 O O . GLN A 1 101 ? 230.095 -0.405 92.244 1.00 30.24 ? 129 GLN A O 1 ATOM 701 C CB . GLN A 1 101 ? 230.425 -3.259 93.864 1.00 31.93 ? 129 GLN A CB 1 ATOM 702 C CG . GLN A 1 101 ? 231.765 -4.002 93.943 1.00 32.63 ? 129 GLN A CG 1 ATOM 703 C CD . GLN A 1 101 ? 231.631 -5.535 93.895 1.00 32.84 ? 129 GLN A CD 1 ATOM 704 O OE1 . GLN A 1 101 ? 230.557 -6.085 93.665 1.00 32.27 ? 129 GLN A OE1 1 ATOM 705 N NE2 . GLN A 1 101 ? 232.729 -6.216 94.120 1.00 33.77 ? 129 GLN A NE2 1 ATOM 706 N N . LEU A 1 102 ? 228.409 -0.690 93.704 1.00 31.14 ? 130 LEU A N 1 ATOM 707 C CA . LEU A 1 102 ? 227.547 0.285 93.025 1.00 30.51 ? 130 LEU A CA 1 ATOM 708 C C . LEU A 1 102 ? 228.216 1.648 92.934 1.00 30.50 ? 130 LEU A C 1 ATOM 709 O O . LEU A 1 102 ? 228.299 2.239 91.850 1.00 29.65 ? 130 LEU A O 1 ATOM 710 C CB . LEU A 1 102 ? 226.212 0.434 93.748 1.00 31.10 ? 130 LEU A CB 1 ATOM 711 C CG . LEU A 1 102 ? 225.223 -0.718 93.726 1.00 30.99 ? 130 LEU A CG 1 ATOM 712 C CD1 . LEU A 1 102 ? 223.945 -0.310 94.456 1.00 31.76 ? 130 LEU A CD1 1 ATOM 713 C CD2 . LEU A 1 102 ? 224.952 -1.163 92.262 1.00 29.85 ? 130 LEU A CD2 1 ATOM 714 N N . SER A 1 103 ? 228.692 2.171 94.070 1.00 31.54 ? 131 SER A N 1 ATOM 715 C CA . SER A 1 103 ? 229.389 3.454 94.044 1.00 31.60 ? 131 SER A CA 1 ATOM 716 C C . SER A 1 103 ? 230.558 3.392 93.086 1.00 30.79 ? 131 SER A C 1 ATOM 717 O O . SER A 1 103 ? 230.723 4.269 92.236 1.00 30.04 ? 131 SER A O 1 ATOM 718 C CB . SER A 1 103 ? 229.885 3.860 95.444 1.00 33.89 ? 131 SER A CB 1 ATOM 719 O OG . SER A 1 103 ? 228.835 4.301 96.272 1.00 36.63 ? 131 SER A OG 1 ATOM 720 N N . LEU A 1 104 ? 231.372 2.344 93.197 1.00 31.11 ? 132 LEU A N 1 ATOM 721 C CA . LEU A 1 104 ? 232.551 2.243 92.348 1.00 30.57 ? 132 LEU A CA 1 ATOM 722 C C . LEU A 1 104 ? 232.164 2.231 90.869 1.00 29.35 ? 132 LEU A C 1 ATOM 723 O O . LEU A 1 104 ? 232.667 3.043 90.077 1.00 28.78 ? 132 LEU A O 1 ATOM 724 C CB . LEU A 1 104 ? 233.338 0.991 92.735 1.00 31.67 ? 132 LEU A CB 1 ATOM 725 C CG . LEU A 1 104 ? 234.747 0.865 92.174 1.00 33.55 ? 132 LEU A CG 1 ATOM 726 C CD1 . LEU A 1 104 ? 235.546 2.171 92.450 1.00 33.17 ? 132 LEU A CD1 1 ATOM 727 C CD2 . LEU A 1 104 ? 235.414 -0.351 92.777 1.00 36.49 ? 132 LEU A CD2 1 ATOM 728 N N . LEU A 1 105 ? 231.226 1.354 90.484 1.00 29.03 ? 133 LEU A N 1 ATOM 729 C CA . LEU A 1 105 ? 230.878 1.213 89.073 1.00 28.16 ? 133 LEU A CA 1 ATOM 730 C C . LEU A 1 105 ? 230.029 2.375 88.558 1.00 27.64 ? 133 LEU A C 1 ATOM 731 O O . LEU A 1 105 ? 230.040 2.639 87.359 1.00 27.07 ? 133 LEU A O 1 ATOM 732 C CB . LEU A 1 105 ? 230.156 -0.123 88.847 1.00 28.14 ? 133 LEU A CB 1 ATOM 733 C CG . LEU A 1 105 ? 230.893 -1.405 89.304 1.00 28.74 ? 133 LEU A CG 1 ATOM 734 C CD1 . LEU A 1 105 ? 229.982 -2.635 89.348 1.00 28.77 ? 133 LEU A CD1 1 ATOM 735 C CD2 . LEU A 1 105 ? 232.070 -1.673 88.424 1.00 28.74 ? 133 LEU A CD2 1 ATOM 736 N N . LEU A 1 106 ? 229.253 3.059 89.419 1.00 28.02 ? 134 LEU A N 1 ATOM 737 C CA . LEU A 1 106 ? 228.571 4.276 88.951 1.00 27.74 ? 134 LEU A CA 1 ATOM 738 C C . LEU A 1 106 ? 229.577 5.315 88.482 1.00 27.38 ? 134 LEU A C 1 ATOM 739 O O . LEU A 1 106 ? 229.312 6.030 87.518 1.00 26.88 ? 134 LEU A O 1 ATOM 740 C CB . LEU A 1 106 ? 227.645 4.882 90.025 1.00 28.50 ? 134 LEU A CB 1 ATOM 741 C CG . LEU A 1 106 ? 226.351 4.048 90.118 1.00 28.71 ? 134 LEU A CG 1 ATOM 742 C CD1 . LEU A 1 106 ? 225.451 4.438 91.300 1.00 29.74 ? 134 LEU A CD1 1 ATOM 743 C CD2 . LEU A 1 106 ? 225.590 4.064 88.804 1.00 28.11 ? 134 LEU A CD2 1 ATOM 744 N N . GLY A 1 107 ? 230.752 5.361 89.095 1.00 27.69 ? 135 GLY A N 1 ATOM 745 C CA . GLY A 1 107 ? 231.784 6.239 88.605 1.00 27.33 ? 135 GLY A CA 1 ATOM 746 C C . GLY A 1 107 ? 231.512 7.720 88.872 1.00 27.39 ? 135 GLY A C 1 ATOM 747 O O . GLY A 1 107 ? 230.695 8.115 89.690 1.00 27.99 ? 135 GLY A O 1 ATOM 748 N N . ALA A 1 108 ? 232.246 8.546 88.156 1.00 26.85 ? 136 ALA A N 1 ATOM 749 C CA . ALA A 1 108 ? 232.013 9.979 88.264 1.00 26.84 ? 136 ALA A CA 1 ATOM 750 C C . ALA A 1 108 ? 232.261 10.597 86.903 1.00 25.97 ? 136 ALA A C 1 ATOM 751 O O . ALA A 1 108 ? 233.244 10.261 86.227 1.00 25.55 ? 136 ALA A O 1 ATOM 752 C CB . ALA A 1 108 ? 232.906 10.628 89.335 1.00 27.48 ? 136 ALA A CB 1 ATOM 753 N N . ARG A 1 109 ? 231.349 11.458 86.493 1.00 25.86 ? 137 ARG A N 1 ATOM 754 C CA . ARG A 1 109 ? 231.654 12.319 85.362 1.00 25.21 ? 137 ARG A CA 1 ATOM 755 C C . ARG A 1 109 ? 232.489 13.511 85.844 1.00 25.20 ? 137 ARG A C 1 ATOM 756 O O . ARG A 1 109 ? 232.501 13.841 87.036 1.00 25.86 ? 137 ARG A O 1 ATOM 757 C CB . ARG A 1 109 ? 230.364 12.781 84.694 1.00 25.28 ? 137 ARG A CB 1 ATOM 758 C CG . ARG A 1 109 ? 229.459 11.656 84.266 1.00 25.43 ? 137 ARG A CG 1 ATOM 759 C CD . ARG A 1 109 ? 228.266 12.285 83.527 1.00 25.69 ? 137 ARG A CD 1 ATOM 760 N NE . ARG A 1 109 ? 227.492 13.069 84.463 1.00 26.39 ? 137 ARG A NE 1 ATOM 761 C CZ . ARG A 1 109 ? 227.180 14.348 84.352 1.00 26.67 ? 137 ARG A CZ 1 ATOM 762 N NH1 . ARG A 1 109 ? 227.509 15.078 83.286 1.00 26.22 ? 137 ARG A NH1 1 ATOM 763 N NH2 . ARG A 1 109 ? 226.469 14.891 85.332 1.00 27.83 ? 137 ARG A NH2 1 ATOM 764 N N . THR A 1 110 ? 233.235 14.126 84.925 1.00 24.57 ? 138 THR A N 1 ATOM 765 C CA . THR A 1 110 ? 234.000 15.315 85.310 1.00 24.50 ? 138 THR A CA 1 ATOM 766 C C . THR A 1 110 ? 233.085 16.402 85.896 1.00 25.37 ? 138 THR A C 1 ATOM 767 O O . THR A 1 110 ? 233.441 17.054 86.888 1.00 26.59 ? 138 THR A O 1 ATOM 768 C CB . THR A 1 110 ? 234.820 15.844 84.129 1.00 23.70 ? 138 THR A CB 1 ATOM 769 O OG1 . THR A 1 110 ? 235.878 14.899 83.830 1.00 23.54 ? 138 THR A OG1 1 ATOM 770 C CG2 . THR A 1 110 ? 235.486 17.165 84.478 1.00 23.58 ? 138 THR A CG2 1 ATOM 771 N N . SER A 1 111 ? 231.869 16.536 85.365 1.00 25.11 ? 139 SER A N 1 ATOM 772 C CA . SER A 1 111 ? 230.885 17.459 85.939 1.00 25.90 ? 139 SER A CA 1 ATOM 773 C C . SER A 1 111 ? 230.655 17.218 87.419 1.00 26.94 ? 139 SER A C 1 ATOM 774 O O . SER A 1 111 ? 230.462 18.176 88.180 1.00 27.74 ? 139 SER A O 1 ATOM 775 C CB . SER A 1 111 ? 229.553 17.338 85.212 1.00 26.14 ? 139 SER A CB 1 ATOM 776 O OG . SER A 1 111 ? 229.590 18.122 84.059 1.00 25.67 ? 139 SER A OG 1 ATOM 777 N N . ASN A 1 112 ? 230.640 15.945 87.844 1.00 27.10 ? 140 ASN A N 1 ATOM 778 C CA . ASN A 1 112 ? 230.358 15.623 89.238 1.00 28.24 ? 140 ASN A CA 1 ATOM 779 C C . ASN A 1 112 ? 231.477 16.079 90.164 1.00 28.70 ? 140 ASN A C 1 ATOM 780 O O . ASN A 1 112 ? 231.219 16.367 91.331 1.00 29.96 ? 140 ASN A O 1 ATOM 781 C CB . ASN A 1 112 ? 230.146 14.095 89.431 1.00 28.27 ? 140 ASN A CB 1 ATOM 782 C CG . ASN A 1 112 ? 229.011 13.539 88.583 1.00 27.97 ? 140 ASN A CG 1 ATOM 783 O OD1 . ASN A 1 112 ? 229.219 12.613 87.842 1.00 27.29 ? 140 ASN A OD1 1 ATOM 784 N ND2 . ASN A 1 112 ? 227.815 14.125 88.675 1.00 28.66 ? 140 ASN A ND2 1 ATOM 785 N N . ILE A 1 113 ? 232.729 16.066 89.700 1.00 27.89 ? 141 ILE A N 1 ATOM 786 C CA . ILE A 1 113 ? 233.860 16.436 90.538 1.00 28.41 ? 141 ILE A CA 1 ATOM 787 C C . ILE A 1 113 ? 234.379 17.842 90.259 1.00 28.10 ? 141 ILE A C 1 ATOM 788 O O . ILE A 1 113 ? 235.449 18.200 90.781 1.00 28.40 ? 141 ILE A O 1 ATOM 789 C CB . ILE A 1 113 ? 235.010 15.401 90.422 1.00 28.07 ? 141 ILE A CB 1 ATOM 790 C CG1 . ILE A 1 113 ? 235.598 15.317 89.002 1.00 26.73 ? 141 ILE A CG1 1 ATOM 791 C CG2 . ILE A 1 113 ? 234.533 14.014 90.877 1.00 28.57 ? 141 ILE A CG2 1 ATOM 792 C CD1 . ILE A 1 113 ? 236.716 14.267 88.873 1.00 26.66 ? 141 ILE A CD1 1 ATOM 793 N N . SER A 1 114 ? 233.760 18.598 89.340 1.00 28.78 ? 142 SER A N 1 ATOM 794 C CA . SER A 1 114 ? 234.133 20.001 89.188 1.00 28.77 ? 142 SER A CA 1 ATOM 795 C C . SER A 1 114 ? 232.861 20.831 89.113 1.00 29.95 ? 142 SER A C 1 ATOM 796 O O . SER A 1 114 ? 232.467 21.237 88.021 1.00 28.51 ? 142 SER A O 1 ATOM 797 C CB . SER A 1 114 ? 234.976 20.139 87.899 1.00 25.95 ? 142 SER A CB 1 ATOM 798 O OG . SER A 1 114 ? 235.425 21.463 87.654 1.00 25.64 ? 142 SER A OG 1 ATOM 799 N N . LYS A 1 115 ? 232.335 21.210 90.255 1.00 29.26 ? 143 LYS A N 1 ATOM 800 C CA . LYS A 1 115 ? 231.100 21.925 90.478 1.00 30.77 ? 143 LYS A CA 1 ATOM 801 C C . LYS A 1 115 ? 231.407 23.407 90.635 1.00 31.86 ? 143 LYS A C 1 ATOM 802 O O . LYS A 1 115 ? 232.491 23.760 91.079 1.00 31.99 ? 143 LYS A O 1 ATOM 803 C CB . LYS A 1 115 ? 230.369 21.442 91.736 1.00 34.05 ? 143 LYS A CB 1 ATOM 804 C CG . LYS A 1 115 ? 229.814 20.038 91.736 1.00 34.23 ? 143 LYS A CG 1 ATOM 805 C CD . LYS A 1 115 ? 229.062 19.764 93.057 1.00 47.00 ? 143 LYS A CD 1 ATOM 806 C CE . LYS A 1 115 ? 227.927 18.760 92.889 1.00 52.41 ? 143 LYS A CE 1 ATOM 807 N NZ . LYS A 1 115 ? 226.789 19.040 93.833 1.00 62.43 ? 143 LYS A NZ 1 ATOM 808 N N . PRO A 1 116 ? 230.500 24.304 90.273 1.00 31.16 ? 144 PRO A N 1 ATOM 809 C CA . PRO A 1 116 ? 230.659 25.695 90.711 1.00 32.01 ? 144 PRO A CA 1 ATOM 810 C C . PRO A 1 116 ? 230.734 25.733 92.226 1.00 33.80 ? 144 PRO A C 1 ATOM 811 O O . PRO A 1 116 ? 230.096 24.927 92.913 1.00 35.62 ? 144 PRO A O 1 ATOM 812 C CB . PRO A 1 116 ? 229.384 26.394 90.185 1.00 32.67 ? 144 PRO A CB 1 ATOM 813 C CG . PRO A 1 116 ? 228.973 25.600 88.997 1.00 31.46 ? 144 PRO A CG 1 ATOM 814 C CD . PRO A 1 116 ? 229.314 24.131 89.413 1.00 31.07 ? 144 PRO A CD 1 ATOM 815 N N . GLY A 1 117 ? 231.544 26.656 92.742 1.00 37.69 ? 145 GLY A N 1 ATOM 816 C CA . GLY A 1 117 ? 231.689 26.814 94.180 1.00 44.03 ? 145 GLY A CA 1 ATOM 817 C C . GLY A 1 117 ? 232.505 25.709 94.817 1.00 61.97 ? 145 GLY A C 1 ATOM 818 O O . GLY A 1 117 ? 232.067 25.105 95.804 1.00 73.35 ? 145 GLY A O 1 ATOM 819 N N . THR A 1 118 ? 233.684 25.436 94.243 1.00 65.93 ? 146 THR A N 1 ATOM 820 C CA . THR A 1 118 ? 234.622 24.387 94.686 1.00 63.42 ? 146 THR A CA 1 ATOM 821 C C . THR A 1 118 ? 233.913 23.049 94.918 1.00 59.16 ? 146 THR A C 1 ATOM 822 O O . THR A 1 118 ? 233.650 22.308 93.957 1.00 44.49 ? 146 THR A O 1 ATOM 823 C CB . THR A 1 118 ? 235.399 24.794 95.975 1.00 105.68 ? 146 THR A CB 1 ATOM 824 O OG1 . THR A 1 118 ? 234.581 24.599 97.136 1.00 114.68 ? 146 THR A OG1 1 ATOM 825 C CG2 . THR A 1 118 ? 235.851 26.257 95.901 1.00 107.89 ? 146 THR A CG2 1 ATOM 826 N N . GLY A 1 128 ? 229.276 7.467 101.800 1.00 49.66 ? 156 GLY A N 1 ATOM 827 C CA . GLY A 1 128 ? 228.120 7.102 101.014 1.00 44.34 ? 156 GLY A CA 1 ATOM 828 C C . GLY A 1 128 ? 227.703 5.645 101.216 1.00 59.22 ? 156 GLY A C 1 ATOM 829 O O . GLY A 1 128 ? 227.999 4.784 100.389 1.00 62.24 ? 156 GLY A O 1 ATOM 830 N N . GLN A 1 129 ? 227.024 5.371 102.326 1.00 63.26 ? 157 GLN A N 1 ATOM 831 C CA . GLN A 1 129 ? 226.472 4.049 102.574 1.00 61.68 ? 157 GLN A CA 1 ATOM 832 C C . GLN A 1 129 ? 225.184 3.859 101.787 1.00 46.88 ? 157 GLN A C 1 ATOM 833 O O . GLN A 1 129 ? 224.437 4.808 101.545 1.00 51.49 ? 157 GLN A O 1 ATOM 834 C CB . GLN A 1 129 ? 226.193 3.853 104.065 1.00 83.07 ? 157 GLN A CB 1 ATOM 835 C CG . GLN A 1 129 ? 227.436 3.746 104.924 1.00 93.70 ? 157 GLN A CG 1 ATOM 836 C CD . GLN A 1 129 ? 228.188 2.457 104.681 1.00 89.63 ? 157 GLN A CD 1 ATOM 837 O OE1 . GLN A 1 129 ? 227.586 1.392 104.534 1.00 88.54 ? 157 GLN A OE1 1 ATOM 838 N NE2 . GLN A 1 129 ? 229.511 2.547 104.625 1.00 88.82 ? 157 GLN A NE2 1 ATOM 839 N N . TRP A 1 130 ? 224.932 2.623 101.375 1.00 57.22 ? 158 TRP A N 1 ATOM 840 C CA . TRP A 1 130 ? 223.673 2.243 100.748 1.00 43.99 ? 158 TRP A CA 1 ATOM 841 C C . TRP A 1 130 ? 222.884 1.358 101.696 1.00 48.12 ? 158 TRP A C 1 ATOM 842 O O . TRP A 1 130 ? 223.460 0.607 102.484 1.00 52.19 ? 158 TRP A O 1 ATOM 843 C CB . TRP A 1 130 ? 223.885 1.488 99.438 1.00 37.71 ? 158 TRP A CB 1 ATOM 844 C CG . TRP A 1 130 ? 224.701 2.217 98.405 1.00 36.47 ? 158 TRP A CG 1 ATOM 845 C CD1 . TRP A 1 130 ? 226.036 2.520 98.470 1.00 36.50 ? 158 TRP A CD1 1 ATOM 846 C CD2 . TRP A 1 130 ? 224.243 2.681 97.121 1.00 35.12 ? 158 TRP A CD2 1 ATOM 847 N NE1 . TRP A 1 130 ? 226.425 3.144 97.319 1.00 35.18 ? 158 TRP A NE1 1 ATOM 848 C CE2 . TRP A 1 130 ? 225.348 3.257 96.473 1.00 34.34 ? 158 TRP A CE2 1 ATOM 849 C CE3 . TRP A 1 130 ? 223.002 2.669 96.464 1.00 34.64 ? 158 TRP A CE3 1 ATOM 850 C CZ2 . TRP A 1 130 ? 225.255 3.815 95.188 1.00 33.09 ? 158 TRP A CZ2 1 ATOM 851 C CZ3 . TRP A 1 130 ? 222.909 3.227 95.192 1.00 33.50 ? 158 TRP A CZ3 1 ATOM 852 C CH2 . TRP A 1 130 ? 224.026 3.792 94.569 1.00 32.73 ? 158 TRP A CH2 1 ATOM 853 N N . ARG A 1 131 ? 221.561 1.436 101.589 1.00 41.14 ? 159 ARG A N 1 ATOM 854 C CA . ARG A 1 131 ? 220.643 0.790 102.517 1.00 42.48 ? 159 ARG A CA 1 ATOM 855 C C . ARG A 1 131 ? 219.329 0.562 101.794 1.00 41.67 ? 159 ARG A C 1 ATOM 856 O O . ARG A 1 131 ? 219.047 1.201 100.784 1.00 40.65 ? 159 ARG A O 1 ATOM 857 C CB . ARG A 1 131 ? 220.395 1.655 103.770 1.00 46.89 ? 159 ARG A CB 1 ATOM 858 C CG . ARG A 1 131 ? 221.643 2.102 104.547 1.00 54.11 ? 159 ARG A CG 1 ATOM 859 C CD . ARG A 1 131 ? 222.284 0.956 105.329 1.00 66.16 ? 159 ARG A CD 1 ATOM 860 N NE . ARG A 1 131 ? 223.690 1.214 105.623 1.00 75.02 ? 159 ARG A NE 1 ATOM 861 C CZ . ARG A 1 131 ? 224.112 1.942 106.652 1.00 100.49 ? 159 ARG A CZ 1 ATOM 862 N NH1 . ARG A 1 131 ? 223.232 2.487 107.482 1.00 109.25 ? 159 ARG A NH1 1 ATOM 863 N NH2 . ARG A 1 131 ? 225.411 2.131 106.852 1.00 109.70 ? 159 ARG A NH2 1 ATOM 864 N N . ILE A 1 132 ? 218.518 -0.352 102.328 1.00 47.72 ? 160 ILE A N 1 ATOM 865 C CA . ILE A 1 132 ? 217.131 -0.437 101.890 1.00 44.00 ? 160 ILE A CA 1 ATOM 866 C C . ILE A 1 132 ? 216.439 0.872 102.232 1.00 52.04 ? 160 ILE A C 1 ATOM 867 O O . ILE A 1 132 ? 216.554 1.379 103.353 1.00 67.15 ? 160 ILE A O 1 ATOM 868 C CB . ILE A 1 132 ? 216.412 -1.629 102.545 1.00 44.02 ? 160 ILE A CB 1 ATOM 869 C CG1 . ILE A 1 132 ? 216.988 -2.947 102.062 1.00 41.29 ? 160 ILE A CG1 1 ATOM 870 C CG2 . ILE A 1 132 ? 214.909 -1.601 102.249 1.00 44.79 ? 160 ILE A CG2 1 ATOM 871 C CD1 . ILE A 1 132 ? 218.104 -3.430 102.899 1.00 48.24 ? 160 ILE A CD1 1 ATOM 872 N N . TYR A 1 133 ? 215.737 1.435 101.255 1.00 42.98 ? 161 TYR A N 1 ATOM 873 C CA . TYR A 1 133 ? 214.908 2.614 101.477 1.00 44.92 ? 161 TYR A CA 1 ATOM 874 C C . TYR A 1 133 ? 213.787 2.269 102.453 1.00 63.15 ? 161 TYR A C 1 ATOM 875 O O . TYR A 1 133 ? 213.296 1.142 102.480 1.00 59.04 ? 161 TYR A O 1 ATOM 876 C CB . TYR A 1 133 ? 214.353 3.091 100.133 1.00 43.43 ? 161 TYR A CB 1 ATOM 877 C CG . TYR A 1 133 ? 213.559 4.369 100.131 1.00 51.73 ? 161 TYR A CG 1 ATOM 878 C CD1 . TYR A 1 133 ? 214.191 5.612 100.020 1.00 48.44 ? 161 TYR A CD1 1 ATOM 879 C CD2 . TYR A 1 133 ? 212.169 4.337 100.190 1.00 62.68 ? 161 TYR A CD2 1 ATOM 880 C CE1 . TYR A 1 133 ? 213.449 6.799 99.996 1.00 53.50 ? 161 TYR A CE1 1 ATOM 881 C CE2 . TYR A 1 133 ? 211.423 5.505 100.171 1.00 73.43 ? 161 TYR A CE2 1 ATOM 882 C CZ . TYR A 1 133 ? 212.062 6.737 100.074 1.00 67.19 ? 161 TYR A CZ 1 ATOM 883 O OH . TYR A 1 133 ? 211.300 7.884 100.049 1.00 71.40 ? 161 TYR A OH 1 ATOM 884 N N . GLY A 1 134 ? 213.331 3.257 103.228 1.00 57.44 ? 162 GLY A N 1 ATOM 885 C CA . GLY A 1 134 ? 212.553 2.884 104.398 1.00 67.79 ? 162 GLY A CA 1 ATOM 886 C C . GLY A 1 134 ? 213.404 2.351 105.536 1.00 74.66 ? 162 GLY A C 1 ATOM 887 O O . GLY A 1 134 ? 214.152 3.112 106.152 1.00 89.73 ? 162 GLY A O 1 ATOM 888 N N . SER A 1 135 ? 213.270 1.063 105.850 1.00 71.73 ? 163 SER A N 1 ATOM 889 C CA . SER A 1 135 ? 213.843 0.469 107.057 1.00 78.27 ? 163 SER A CA 1 ATOM 890 C C . SER A 1 135 ? 215.298 0.849 107.321 1.00 71.57 ? 163 SER A C 1 ATOM 891 O O . SER A 1 135 ? 215.747 0.759 108.466 1.00 85.71 ? 163 SER A O 1 ATOM 892 C CB . SER A 1 135 ? 213.773 -1.056 106.955 1.00 68.32 ? 163 SER A CB 1 ATOM 893 O OG . SER A 1 135 ? 214.855 -1.525 106.166 1.00 55.00 ? 163 SER A OG 1 ATOM 894 N N . GLU A 1 136 ? 216.057 1.211 106.291 1.00 65.96 ? 164 GLU A N 1 ATOM 895 C CA . GLU A 1 136 ? 217.469 1.585 106.400 1.00 65.44 ? 164 GLU A CA 1 ATOM 896 C C . GLU A 1 136 ? 218.347 0.425 106.856 1.00 67.72 ? 164 GLU A C 1 ATOM 897 O O . GLU A 1 136 ? 219.425 0.640 107.420 1.00 77.01 ? 164 GLU A O 1 ATOM 898 C CB . GLU A 1 136 ? 217.662 2.795 107.319 1.00 74.90 ? 164 GLU A CB 1 ATOM 899 C CG . GLU A 1 136 ? 217.059 4.076 106.768 1.00 85.67 ? 164 GLU A CG 1 ATOM 900 C CD . GLU A 1 136 ? 217.849 4.651 105.596 1.00 86.21 ? 164 GLU A CD 1 ATOM 901 O OE1 . GLU A 1 136 ? 219.013 5.055 105.805 1.00 83.57 ? 164 GLU A OE1 1 ATOM 902 O OE2 . GLU A 1 136 ? 217.307 4.694 104.465 1.00 81.86 ? 164 GLU A OE2 1 ATOM 903 N N . GLU A 1 137 ? 217.907 -0.806 106.608 1.00 72.41 ? 165 GLU A N 1 ATOM 904 C CA . GLU A 1 137 ? 218.740 -1.970 106.853 1.00 68.52 ? 165 GLU A CA 1 ATOM 905 C C . GLU A 1 137 ? 219.816 -2.102 105.774 1.00 49.86 ? 165 GLU A C 1 ATOM 906 O O . GLU A 1 137 ? 219.772 -1.440 104.732 1.00 45.13 ? 165 GLU A O 1 ATOM 907 C CB . GLU A 1 137 ? 217.887 -3.229 106.916 1.00 74.71 ? 165 GLU A CB 1 ATOM 908 C CG . GLU A 1 137 ? 218.517 -4.315 107.755 1.00 87.79 ? 165 GLU A CG 1 ATOM 909 C CD . GLU A 1 137 ? 218.093 -4.247 109.185 1.00 108.69 ? 165 GLU A CD 1 ATOM 910 O OE1 . GLU A 1 137 ? 216.889 -4.034 109.430 1.00 114.54 ? 165 GLU A OE1 1 ATOM 911 O OE2 . GLU A 1 137 ? 218.967 -4.403 110.060 1.00 122.85 ? 165 GLU A OE2 1 ATOM 912 N N . ASP A 1 138 ? 220.826 -2.924 106.052 1.00 55.42 ? 166 ASP A N 1 ATOM 913 C CA . ASP A 1 138 ? 221.856 -3.170 105.052 1.00 58.53 ? 166 ASP A CA 1 ATOM 914 C C . ASP A 1 138 ? 221.322 -4.082 103.938 1.00 43.05 ? 166 ASP A C 1 ATOM 915 O O . ASP A 1 138 ? 220.397 -4.879 104.139 1.00 43.93 ? 166 ASP A O 1 ATOM 916 C CB . ASP A 1 138 ? 223.099 -3.779 105.702 1.00 73.86 ? 166 ASP A CB 1 ATOM 917 C CG . ASP A 1 138 ? 222.903 -5.222 106.091 1.00 90.58 ? 166 ASP A CG 1 ATOM 918 O OD1 . ASP A 1 138 ? 221.788 -5.574 106.531 1.00 98.15 ? 166 ASP A OD1 1 ATOM 919 O OD2 . ASP A 1 138 ? 223.863 -6.007 105.952 1.00 97.02 ? 166 ASP A OD2 1 ATOM 920 N N . LEU A 1 139 ? 221.950 -3.993 102.759 1.00 56.08 ? 167 LEU A N 1 ATOM 921 C CA . LEU A 1 139 ? 221.437 -4.649 101.553 1.00 45.33 ? 167 LEU A CA 1 ATOM 922 C C . LEU A 1 139 ? 221.405 -6.174 101.658 1.00 54.74 ? 167 LEU A C 1 ATOM 923 O O . LEU A 1 139 ? 220.948 -6.836 100.714 1.00 51.18 ? 167 LEU A O 1 ATOM 924 C CB . LEU A 1 139 ? 222.263 -4.231 100.338 1.00 37.30 ? 167 LEU A CB 1 ATOM 925 C CG . LEU A 1 139 ? 222.254 -2.715 100.067 1.00 37.40 ? 167 LEU A CG 1 ATOM 926 C CD1 . LEU A 1 139 ? 223.284 -2.341 99.016 1.00 36.14 ? 167 LEU A CD1 1 ATOM 927 C CD2 . LEU A 1 139 ? 220.859 -2.256 99.652 1.00 37.18 ? 167 LEU A CD2 1 ATOM 928 N N . CYS A 1 140 ? 221.920 -6.743 102.747 1.00 55.17 ? 168 CYS A N 1 ATOM 929 C CA . CYS A 1 140 ? 221.758 -8.151 103.080 1.00 49.85 ? 168 CYS A CA 1 ATOM 930 C C . CYS A 1 140 ? 220.471 -8.418 103.846 1.00 52.58 ? 168 CYS A C 1 ATOM 931 O O . CYS A 1 140 ? 220.202 -9.575 104.195 1.00 51.19 ? 168 CYS A O 1 ATOM 932 C CB . CYS A 1 140 ? 222.950 -8.634 103.914 1.00 52.46 ? 168 CYS A CB 1 ATOM 933 S SG . CYS A 1 140 ? 224.531 -8.663 103.040 1.00 63.34 ? 168 CYS A SG 1 ATOM 934 N N . ALA A 1 141 ? 219.673 -7.375 104.114 1.00 45.13 ? 169 ALA A N 1 ATOM 935 C CA . ALA A 1 141 ? 218.491 -7.541 104.959 1.00 54.41 ? 169 ALA A CA 1 ATOM 936 C C . ALA A 1 141 ? 217.554 -8.628 104.446 1.00 47.49 ? 169 ALA A C 1 ATOM 937 O O . ALA A 1 141 ? 217.008 -9.407 105.234 1.00 51.19 ? 169 ALA A O 1 ATOM 938 C CB . ALA A 1 141 ? 217.727 -6.226 105.068 1.00 57.51 ? 169 ALA A CB 1 ATOM 939 N N . LEU A 1 142 ? 217.336 -8.686 103.131 1.00 44.66 ? 170 LEU A N 1 ATOM 940 C CA . LEU A 1 142 ? 216.334 -9.570 102.538 1.00 38.56 ? 170 LEU A CA 1 ATOM 941 C C . LEU A 1 142 ? 217.024 -10.566 101.615 1.00 36.95 ? 170 LEU A C 1 ATOM 942 O O . LEU A 1 142 ? 216.892 -10.508 100.386 1.00 35.56 ? 170 LEU A O 1 ATOM 943 C CB . LEU A 1 142 ? 215.274 -8.755 101.804 1.00 38.17 ? 170 LEU A CB 1 ATOM 944 C CG . LEU A 1 142 ? 214.759 -7.623 102.699 1.00 41.50 ? 170 LEU A CG 1 ATOM 945 C CD1 . LEU A 1 142 ? 213.783 -6.694 101.964 1.00 41.11 ? 170 LEU A CD1 1 ATOM 946 C CD2 . LEU A 1 142 ? 214.128 -8.223 103.968 1.00 46.27 ? 170 LEU A CD2 1 ATOM 947 N N . PRO A 1 143 ? 217.752 -11.515 102.180 1.00 46.44 ? 171 PRO A N 1 ATOM 948 C CA . PRO A 1 143 ? 218.444 -12.488 101.342 1.00 38.55 ? 171 PRO A CA 1 ATOM 949 C C . PRO A 1 143 ? 217.442 -13.335 100.579 1.00 36.25 ? 171 PRO A C 1 ATOM 950 O O . PRO A 1 143 ? 216.240 -13.344 100.864 1.00 40.74 ? 171 PRO A O 1 ATOM 951 C CB . PRO A 1 143 ? 219.228 -13.325 102.348 1.00 41.92 ? 171 PRO A CB 1 ATOM 952 C CG . PRO A 1 143 ? 218.352 -13.295 103.557 1.00 47.22 ? 171 PRO A CG 1 ATOM 953 C CD . PRO A 1 143 ? 217.738 -11.920 103.593 1.00 49.03 ? 171 PRO A CD 1 ATOM 954 N N . TYR A 1 144 ? 217.954 -14.017 99.570 1.00 54.11 ? 172 TYR A N 1 ATOM 955 C CA . TYR A 1 144 ? 217.173 -14.996 98.842 1.00 48.56 ? 172 TYR A CA 1 ATOM 956 C C . TYR A 1 144 ? 217.211 -16.327 99.578 1.00 48.04 ? 172 TYR A C 1 ATOM 957 O O . TYR A 1 144 ? 218.282 -16.793 99.968 1.00 43.92 ? 172 TYR A O 1 ATOM 958 C CB . TYR A 1 144 ? 217.740 -15.161 97.439 1.00 37.64 ? 172 TYR A CB 1 ATOM 959 C CG . TYR A 1 144 ? 217.118 -16.287 96.664 1.00 33.11 ? 172 TYR A CG 1 ATOM 960 C CD1 . TYR A 1 144 ? 215.859 -16.137 96.110 1.00 30.28 ? 172 TYR A CD1 1 ATOM 961 C CD2 . TYR A 1 144 ? 217.804 -17.478 96.453 1.00 32.33 ? 172 TYR A CD2 1 ATOM 962 C CE1 . TYR A 1 144 ? 215.287 -17.130 95.380 1.00 33.46 ? 172 TYR A CE1 1 ATOM 963 C CE2 . TYR A 1 144 ? 217.236 -18.508 95.715 1.00 29.86 ? 172 TYR A CE2 1 ATOM 964 C CZ . TYR A 1 144 ? 215.967 -18.318 95.186 1.00 29.39 ? 172 TYR A CZ 1 ATOM 965 O OH . TYR A 1 144 ? 215.350 -19.285 94.455 1.00 29.23 ? 172 TYR A OH 1 ATOM 966 N N . HIS A 1 145 ? 216.057 -16.960 99.739 1.00 45.78 ? 173 HIS A N 1 ATOM 967 C CA . HIS A 1 145 ? 216.003 -18.308 100.299 1.00 41.04 ? 173 HIS A CA 1 ATOM 968 C C . HIS A 1 145 ? 215.416 -19.270 99.280 1.00 34.04 ? 173 HIS A C 1 ATOM 969 O O . HIS A 1 145 ? 214.370 -18.990 98.683 1.00 31.33 ? 173 HIS A O 1 ATOM 970 C CB . HIS A 1 145 ? 215.212 -18.343 101.615 1.00 42.81 ? 173 HIS A CB 1 ATOM 971 C CG . HIS A 1 145 ? 215.880 -17.584 102.717 1.00 67.62 ? 173 HIS A CG 1 ATOM 972 N ND1 . HIS A 1 145 ? 215.226 -16.638 103.478 1.00 80.65 ? 173 HIS A ND1 1 ATOM 973 C CD2 . HIS A 1 145 ? 217.161 -17.600 103.158 1.00 80.37 ? 173 HIS A CD2 1 ATOM 974 C CE1 . HIS A 1 145 ? 216.068 -16.124 104.357 1.00 89.45 ? 173 HIS A CE1 1 ATOM 975 N NE2 . HIS A 1 145 ? 217.249 -16.690 104.183 1.00 89.69 ? 173 HIS A NE2 1 ATOM 976 N N . GLU A 1 146 ? 216.110 -20.395 99.086 1.00 34.00 ? 174 GLU A N 1 ATOM 977 C CA . GLU A 1 146 ? 215.611 -21.475 98.258 1.00 30.73 ? 174 GLU A CA 1 ATOM 978 C C . GLU A 1 146 ? 214.349 -22.083 98.846 1.00 30.82 ? 174 GLU A C 1 ATOM 979 O O . GLU A 1 146 ? 214.189 -22.215 100.062 1.00 36.44 ? 174 GLU A O 1 ATOM 980 C CB . GLU A 1 146 ? 216.668 -22.560 98.086 1.00 32.28 ? 174 GLU A CB 1 ATOM 981 C CG . GLU A 1 146 ? 217.771 -22.129 97.167 1.00 41.67 ? 174 GLU A CG 1 ATOM 982 C CD . GLU A 1 146 ? 218.543 -23.285 96.605 1.00 51.11 ? 174 GLU A CD 1 ATOM 983 O OE1 . GLU A 1 146 ? 218.617 -24.340 97.285 1.00 62.39 ? 174 GLU A OE1 1 ATOM 984 O OE2 . GLU A 1 146 ? 219.066 -23.131 95.478 1.00 45.81 ? 174 GLU A OE2 1 ATOM 985 N N . VAL A 1 147 ? 213.479 -22.500 97.934 1.00 33.89 ? 175 VAL A N 1 ATOM 986 C CA . VAL A 1 147 ? 212.118 -22.909 98.192 1.00 34.89 ? 175 VAL A CA 1 ATOM 987 C C . VAL A 1 147 ? 211.964 -24.265 97.526 1.00 30.38 ? 175 VAL A C 1 ATOM 988 O O . VAL A 1 147 ? 211.955 -24.355 96.289 1.00 28.39 ? 175 VAL A O 1 ATOM 989 C CB . VAL A 1 147 ? 211.124 -21.887 97.620 1.00 34.91 ? 175 VAL A CB 1 ATOM 990 C CG1 . VAL A 1 147 ? 209.802 -22.485 97.387 1.00 29.64 ? 175 VAL A CG1 1 ATOM 991 C CG2 . VAL A 1 147 ? 210.991 -20.731 98.566 1.00 37.98 ? 175 VAL A CG2 1 ATOM 992 N N . TYR A 1 148 ? 211.834 -25.316 98.327 1.00 29.24 ? 176 TYR A N 1 ATOM 993 C CA . TYR A 1 148 ? 211.769 -26.662 97.758 1.00 28.64 ? 176 TYR A CA 1 ATOM 994 C C . TYR A 1 148 ? 210.377 -26.925 97.215 1.00 28.06 ? 176 TYR A C 1 ATOM 995 O O . TYR A 1 148 ? 209.386 -26.561 97.841 1.00 28.33 ? 176 TYR A O 1 ATOM 996 C CB . TYR A 1 148 ? 212.190 -27.701 98.796 1.00 29.15 ? 176 TYR A CB 1 ATOM 997 C CG . TYR A 1 148 ? 213.586 -27.350 99.265 1.00 38.60 ? 176 TYR A CG 1 ATOM 998 C CD1 . TYR A 1 148 ? 214.697 -27.694 98.507 1.00 31.84 ? 176 TYR A CD1 1 ATOM 999 C CD2 . TYR A 1 148 ? 213.786 -26.579 100.406 1.00 41.64 ? 176 TYR A CD2 1 ATOM 1000 C CE1 . TYR A 1 148 ? 215.972 -27.338 98.901 1.00 39.27 ? 176 TYR A CE1 1 ATOM 1001 C CE2 . TYR A 1 148 ? 215.068 -26.207 100.807 1.00 38.17 ? 176 TYR A CE2 1 ATOM 1002 C CZ . TYR A 1 148 ? 216.150 -26.589 100.051 1.00 41.47 ? 176 TYR A CZ 1 ATOM 1003 O OH . TYR A 1 148 ? 217.409 -26.234 100.455 1.00 50.62 ? 176 TYR A OH 1 ATOM 1004 N N . THR A 1 149 ? 210.305 -27.495 96.020 1.00 27.44 ? 177 THR A N 1 ATOM 1005 C CA . THR A 1 149 ? 209.006 -27.768 95.430 1.00 27.03 ? 177 THR A CA 1 ATOM 1006 C C . THR A 1 149 ? 208.348 -28.999 96.056 1.00 26.87 ? 177 THR A C 1 ATOM 1007 O O . THR A 1 149 ? 209.004 -29.894 96.592 1.00 26.95 ? 177 THR A O 1 ATOM 1008 C CB . THR A 1 149 ? 209.112 -27.955 93.911 1.00 26.67 ? 177 THR A CB 1 ATOM 1009 O OG1 . THR A 1 149 ? 210.198 -28.841 93.606 1.00 26.65 ? 177 THR A OG1 1 ATOM 1010 C CG2 . THR A 1 149 ? 209.340 -26.604 93.232 1.00 26.83 ? 177 THR A CG2 1 ATOM 1011 N N . ILE A 1 150 ? 207.019 -29.032 95.935 1.00 26.73 ? 178 ILE A N 1 ATOM 1012 C CA . ILE A 1 150 ? 206.141 -30.062 96.487 1.00 26.56 ? 178 ILE A CA 1 ATOM 1013 C C . ILE A 1 150 ? 205.453 -30.740 95.310 1.00 26.05 ? 178 ILE A C 1 ATOM 1014 O O . ILE A 1 150 ? 204.851 -30.060 94.469 1.00 26.14 ? 178 ILE A O 1 ATOM 1015 C CB . ILE A 1 150 ? 205.126 -29.439 97.462 1.00 27.10 ? 178 ILE A CB 1 ATOM 1016 C CG1 . ILE A 1 150 ? 205.858 -28.655 98.573 1.00 27.87 ? 178 ILE A CG1 1 ATOM 1017 C CG2 . ILE A 1 150 ? 204.253 -30.455 98.085 1.00 26.99 ? 178 ILE A CG2 1 ATOM 1018 C CD1 . ILE A 1 150 ? 206.646 -29.532 99.510 1.00 28.07 ? 178 ILE A CD1 1 ATOM 1019 N N . GLN A 1 151 ? 205.576 -32.068 95.218 1.00 25.68 ? 179 GLN A N 1 ATOM 1020 C CA . GLN A 1 151 ? 204.983 -32.855 94.122 1.00 25.34 ? 179 GLN A CA 1 ATOM 1021 C C . GLN A 1 151 ? 205.549 -32.289 92.817 1.00 25.50 ? 179 GLN A C 1 ATOM 1022 O O . GLN A 1 151 ? 206.755 -32.038 92.746 1.00 25.65 ? 179 GLN A O 1 ATOM 1023 C CB . GLN A 1 151 ? 203.460 -32.880 94.247 1.00 25.32 ? 179 GLN A CB 1 ATOM 1024 C CG . GLN A 1 151 ? 203.042 -33.529 95.579 1.00 25.24 ? 179 GLN A CG 1 ATOM 1025 C CD . GLN A 1 151 ? 201.592 -34.001 95.686 1.00 25.14 ? 179 GLN A CD 1 ATOM 1026 O OE1 . GLN A 1 151 ? 200.796 -33.896 94.756 1.00 25.19 ? 179 GLN A OE1 1 ATOM 1027 N NE2 . GLN A 1 151 ? 201.248 -34.504 96.847 1.00 25.16 ? 179 GLN A NE2 1 ATOM 1028 N N . GLY A 1 152 ? 204.748 -32.056 91.792 1.00 25.63 ? 180 GLY A N 1 ATOM 1029 C CA . GLY A 1 152 ? 205.379 -31.737 90.530 1.00 25.92 ? 180 GLY A CA 1 ATOM 1030 C C . GLY A 1 152 ? 206.163 -32.939 89.979 1.00 25.93 ? 180 GLY A C 1 ATOM 1031 O O . GLY A 1 152 ? 205.946 -34.099 90.362 1.00 25.67 ? 180 GLY A O 1 ATOM 1032 N N . ASN A 1 153 ? 206.993 -32.646 88.976 1.00 26.36 ? 181 ASN A N 1 ATOM 1033 C CA . ASN A 1 153 ? 207.883 -33.614 88.343 1.00 27.10 ? 181 ASN A CA 1 ATOM 1034 C C . ASN A 1 153 ? 209.370 -33.410 88.657 1.00 27.40 ? 181 ASN A C 1 ATOM 1035 O O . ASN A 1 153 ? 210.212 -33.892 87.889 1.00 28.69 ? 181 ASN A O 1 ATOM 1036 C CB . ASN A 1 153 ? 207.653 -33.637 86.837 1.00 28.63 ? 181 ASN A CB 1 ATOM 1037 C CG . ASN A 1 153 ? 207.964 -32.337 86.186 1.00 29.28 ? 181 ASN A CG 1 ATOM 1038 O OD1 . ASN A 1 153 ? 208.510 -31.438 86.815 1.00 28.53 ? 181 ASN A OD1 1 ATOM 1039 N ND2 . ASN A 1 153 ? 207.639 -32.223 84.907 1.00 31.10 ? 181 ASN A ND2 1 ATOM 1040 N N . SER A 1 154 ? 209.713 -32.562 89.617 1.00 26.66 ? 182 SER A N 1 ATOM 1041 C CA . SER A 1 154 ? 211.095 -32.165 89.869 1.00 26.98 ? 182 SER A CA 1 ATOM 1042 C C . SER A 1 154 ? 211.749 -32.841 91.064 1.00 27.02 ? 182 SER A C 1 ATOM 1043 O O . SER A 1 154 ? 212.810 -32.373 91.492 1.00 27.37 ? 182 SER A O 1 ATOM 1044 C CB . SER A 1 154 ? 211.199 -30.640 90.076 1.00 26.91 ? 182 SER A CB 1 ATOM 1045 O OG . SER A 1 154 ? 210.669 -29.962 88.981 1.00 27.03 ? 182 SER A OG 1 ATOM 1046 N N . HIS A 1 155 ? 211.082 -33.783 91.724 1.00 26.72 ? 183 HIS A N 1 ATOM 1047 C CA . HIS A 1 155 ? 211.690 -34.486 92.854 1.00 26.98 ? 183 HIS A CA 1 ATOM 1048 C C . HIS A 1 155 ? 212.112 -33.544 93.986 1.00 27.14 ? 183 HIS A C 1 ATOM 1049 O O . HIS A 1 155 ? 213.078 -33.824 94.704 1.00 33.03 ? 183 HIS A O 1 ATOM 1050 C CB . HIS A 1 155 ? 212.891 -35.320 92.381 1.00 29.14 ? 183 HIS A CB 1 ATOM 1051 C CG . HIS A 1 155 ? 212.572 -36.235 91.239 1.00 29.92 ? 183 HIS A CG 1 ATOM 1052 N ND1 . HIS A 1 155 ? 211.766 -37.349 91.378 1.00 29.49 ? 183 HIS A ND1 1 ATOM 1053 C CD2 . HIS A 1 155 ? 212.915 -36.183 89.931 1.00 31.64 ? 183 HIS A CD2 1 ATOM 1054 C CE1 . HIS A 1 155 ? 211.647 -37.953 90.206 1.00 30.75 ? 183 HIS A CE1 1 ATOM 1055 N NE2 . HIS A 1 155 ? 212.333 -37.261 89.313 1.00 32.45 ? 183 HIS A NE2 1 ATOM 1056 N N . GLY A 1 156 ? 211.417 -32.417 94.146 1.00 26.82 ? 184 GLY A N 1 ATOM 1057 C CA . GLY A 1 156 ? 211.578 -31.542 95.283 1.00 27.10 ? 184 GLY A CA 1 ATOM 1058 C C . GLY A 1 156 ? 212.607 -30.469 95.093 1.00 27.48 ? 184 GLY A C 1 ATOM 1059 O O . GLY A 1 156 ? 212.883 -29.714 96.036 1.00 27.89 ? 184 GLY A O 1 ATOM 1060 N N . LYS A 1 157 ? 213.206 -30.397 93.918 1.00 28.28 ? 185 LYS A N 1 ATOM 1061 C CA . LYS A 1 157 ? 214.277 -29.464 93.663 1.00 29.22 ? 185 LYS A CA 1 ATOM 1062 C C . LYS A 1 157 ? 213.770 -28.030 93.841 1.00 28.34 ? 185 LYS A C 1 ATOM 1063 O O . LYS A 1 157 ? 212.599 -27.744 93.586 1.00 27.95 ? 185 LYS A O 1 ATOM 1064 C CB . LYS A 1 157 ? 214.826 -29.727 92.254 1.00 29.78 ? 185 LYS A CB 1 ATOM 1065 C CG . LYS A 1 157 ? 215.412 -28.556 91.522 1.00 41.24 ? 185 LYS A CG 1 ATOM 1066 C CD . LYS A 1 157 ? 216.147 -28.995 90.269 1.00 48.69 ? 185 LYS A CD 1 ATOM 1067 C CE . LYS A 1 157 ? 216.999 -27.842 89.728 1.00 47.79 ? 185 LYS A CE 1 ATOM 1068 N NZ . LYS A 1 157 ? 217.243 -27.990 88.255 1.00 49.88 ? 185 LYS A NZ 1 ATOM 1069 N N . PRO A 1 158 ? 214.618 -27.122 94.317 1.00 29.21 ? 186 PRO A N 1 ATOM 1070 C CA . PRO A 1 158 ? 214.151 -25.762 94.628 1.00 31.96 ? 186 PRO A CA 1 ATOM 1071 C C . PRO A 1 158 ? 213.642 -25.037 93.393 1.00 30.07 ? 186 PRO A C 1 ATOM 1072 O O . PRO A 1 158 ? 214.002 -25.351 92.261 1.00 31.79 ? 186 PRO A O 1 ATOM 1073 C CB . PRO A 1 158 ? 215.400 -25.065 95.191 1.00 30.58 ? 186 PRO A CB 1 ATOM 1074 C CG . PRO A 1 158 ? 216.329 -26.159 95.569 1.00 36.36 ? 186 PRO A CG 1 ATOM 1075 C CD . PRO A 1 158 ? 216.032 -27.324 94.656 1.00 31.28 ? 186 PRO A CD 1 ATOM 1076 N N . CYS A 1 159 ? 212.772 -24.062 93.623 1.00 27.63 ? 187 CYS A N 1 ATOM 1077 C CA . CYS A 1 159 ? 212.378 -23.170 92.541 1.00 27.47 ? 187 CYS A CA 1 ATOM 1078 C C . CYS A 1 159 ? 213.615 -22.543 91.914 1.00 31.39 ? 187 CYS A C 1 ATOM 1079 O O . CYS A 1 159 ? 214.579 -22.207 92.602 1.00 31.66 ? 187 CYS A O 1 ATOM 1080 C CB . CYS A 1 159 ? 211.461 -22.059 93.054 1.00 27.70 ? 187 CYS A CB 1 ATOM 1081 S SG . CYS A 1 159 ? 209.877 -22.588 93.712 1.00 35.83 ? 187 CYS A SG 1 ATOM 1082 N N . THR A 1 160 ? 213.579 -22.387 90.602 1.00 33.52 ? 188 THR A N 1 ATOM 1083 C CA . THR A 1 160 ? 214.525 -21.550 89.889 1.00 30.67 ? 188 THR A CA 1 ATOM 1084 C C . THR A 1 160 ? 213.896 -20.174 89.782 1.00 32.10 ? 188 THR A C 1 ATOM 1085 O O . THR A 1 160 ? 212.950 -19.983 89.013 1.00 33.92 ? 188 THR A O 1 ATOM 1086 C CB . THR A 1 160 ? 214.807 -22.122 88.505 1.00 33.20 ? 188 THR A CB 1 ATOM 1087 O OG1 . THR A 1 160 ? 215.400 -23.411 88.647 1.00 35.76 ? 188 THR A OG1 1 ATOM 1088 C CG2 . THR A 1 160 ? 215.741 -21.218 87.740 1.00 39.59 ? 188 THR A CG2 1 ATOM 1089 N N . ILE A 1 161 ? 214.439 -19.220 90.534 1.00 29.85 ? 189 ILE A N 1 ATOM 1090 C CA . ILE A 1 161 ? 213.989 -17.829 90.546 1.00 29.29 ? 189 ILE A CA 1 ATOM 1091 C C . ILE A 1 161 ? 215.075 -16.963 89.953 1.00 29.01 ? 189 ILE A C 1 ATOM 1092 O O . ILE A 1 161 ? 216.204 -16.985 90.431 1.00 40.84 ? 189 ILE A O 1 ATOM 1093 C CB . ILE A 1 161 ? 213.664 -17.362 91.984 1.00 32.06 ? 189 ILE A CB 1 ATOM 1094 C CG1 . ILE A 1 161 ? 212.673 -18.323 92.638 1.00 32.99 ? 189 ILE A CG1 1 ATOM 1095 C CG2 . ILE A 1 161 ? 213.130 -15.941 91.991 1.00 30.00 ? 189 ILE A CG2 1 ATOM 1096 C CD1 . ILE A 1 161 ? 211.327 -18.281 92.021 1.00 28.50 ? 189 ILE A CD1 1 ATOM 1097 N N . PRO A 1 162 ? 214.759 -16.206 88.905 1.00 31.14 ? 190 PRO A N 1 ATOM 1098 C CA . PRO A 1 162 ? 213.537 -16.205 88.099 1.00 32.16 ? 190 PRO A CA 1 ATOM 1099 C C . PRO A 1 162 ? 213.484 -17.341 87.074 1.00 28.85 ? 190 PRO A C 1 ATOM 1100 O O . PRO A 1 162 ? 214.497 -17.962 86.762 1.00 35.01 ? 190 PRO A O 1 ATOM 1101 C CB . PRO A 1 162 ? 213.600 -14.859 87.402 1.00 31.50 ? 190 PRO A CB 1 ATOM 1102 C CG . PRO A 1 162 ? 215.059 -14.646 87.218 1.00 32.25 ? 190 PRO A CG 1 ATOM 1103 C CD . PRO A 1 162 ? 215.712 -15.191 88.435 1.00 30.91 ? 190 PRO A CD 1 ATOM 1104 N N . PHE A 1 163 ? 212.292 -17.619 86.559 1.00 28.28 ? 191 PHE A N 1 ATOM 1105 C CA . PHE A 1 163 ? 212.108 -18.582 85.484 1.00 28.50 ? 191 PHE A CA 1 ATOM 1106 C C . PHE A 1 163 ? 211.242 -17.938 84.420 1.00 29.12 ? 191 PHE A C 1 ATOM 1107 O O . PHE A 1 163 ? 210.470 -17.020 84.702 1.00 29.34 ? 191 PHE A O 1 ATOM 1108 C CB . PHE A 1 163 ? 211.450 -19.896 85.982 1.00 28.33 ? 191 PHE A CB 1 ATOM 1109 C CG . PHE A 1 163 ? 210.124 -19.694 86.684 1.00 28.38 ? 191 PHE A CG 1 ATOM 1110 C CD1 . PHE A 1 163 ? 208.936 -19.721 85.975 1.00 28.88 ? 191 PHE A CD1 1 ATOM 1111 C CD2 . PHE A 1 163 ? 210.073 -19.467 88.044 1.00 28.15 ? 191 PHE A CD2 1 ATOM 1112 C CE1 . PHE A 1 163 ? 207.728 -19.527 86.616 1.00 29.11 ? 191 PHE A CE1 1 ATOM 1113 C CE2 . PHE A 1 163 ? 208.871 -19.283 88.683 1.00 28.41 ? 191 PHE A CE2 1 ATOM 1114 C CZ . PHE A 1 163 ? 207.698 -19.300 87.971 1.00 28.87 ? 191 PHE A CZ 1 ATOM 1115 N N . LYS A 1 164 ? 211.371 -18.410 83.193 1.00 29.62 ? 192 LYS A N 1 ATOM 1116 C CA . LYS A 1 164 ? 210.494 -17.932 82.138 1.00 32.23 ? 192 LYS A CA 1 ATOM 1117 C C . LYS A 1 164 ? 209.339 -18.909 81.959 1.00 30.96 ? 192 LYS A C 1 ATOM 1118 O O . LYS A 1 164 ? 209.526 -20.126 82.004 1.00 30.65 ? 192 LYS A O 1 ATOM 1119 C CB . LYS A 1 164 ? 211.245 -17.739 80.816 1.00 32.39 ? 192 LYS A CB 1 ATOM 1120 C CG . LYS A 1 164 ? 210.390 -17.106 79.746 1.00 40.17 ? 192 LYS A CG 1 ATOM 1121 C CD . LYS A 1 164 ? 211.142 -16.907 78.428 1.00 54.76 ? 192 LYS A CD 1 ATOM 1122 C CE . LYS A 1 164 ? 212.372 -16.040 78.594 1.00 55.69 ? 192 LYS A CE 1 ATOM 1123 N NZ . LYS A 1 164 ? 212.998 -15.792 77.267 1.00 66.43 ? 192 LYS A NZ 1 ATOM 1124 N N . TYR A 1 165 ? 208.136 -18.366 81.799 1.00 31.47 ? 193 TYR A N 1 ATOM 1125 C CA . TYR A 1 165 ? 206.957 -19.165 81.509 1.00 32.04 ? 193 TYR A CA 1 ATOM 1126 C C . TYR A 1 165 ? 206.129 -18.418 80.483 1.00 33.35 ? 193 TYR A C 1 ATOM 1127 O O . TYR A 1 165 ? 205.726 -17.282 80.739 1.00 33.63 ? 193 TYR A O 1 ATOM 1128 C CB . TYR A 1 165 ? 206.116 -19.434 82.758 1.00 31.54 ? 193 TYR A CB 1 ATOM 1129 C CG . TYR A 1 165 ? 204.788 -20.055 82.387 1.00 32.29 ? 193 TYR A CG 1 ATOM 1130 C CD1 . TYR A 1 165 ? 204.709 -21.405 81.998 1.00 32.27 ? 193 TYR A CD1 1 ATOM 1131 C CD2 . TYR A 1 165 ? 203.619 -19.294 82.374 1.00 33.18 ? 193 TYR A CD2 1 ATOM 1132 C CE1 . TYR A 1 165 ? 203.504 -21.976 81.623 1.00 33.03 ? 193 TYR A CE1 1 ATOM 1133 C CE2 . TYR A 1 165 ? 202.412 -19.852 82.004 1.00 34.02 ? 193 TYR A CE2 1 ATOM 1134 C CZ . TYR A 1 165 ? 202.362 -21.206 81.634 1.00 33.89 ? 193 TYR A CZ 1 ATOM 1135 O OH . TYR A 1 165 ? 201.162 -21.754 81.262 1.00 34.78 ? 193 TYR A OH 1 ATOM 1136 N N . ASP A 1 166 ? 205.827 -19.072 79.360 1.00 34.32 ? 194 ASP A N 1 ATOM 1137 C CA . ASP A 1 166 ? 205.090 -18.445 78.257 1.00 36.85 ? 194 ASP A CA 1 ATOM 1138 C C . ASP A 1 166 ? 205.638 -17.056 77.948 1.00 37.23 ? 194 ASP A C 1 ATOM 1139 O O . ASP A 1 166 ? 204.905 -16.064 77.911 1.00 43.05 ? 194 ASP A O 1 ATOM 1140 C CB . ASP A 1 166 ? 203.593 -18.384 78.549 1.00 45.19 ? 194 ASP A CB 1 ATOM 1141 C CG . ASP A 1 166 ? 202.779 -18.043 77.315 1.00 58.77 ? 194 ASP A CG 1 ATOM 1142 O OD1 . ASP A 1 166 ? 203.157 -18.496 76.216 1.00 55.39 ? 194 ASP A OD1 1 ATOM 1143 O OD2 . ASP A 1 166 ? 201.771 -17.323 77.443 1.00 71.18 ? 194 ASP A OD2 1 ATOM 1144 N N . ASN A 1 167 ? 206.959 -16.990 77.780 1.00 36.74 ? 195 ASN A N 1 ATOM 1145 C CA . ASN A 1 167 ? 207.691 -15.786 77.384 1.00 36.96 ? 195 ASN A CA 1 ATOM 1146 C C . ASN A 1 167 ? 207.574 -14.637 78.377 1.00 39.67 ? 195 ASN A C 1 ATOM 1147 O O . ASN A 1 167 ? 207.815 -13.472 78.009 1.00 42.94 ? 195 ASN A O 1 ATOM 1148 C CB . ASN A 1 167 ? 207.258 -15.313 75.995 1.00 49.39 ? 195 ASN A CB 1 ATOM 1149 C CG . ASN A 1 167 ? 207.682 -16.266 74.916 1.00 64.60 ? 195 ASN A CG 1 ATOM 1150 O OD1 . ASN A 1 167 ? 208.830 -16.708 74.890 1.00 67.36 ? 195 ASN A OD1 1 ATOM 1151 N ND2 . ASN A 1 167 ? 206.755 -16.617 74.036 1.00 77.41 ? 195 ASN A ND2 1 ATOM 1152 N N . GLN A 1 168 ? 207.256 -14.919 79.639 1.00 43.91 ? 196 GLN A N 1 ATOM 1153 C CA . GLN A 1 168 ? 207.363 -13.926 80.700 1.00 35.88 ? 196 GLN A CA 1 ATOM 1154 C C . GLN A 1 168 ? 208.317 -14.432 81.775 1.00 34.96 ? 196 GLN A C 1 ATOM 1155 O O . GLN A 1 168 ? 208.463 -15.644 81.972 1.00 36.40 ? 196 GLN A O 1 ATOM 1156 C CB . GLN A 1 168 ? 206.005 -13.616 81.320 1.00 37.73 ? 196 GLN A CB 1 ATOM 1157 C CG . GLN A 1 168 ? 204.944 -13.298 80.298 1.00 55.68 ? 196 GLN A CG 1 ATOM 1158 C CD . GLN A 1 168 ? 203.662 -12.809 80.928 1.00 74.89 ? 196 GLN A CD 1 ATOM 1159 O OE1 . GLN A 1 168 ? 203.177 -13.389 81.899 1.00 75.58 ? 196 GLN A OE1 1 ATOM 1160 N NE2 . GLN A 1 168 ? 203.102 -11.734 80.376 1.00 86.44 ? 196 GLN A NE2 1 ATOM 1161 N N . TRP A 1 169 ? 208.963 -13.495 82.468 1.00 39.75 ? 197 TRP A N 1 ATOM 1162 C CA . TRP A 1 169 ? 209.848 -13.806 83.583 1.00 30.65 ? 197 TRP A CA 1 ATOM 1163 C C . TRP A 1 169 ? 209.091 -13.672 84.899 1.00 36.26 ? 197 TRP A C 1 ATOM 1164 O O . TRP A 1 169 ? 208.396 -12.670 85.122 1.00 40.53 ? 197 TRP A O 1 ATOM 1165 C CB . TRP A 1 169 ? 211.063 -12.883 83.612 1.00 30.24 ? 197 TRP A CB 1 ATOM 1166 C CG . TRP A 1 169 ? 212.082 -13.223 82.642 1.00 30.18 ? 197 TRP A CG 1 ATOM 1167 C CD1 . TRP A 1 169 ? 212.356 -12.574 81.453 1.00 30.73 ? 197 TRP A CD1 1 ATOM 1168 C CD2 . TRP A 1 169 ? 212.994 -14.315 82.727 1.00 29.72 ? 197 TRP A CD2 1 ATOM 1169 N NE1 . TRP A 1 169 ? 213.394 -13.210 80.806 1.00 30.67 ? 197 TRP A NE1 1 ATOM 1170 C CE2 . TRP A 1 169 ? 213.809 -14.273 81.570 1.00 30.08 ? 197 TRP A CE2 1 ATOM 1171 C CE3 . TRP A 1 169 ? 213.215 -15.318 83.674 1.00 29.18 ? 197 TRP A CE3 1 ATOM 1172 C CZ2 . TRP A 1 169 ? 214.813 -15.202 81.342 1.00 30.00 ? 197 TRP A CZ2 1 ATOM 1173 C CZ3 . TRP A 1 169 ? 214.203 -16.233 83.445 1.00 29.06 ? 197 TRP A CZ3 1 ATOM 1174 C CH2 . TRP A 1 169 ? 214.995 -16.178 82.291 1.00 29.62 ? 197 TRP A CH2 1 ATOM 1175 N N . PHE A 1 170 ? 209.252 -14.662 85.776 1.00 29.97 ? 198 PHE A N 1 ATOM 1176 C CA . PHE A 1 170 ? 208.638 -14.644 87.100 1.00 30.00 ? 198 PHE A CA 1 ATOM 1177 C C . PHE A 1 170 ? 209.732 -14.586 88.152 1.00 29.43 ? 198 PHE A C 1 ATOM 1178 O O . PHE A 1 170 ? 210.699 -15.346 88.076 1.00 28.88 ? 198 PHE A O 1 ATOM 1179 C CB . PHE A 1 170 ? 207.723 -15.875 87.303 1.00 30.00 ? 198 PHE A CB 1 ATOM 1180 C CG . PHE A 1 170 ? 206.472 -15.812 86.470 1.00 30.83 ? 198 PHE A CG 1 ATOM 1181 C CD1 . PHE A 1 170 ? 206.488 -16.199 85.148 1.00 31.08 ? 198 PHE A CD1 1 ATOM 1182 C CD2 . PHE A 1 170 ? 205.302 -15.290 86.990 1.00 32.55 ? 198 PHE A CD2 1 ATOM 1183 C CE1 . PHE A 1 170 ? 205.330 -16.107 84.365 1.00 34.95 ? 198 PHE A CE1 1 ATOM 1184 C CE2 . PHE A 1 170 ? 204.158 -15.203 86.218 1.00 36.90 ? 198 PHE A CE2 1 ATOM 1185 C CZ . PHE A 1 170 ? 204.175 -15.614 84.906 1.00 38.11 ? 198 PHE A CZ 1 ATOM 1186 N N . HIS A 1 171 ? 209.606 -13.653 89.092 1.00 29.79 ? 199 HIS A N 1 ATOM 1187 C CA . HIS A 1 171 ? 210.567 -13.496 90.175 1.00 29.55 ? 199 HIS A CA 1 ATOM 1188 C C . HIS A 1 171 ? 210.105 -14.167 91.456 1.00 29.74 ? 199 HIS A C 1 ATOM 1189 O O . HIS A 1 171 ? 210.666 -13.902 92.524 1.00 29.94 ? 199 HIS A O 1 ATOM 1190 C CB . HIS A 1 171 ? 210.873 -12.010 90.429 1.00 29.97 ? 199 HIS A CB 1 ATOM 1191 C CG . HIS A 1 171 ? 209.644 -11.179 90.539 1.00 30.89 ? 199 HIS A CG 1 ATOM 1192 N ND1 . HIS A 1 171 ? 209.039 -10.608 89.441 1.00 31.27 ? 199 HIS A ND1 1 ATOM 1193 C CD2 . HIS A 1 171 ? 208.851 -10.909 91.596 1.00 31.71 ? 199 HIS A CD2 1 ATOM 1194 C CE1 . HIS A 1 171 ? 207.943 -9.986 89.824 1.00 32.28 ? 199 HIS A CE1 1 ATOM 1195 N NE2 . HIS A 1 171 ? 207.806 -10.154 91.128 1.00 32.57 ? 199 HIS A NE2 1 ATOM 1196 N N . GLY A 1 172 ? 209.032 -14.937 91.395 1.00 31.16 ? 200 GLY A N 1 ATOM 1197 C CA . GLY A 1 172 ? 208.628 -15.774 92.497 1.00 30.17 ? 200 GLY A CA 1 ATOM 1198 C C . GLY A 1 172 ? 207.613 -16.789 92.014 1.00 30.70 ? 200 GLY A C 1 ATOM 1199 O O . GLY A 1 172 ? 207.432 -16.988 90.810 1.00 30.78 ? 200 GLY A O 1 ATOM 1200 N N . CYS A 1 173 ? 206.948 -17.424 92.969 1.00 30.31 ? 201 CYS A N 1 ATOM 1201 C CA . CYS A 1 173 ? 205.892 -18.370 92.664 1.00 30.30 ? 201 CYS A CA 1 ATOM 1202 C C . CYS A 1 173 ? 204.690 -17.644 92.062 1.00 32.90 ? 201 CYS A C 1 ATOM 1203 O O . CYS A 1 173 ? 204.493 -16.448 92.266 1.00 35.16 ? 201 CYS A O 1 ATOM 1204 C CB . CYS A 1 173 ? 205.490 -19.122 93.932 1.00 30.74 ? 201 CYS A CB 1 ATOM 1205 S SG . CYS A 1 173 ? 206.850 -20.109 94.594 1.00 40.14 ? 201 CYS A SG 1 ATOM 1206 N N . THR A 1 174 ? 203.867 -18.394 91.327 1.00 30.81 ? 202 THR A N 1 ATOM 1207 C CA . THR A 1 174 ? 202.767 -17.798 90.576 1.00 31.73 ? 202 THR A CA 1 ATOM 1208 C C . THR A 1 174 ? 201.655 -18.819 90.396 1.00 31.90 ? 202 THR A C 1 ATOM 1209 O O . THR A 1 174 ? 201.906 -20.025 90.418 1.00 31.09 ? 202 THR A O 1 ATOM 1210 C CB . THR A 1 174 ? 203.234 -17.322 89.199 1.00 31.70 ? 202 THR A CB 1 ATOM 1211 O OG1 . THR A 1 174 ? 202.120 -16.778 88.501 1.00 33.91 ? 202 THR A OG1 1 ATOM 1212 C CG2 . THR A 1 174 ? 203.760 -18.487 88.399 1.00 30.92 ? 202 THR A CG2 1 ATOM 1213 N N . SER A 1 175 ? 200.421 -18.336 90.229 1.00 33.06 ? 203 SER A N 1 ATOM 1214 C CA . SER A 1 175 ? 199.320 -19.197 89.806 1.00 33.40 ? 203 SER A CA 1 ATOM 1215 C C . SER A 1 175 ? 199.070 -19.148 88.295 1.00 33.86 ? 203 SER A C 1 ATOM 1216 O O . SER A 1 175 ? 198.294 -19.959 87.776 1.00 34.14 ? 203 SER A O 1 ATOM 1217 C CB . SER A 1 175 ? 198.034 -18.848 90.578 1.00 34.64 ? 203 SER A CB 1 ATOM 1218 O OG . SER A 1 175 ? 197.392 -17.683 90.063 1.00 36.06 ? 203 SER A OG 1 ATOM 1219 N N . THR A 1 176 ? 199.756 -18.264 87.586 1.00 33.99 ? 204 THR A N 1 ATOM 1220 C CA . THR A 1 176 ? 199.669 -18.163 86.131 1.00 34.64 ? 204 THR A CA 1 ATOM 1221 C C . THR A 1 176 ? 199.990 -19.488 85.445 1.00 33.90 ? 204 THR A C 1 ATOM 1222 O O . THR A 1 176 ? 201.038 -20.098 85.690 1.00 32.73 ? 204 THR A O 1 ATOM 1223 C CB . THR A 1 176 ? 200.645 -17.081 85.662 1.00 34.53 ? 204 THR A CB 1 ATOM 1224 O OG1 . THR A 1 176 ? 200.150 -15.793 86.081 1.00 37.45 ? 204 THR A OG1 1 ATOM 1225 C CG2 . THR A 1 176 ? 200.852 -17.123 84.144 1.00 35.55 ? 204 THR A CG2 1 ATOM 1226 N N . GLY A 1 177 ? 199.108 -19.917 84.551 1.00 35.50 ? 205 GLY A N 1 ATOM 1227 C CA . GLY A 1 177 ? 199.256 -21.211 83.917 1.00 34.86 ? 205 GLY A CA 1 ATOM 1228 C C . GLY A 1 177 ? 198.452 -22.316 84.544 1.00 34.34 ? 205 GLY A C 1 ATOM 1229 O O . GLY A 1 177 ? 198.470 -23.441 84.025 1.00 36.58 ? 205 GLY A O 1 ATOM 1230 N N . ARG A 1 178 ? 197.749 -22.042 85.643 1.00 34.27 ? 206 ARG A N 1 ATOM 1231 C CA . ARG A 1 178 ? 196.895 -23.012 86.316 1.00 34.05 ? 206 ARG A CA 1 ATOM 1232 C C . ARG A 1 178 ? 195.549 -22.366 86.610 1.00 36.87 ? 206 ARG A C 1 ATOM 1233 O O . ARG A 1 178 ? 195.442 -21.137 86.689 1.00 38.53 ? 206 ARG A O 1 ATOM 1234 C CB . ARG A 1 178 ? 197.501 -23.505 87.628 1.00 32.74 ? 206 ARG A CB 1 ATOM 1235 C CG . ARG A 1 178 ? 198.922 -23.997 87.561 1.00 31.52 ? 206 ARG A CG 1 ATOM 1236 C CD . ARG A 1 178 ? 199.298 -24.705 88.871 1.00 30.50 ? 206 ARG A CD 1 ATOM 1237 N NE . ARG A 1 178 ? 198.332 -25.760 89.182 1.00 30.45 ? 206 ARG A NE 1 ATOM 1238 C CZ . ARG A 1 178 ? 198.425 -27.001 88.709 1.00 29.92 ? 206 ARG A CZ 1 ATOM 1239 N NH1 . ARG A 1 178 ? 199.457 -27.336 87.933 1.00 29.52 ? 206 ARG A NH1 1 ATOM 1240 N NH2 . ARG A 1 178 ? 197.493 -27.906 89.025 1.00 29.89 ? 206 ARG A NH2 1 ATOM 1241 N N . GLU A 1 179 ? 194.508 -23.190 86.720 1.00 35.81 ? 207 GLU A N 1 ATOM 1242 C CA . GLU A 1 179 ? 193.188 -22.688 87.081 1.00 38.24 ? 207 GLU A CA 1 ATOM 1243 C C . GLU A 1 179 ? 192.797 -22.979 88.521 1.00 37.45 ? 207 GLU A C 1 ATOM 1244 O O . GLU A 1 179 ? 191.704 -22.591 88.939 1.00 40.14 ? 207 GLU A O 1 ATOM 1245 C CB . GLU A 1 179 ? 192.139 -23.254 86.126 1.00 40.78 ? 207 GLU A CB 1 ATOM 1246 C CG . GLU A 1 179 ? 192.577 -23.189 84.669 1.00 53.32 ? 207 GLU A CG 1 ATOM 1247 C CD . GLU A 1 179 ? 192.978 -21.782 84.241 1.00 85.08 ? 207 GLU A CD 1 ATOM 1248 O OE1 . GLU A 1 179 ? 192.152 -20.849 84.376 1.00 96.76 ? 207 GLU A OE1 1 ATOM 1249 O OE2 . GLU A 1 179 ? 194.127 -21.611 83.775 1.00 93.59 ? 207 GLU A OE2 1 ATOM 1250 N N . ASP A 1 180 ? 193.625 -23.693 89.271 1.00 35.74 ? 208 ASP A N 1 ATOM 1251 C CA . ASP A 1 180 ? 193.233 -24.189 90.584 1.00 35.11 ? 208 ASP A CA 1 ATOM 1252 C C . ASP A 1 180 ? 193.767 -23.336 91.733 1.00 35.05 ? 208 ASP A C 1 ATOM 1253 O O . ASP A 1 180 ? 193.633 -23.727 92.897 1.00 34.84 ? 208 ASP A O 1 ATOM 1254 C CB . ASP A 1 180 ? 193.640 -25.661 90.740 1.00 33.54 ? 208 ASP A CB 1 ATOM 1255 C CG . ASP A 1 180 ? 195.136 -25.911 90.549 1.00 32.21 ? 208 ASP A CG 1 ATOM 1256 O OD1 . ASP A 1 180 ? 195.940 -24.958 90.396 1.00 32.25 ? 208 ASP A OD1 1 ATOM 1257 O OD2 . ASP A 1 180 ? 195.515 -27.113 90.588 1.00 31.15 ? 208 ASP A OD2 1 ATOM 1258 N N . GLY A 1 181 ? 194.415 -22.208 91.434 1.00 41.33 ? 209 GLY A N 1 ATOM 1259 C CA . GLY A 1 181 ? 194.929 -21.333 92.464 1.00 42.26 ? 209 GLY A CA 1 ATOM 1260 C C . GLY A 1 181 ? 196.266 -21.730 93.062 1.00 41.83 ? 209 GLY A C 1 ATOM 1261 O O . GLY A 1 181 ? 196.924 -20.880 93.669 1.00 40.89 ? 209 GLY A O 1 ATOM 1262 N N . HIS A 1 182 ? 196.710 -22.979 92.892 1.00 39.70 ? 210 HIS A N 1 ATOM 1263 C CA . HIS A 1 182 ? 197.924 -23.430 93.558 1.00 34.70 ? 210 HIS A CA 1 ATOM 1264 C C . HIS A 1 182 ? 199.170 -22.772 92.966 1.00 33.49 ? 210 HIS A C 1 ATOM 1265 O O . HIS A 1 182 ? 199.409 -22.806 91.754 1.00 32.89 ? 210 HIS A O 1 ATOM 1266 C CB . HIS A 1 182 ? 198.019 -24.956 93.495 1.00 30.74 ? 210 HIS A CB 1 ATOM 1267 C CG . HIS A 1 182 ? 196.898 -25.643 94.208 1.00 33.35 ? 210 HIS A CG 1 ATOM 1268 N ND1 . HIS A 1 182 ? 196.216 -26.722 93.677 1.00 31.15 ? 210 HIS A ND1 1 ATOM 1269 C CD2 . HIS A 1 182 ? 196.317 -25.382 95.403 1.00 35.83 ? 210 HIS A CD2 1 ATOM 1270 C CE1 . HIS A 1 182 ? 195.282 -27.110 94.527 1.00 33.04 ? 210 HIS A CE1 1 ATOM 1271 N NE2 . HIS A 1 182 ? 195.321 -26.315 95.581 1.00 36.62 ? 210 HIS A NE2 1 ATOM 1272 N N . LEU A 1 183 ? 199.957 -22.144 93.830 1.00 31.32 ? 211 LEU A N 1 ATOM 1273 C CA . LEU A 1 183 ? 201.156 -21.457 93.378 1.00 30.94 ? 211 LEU A CA 1 ATOM 1274 C C . LEU A 1 183 ? 202.230 -22.478 93.014 1.00 29.76 ? 211 LEU A C 1 ATOM 1275 O O . LEU A 1 183 ? 202.385 -23.514 93.678 1.00 29.26 ? 211 LEU A O 1 ATOM 1276 C CB . LEU A 1 183 ? 201.641 -20.512 94.470 1.00 31.48 ? 211 LEU A CB 1 ATOM 1277 C CG . LEU A 1 183 ? 200.667 -19.392 94.920 1.00 32.93 ? 211 LEU A CG 1 ATOM 1278 C CD1 . LEU A 1 183 ? 201.093 -18.798 96.276 1.00 33.60 ? 211 LEU A CD1 1 ATOM 1279 C CD2 . LEU A 1 183 ? 200.523 -18.269 93.870 1.00 33.47 ? 211 LEU A CD2 1 ATOM 1280 N N . TRP A 1 184 ? 202.975 -22.185 91.955 1.00 29.46 ? 212 TRP A N 1 ATOM 1281 C CA . TRP A 1 184 ? 203.955 -23.119 91.442 1.00 28.62 ? 212 TRP A CA 1 ATOM 1282 C C . TRP A 1 184 ? 205.160 -22.343 90.944 1.00 28.48 ? 212 TRP A C 1 ATOM 1283 O O . TRP A 1 184 ? 205.119 -21.118 90.798 1.00 28.97 ? 212 TRP A O 1 ATOM 1284 C CB . TRP A 1 184 ? 203.349 -23.992 90.325 1.00 28.55 ? 212 TRP A CB 1 ATOM 1285 C CG . TRP A 1 184 ? 203.063 -23.224 89.098 1.00 29.16 ? 212 TRP A CG 1 ATOM 1286 C CD1 . TRP A 1 184 ? 201.973 -22.452 88.851 1.00 30.07 ? 212 TRP A CD1 1 ATOM 1287 C CD2 . TRP A 1 184 ? 203.883 -23.138 87.939 1.00 29.12 ? 212 TRP A CD2 1 ATOM 1288 N NE1 . TRP A 1 184 ? 202.045 -21.903 87.599 1.00 30.59 ? 212 TRP A NE1 1 ATOM 1289 C CE2 . TRP A 1 184 ? 203.215 -22.302 87.015 1.00 30.01 ? 212 TRP A CE2 1 ATOM 1290 C CE3 . TRP A 1 184 ? 205.102 -23.717 87.568 1.00 28.60 ? 212 TRP A CE3 1 ATOM 1291 C CZ2 . TRP A 1 184 ? 203.740 -22.004 85.762 1.00 30.36 ? 212 TRP A CZ2 1 ATOM 1292 C CZ3 . TRP A 1 184 ? 205.619 -23.417 86.324 1.00 28.96 ? 212 TRP A CZ3 1 ATOM 1293 C CH2 . TRP A 1 184 ? 204.940 -22.559 85.439 1.00 29.82 ? 212 TRP A CH2 1 ATOM 1294 N N . CYS A 1 185 ? 206.251 -23.058 90.689 1.00 27.91 ? 213 CYS A N 1 ATOM 1295 C CA . CYS A 1 185 ? 207.416 -22.448 90.064 1.00 27.84 ? 213 CYS A CA 1 ATOM 1296 C C . CYS A 1 185 ? 208.081 -23.438 89.110 1.00 27.57 ? 213 CYS A C 1 ATOM 1297 O O . CYS A 1 185 ? 207.949 -24.663 89.252 1.00 27.33 ? 213 CYS A O 1 ATOM 1298 C CB . CYS A 1 185 ? 208.419 -22.000 91.126 1.00 27.74 ? 213 CYS A CB 1 ATOM 1299 S SG . CYS A 1 185 ? 208.960 -23.438 92.095 1.00 27.37 ? 213 CYS A SG 1 ATOM 1300 N N . ALA A 1 186 ? 208.811 -22.905 88.130 1.00 27.74 ? 214 ALA A N 1 ATOM 1301 C CA . ALA A 1 186 ? 209.667 -23.782 87.335 1.00 27.73 ? 214 ALA A CA 1 ATOM 1302 C C . ALA A 1 186 ? 210.934 -24.146 88.120 1.00 27.44 ? 214 ALA A C 1 ATOM 1303 O O . ALA A 1 186 ? 211.358 -23.437 89.037 1.00 27.33 ? 214 ALA A O 1 ATOM 1304 C CB . ALA A 1 186 ? 210.034 -23.129 86.004 1.00 28.21 ? 214 ALA A CB 1 ATOM 1305 N N . THR A 1 187 ? 211.480 -25.313 87.834 1.00 27.48 ? 215 THR A N 1 ATOM 1306 C CA . THR A 1 187 ? 212.723 -25.713 88.479 1.00 27.47 ? 215 THR A CA 1 ATOM 1307 C C . THR A 1 187 ? 213.913 -25.646 87.537 1.00 28.06 ? 215 THR A C 1 ATOM 1308 O O . THR A 1 187 ? 214.987 -26.144 87.879 1.00 29.68 ? 215 THR A O 1 ATOM 1309 C CB . THR A 1 187 ? 212.585 -27.089 89.129 1.00 27.34 ? 215 THR A CB 1 ATOM 1310 O OG1 . THR A 1 187 ? 212.281 -28.064 88.122 1.00 28.15 ? 215 THR A OG1 1 ATOM 1311 C CG2 . THR A 1 187 ? 211.467 -27.039 90.147 1.00 26.98 ? 215 THR A CG2 1 ATOM 1312 N N . THR A 1 188 ? 213.711 -25.139 86.329 1.00 28.23 ? 216 THR A N 1 ATOM 1313 C CA . THR A 1 188 ? 214.741 -24.550 85.485 1.00 30.66 ? 216 THR A CA 1 ATOM 1314 C C . THR A 1 188 ? 214.294 -23.138 85.150 1.00 33.68 ? 216 THR A C 1 ATOM 1315 O O . THR A 1 188 ? 213.191 -22.711 85.513 1.00 32.30 ? 216 THR A O 1 ATOM 1316 C CB . THR A 1 188 ? 214.953 -25.329 84.181 1.00 37.57 ? 216 THR A CB 1 ATOM 1317 O OG1 . THR A 1 188 ? 213.849 -25.064 83.307 1.00 42.18 ? 216 THR A OG1 1 ATOM 1318 C CG2 . THR A 1 188 ? 215.072 -26.831 84.430 1.00 32.52 ? 216 THR A CG2 1 ATOM 1319 N N . GLN A 1 189 ? 215.125 -22.421 84.404 1.00 36.54 ? 217 GLN A N 1 ATOM 1320 C CA . GLN A 1 189 ? 214.781 -21.037 84.099 1.00 38.04 ? 217 GLN A CA 1 ATOM 1321 C C . GLN A 1 189 ? 213.898 -20.909 82.874 1.00 32.86 ? 217 GLN A C 1 ATOM 1322 O O . GLN A 1 189 ? 213.371 -19.815 82.614 1.00 38.89 ? 217 GLN A O 1 ATOM 1323 C CB . GLN A 1 189 ? 216.037 -20.185 83.922 1.00 34.84 ? 217 GLN A CB 1 ATOM 1324 C CG . GLN A 1 189 ? 217.006 -20.664 82.877 1.00 40.23 ? 217 GLN A CG 1 ATOM 1325 C CD . GLN A 1 189 ? 218.360 -19.958 82.981 1.00 45.95 ? 217 GLN A CD 1 ATOM 1326 O OE1 . GLN A 1 189 ? 218.507 -18.934 83.667 1.00 50.19 ? 217 GLN A OE1 1 ATOM 1327 N NE2 . GLN A 1 189 ? 219.353 -20.507 82.304 1.00 45.49 ? 217 GLN A NE2 1 ATOM 1328 N N . ASP A 1 190 ? 213.712 -21.984 82.119 1.00 30.09 ? 218 ASP A N 1 ATOM 1329 C CA . ASP A 1 190 ? 212.773 -21.951 81.011 1.00 30.87 ? 218 ASP A CA 1 ATOM 1330 C C . ASP A 1 190 ? 211.849 -23.157 81.102 1.00 30.95 ? 218 ASP A C 1 ATOM 1331 O O . ASP A 1 190 ? 212.213 -24.255 80.669 1.00 31.41 ? 218 ASP A O 1 ATOM 1332 C CB . ASP A 1 190 ? 213.529 -21.936 79.686 1.00 35.65 ? 218 ASP A CB 1 ATOM 1333 C CG . ASP A 1 190 ? 212.617 -21.780 78.512 1.00 50.24 ? 218 ASP A CG 1 ATOM 1334 O OD1 . ASP A 1 190 ? 211.431 -21.401 78.705 1.00 55.91 ? 218 ASP A OD1 1 ATOM 1335 O OD2 . ASP A 1 190 ? 213.094 -22.043 77.398 1.00 63.56 ? 218 ASP A OD2 1 ATOM 1336 N N . TYR A 1 191 ? 210.609 -22.911 81.526 1.00 30.71 ? 219 TYR A N 1 ATOM 1337 C CA . TYR A 1 191 ? 209.618 -23.976 81.590 1.00 30.80 ? 219 TYR A CA 1 ATOM 1338 C C . TYR A 1 191 ? 209.251 -24.476 80.202 1.00 33.59 ? 219 TYR A C 1 ATOM 1339 O O . TYR A 1 191 ? 209.047 -25.680 80.014 1.00 41.64 ? 219 TYR A O 1 ATOM 1340 C CB . TYR A 1 191 ? 208.376 -23.490 82.339 1.00 30.46 ? 219 TYR A CB 1 ATOM 1341 C CG . TYR A 1 191 ? 207.266 -24.517 82.419 1.00 30.57 ? 219 TYR A CG 1 ATOM 1342 C CD1 . TYR A 1 191 ? 207.298 -25.532 83.383 1.00 29.80 ? 219 TYR A CD1 1 ATOM 1343 C CD2 . TYR A 1 191 ? 206.197 -24.478 81.528 1.00 32.20 ? 219 TYR A CD2 1 ATOM 1344 C CE1 . TYR A 1 191 ? 206.303 -26.481 83.445 1.00 29.85 ? 219 TYR A CE1 1 ATOM 1345 C CE2 . TYR A 1 191 ? 205.186 -25.413 81.594 1.00 32.93 ? 219 TYR A CE2 1 ATOM 1346 C CZ . TYR A 1 191 ? 205.248 -26.414 82.547 1.00 30.77 ? 219 TYR A CZ 1 ATOM 1347 O OH . TYR A 1 191 ? 204.251 -27.341 82.611 1.00 30.87 ? 219 TYR A OH 1 ATOM 1348 N N . GLY A 1 192 ? 209.196 -23.574 79.213 1.00 32.92 ? 220 GLY A N 1 ATOM 1349 C CA . GLY A 1 192 ? 208.806 -23.978 77.862 1.00 34.41 ? 220 GLY A CA 1 ATOM 1350 C C . GLY A 1 192 ? 209.732 -25.029 77.287 1.00 35.45 ? 220 GLY A C 1 ATOM 1351 O O . GLY A 1 192 ? 209.291 -26.039 76.741 1.00 38.37 ? 220 GLY A O 1 ATOM 1352 N N . LYS A 1 193 ? 211.033 -24.813 77.421 1.00 35.68 ? 221 LYS A N 1 ATOM 1353 C CA . LYS A 1 193 ? 212.012 -25.836 77.083 1.00 37.84 ? 221 LYS A CA 1 ATOM 1354 C C . LYS A 1 193 ? 211.831 -27.100 77.921 1.00 40.90 ? 221 LYS A C 1 ATOM 1355 O O . LYS A 1 193 ? 211.519 -28.159 77.375 1.00 55.48 ? 221 LYS A O 1 ATOM 1356 C CB . LYS A 1 193 ? 213.424 -25.271 77.255 1.00 44.56 ? 221 LYS A CB 1 ATOM 1357 C CG . LYS A 1 193 ? 214.523 -26.118 76.657 1.00 57.63 ? 221 LYS A CG 1 ATOM 1358 C CD . LYS A 1 193 ? 215.853 -25.392 76.751 1.00 66.54 ? 221 LYS A CD 1 ATOM 1359 C CE . LYS A 1 193 ? 217.021 -26.323 76.461 1.00 83.87 ? 221 LYS A CE 1 ATOM 1360 N NZ . LYS A 1 193 ? 217.401 -27.124 77.660 1.00 85.61 ? 221 LYS A NZ 1 ATOM 1361 N N . ASP A 1 194 ? 212.050 -27.001 79.241 1.00 43.69 ? 222 ASP A N 1 ATOM 1362 C CA . ASP A 1 194 ? 212.244 -28.136 80.142 1.00 36.07 ? 222 ASP A CA 1 ATOM 1363 C C . ASP A 1 194 ? 210.963 -28.761 80.721 1.00 32.82 ? 222 ASP A C 1 ATOM 1364 O O . ASP A 1 194 ? 210.932 -29.969 80.954 1.00 32.98 ? 222 ASP A O 1 ATOM 1365 C CB . ASP A 1 194 ? 213.176 -27.711 81.276 1.00 33.25 ? 222 ASP A CB 1 ATOM 1366 C CG . ASP A 1 194 ? 214.567 -27.340 80.778 1.00 41.83 ? 222 ASP A CG 1 ATOM 1367 O OD1 . ASP A 1 194 ? 215.177 -28.148 80.050 1.00 49.76 ? 222 ASP A OD1 1 ATOM 1368 O OD2 . ASP A 1 194 ? 215.051 -26.230 81.105 1.00 35.10 ? 222 ASP A OD2 1 ATOM 1369 N N . GLU A 1 195 ? 209.946 -27.961 81.053 1.00 35.12 ? 223 GLU A N 1 ATOM 1370 C CA . GLU A 1 195 ? 208.675 -28.445 81.615 1.00 32.51 ? 223 GLU A CA 1 ATOM 1371 C C . GLU A 1 195 ? 208.842 -29.130 82.970 1.00 29.92 ? 223 GLU A C 1 ATOM 1372 O O . GLU A 1 195 ? 208.071 -30.043 83.327 1.00 29.66 ? 223 GLU A O 1 ATOM 1373 C CB . GLU A 1 195 ? 207.954 -29.367 80.641 1.00 36.00 ? 223 GLU A CB 1 ATOM 1374 C CG . GLU A 1 195 ? 207.113 -28.595 79.648 1.00 50.78 ? 223 GLU A CG 1 ATOM 1375 C CD . GLU A 1 195 ? 206.735 -29.406 78.420 1.00 68.94 ? 223 GLU A CD 1 ATOM 1376 O OE1 . GLU A 1 195 ? 206.116 -30.487 78.565 1.00 68.58 ? 223 GLU A OE1 1 ATOM 1377 O OE2 . GLU A 1 195 ? 207.070 -28.947 77.308 1.00 81.61 ? 223 GLU A OE2 1 ATOM 1378 N N . ARG A 1 196 ? 209.831 -28.686 83.735 1.00 31.58 ? 224 ARG A N 1 ATOM 1379 C CA . ARG A 1 196 ? 210.078 -29.171 85.080 1.00 29.01 ? 224 ARG A CA 1 ATOM 1380 C C . ARG A 1 196 ? 209.596 -28.117 86.070 1.00 27.98 ? 224 ARG A C 1 ATOM 1381 O O . ARG A 1 196 ? 209.942 -26.933 85.955 1.00 28.06 ? 224 ARG A O 1 ATOM 1382 C CB . ARG A 1 196 ? 211.571 -29.460 85.280 1.00 33.06 ? 224 ARG A CB 1 ATOM 1383 C CG . ARG A 1 196 ? 212.163 -30.538 84.338 1.00 34.23 ? 224 ARG A CG 1 ATOM 1384 C CD . ARG A 1 196 ? 211.718 -31.931 84.791 1.00 32.16 ? 224 ARG A CD 1 ATOM 1385 N NE . ARG A 1 196 ? 211.912 -32.950 83.768 1.00 57.35 ? 224 ARG A NE 1 ATOM 1386 C CZ . ARG A 1 196 ? 211.491 -34.212 83.870 1.00 60.48 ? 224 ARG A CZ 1 ATOM 1387 N NH1 . ARG A 1 196 ? 210.846 -34.624 84.963 1.00 48.07 ? 224 ARG A NH1 1 ATOM 1388 N NH2 . ARG A 1 196 ? 211.712 -35.062 82.876 1.00 57.52 ? 224 ARG A NH2 1 ATOM 1389 N N . TRP A 1 197 ? 208.800 -28.547 87.033 1.00 27.49 ? 225 TRP A N 1 ATOM 1390 C CA . TRP A 1 197 ? 208.085 -27.635 87.903 1.00 27.22 ? 225 TRP A CA 1 ATOM 1391 C C . TRP A 1 197 ? 207.756 -28.381 89.182 1.00 26.76 ? 225 TRP A C 1 ATOM 1392 O O . TRP A 1 197 ? 208.058 -29.572 89.325 1.00 26.60 ? 225 TRP A O 1 ATOM 1393 C CB . TRP A 1 197 ? 206.803 -27.133 87.243 1.00 27.61 ? 225 TRP A CB 1 ATOM 1394 C CG . TRP A 1 197 ? 205.822 -28.232 87.068 1.00 27.64 ? 225 TRP A CG 1 ATOM 1395 C CD1 . TRP A 1 197 ? 205.881 -29.257 86.134 1.00 27.95 ? 225 TRP A CD1 1 ATOM 1396 C CD2 . TRP A 1 197 ? 204.644 -28.483 87.859 1.00 27.44 ? 225 TRP A CD2 1 ATOM 1397 N NE1 . TRP A 1 197 ? 204.807 -30.085 86.285 1.00 27.87 ? 225 TRP A NE1 1 ATOM 1398 C CE2 . TRP A 1 197 ? 204.038 -29.656 87.339 1.00 27.53 ? 225 TRP A CE2 1 ATOM 1399 C CE3 . TRP A 1 197 ? 204.038 -27.829 88.941 1.00 27.35 ? 225 TRP A CE3 1 ATOM 1400 C CZ2 . TRP A 1 197 ? 202.842 -30.185 87.864 1.00 27.40 ? 225 TRP A CZ2 1 ATOM 1401 C CZ3 . TRP A 1 197 ? 202.854 -28.357 89.467 1.00 27.34 ? 225 TRP A CZ3 1 ATOM 1402 C CH2 . TRP A 1 197 ? 202.269 -29.534 88.924 1.00 27.30 ? 225 TRP A CH2 1 ATOM 1403 N N . GLY A 1 198 ? 207.118 -27.654 90.097 1.00 26.70 ? 226 GLY A N 1 ATOM 1404 C CA . GLY A 1 198 ? 206.588 -28.141 91.349 1.00 26.47 ? 226 GLY A CA 1 ATOM 1405 C C . GLY A 1 198 ? 205.744 -27.051 91.978 1.00 26.80 ? 226 GLY A C 1 ATOM 1406 O O . GLY A 1 198 ? 205.750 -25.896 91.539 1.00 27.14 ? 226 GLY A O 1 ATOM 1407 N N . PHE A 1 199 ? 204.983 -27.443 93.001 1.00 26.81 ? 227 PHE A N 1 ATOM 1408 C CA . PHE A 1 199 ? 204.178 -26.491 93.744 1.00 27.37 ? 227 PHE A CA 1 ATOM 1409 C C . PHE A 1 199 ? 205.017 -25.785 94.797 1.00 27.66 ? 227 PHE A C 1 ATOM 1410 O O . PHE A 1 199 ? 205.978 -26.345 95.339 1.00 27.44 ? 227 PHE A O 1 ATOM 1411 C CB . PHE A 1 199 ? 202.994 -27.170 94.429 1.00 27.47 ? 227 PHE A CB 1 ATOM 1412 C CG . PHE A 1 199 ? 201.993 -27.737 93.472 1.00 27.40 ? 227 PHE A CG 1 ATOM 1413 C CD1 . PHE A 1 199 ? 201.125 -26.900 92.779 1.00 28.04 ? 227 PHE A CD1 1 ATOM 1414 C CD2 . PHE A 1 199 ? 201.927 -29.115 93.248 1.00 26.83 ? 227 PHE A CD2 1 ATOM 1415 C CE1 . PHE A 1 199 ? 200.202 -27.428 91.916 1.00 28.18 ? 227 PHE A CE1 1 ATOM 1416 C CE2 . PHE A 1 199 ? 201.003 -29.645 92.398 1.00 26.88 ? 227 PHE A CE2 1 ATOM 1417 C CZ . PHE A 1 199 ? 200.133 -28.820 91.725 1.00 27.59 ? 227 PHE A CZ 1 ATOM 1418 N N . CYS A 1 200 ? 204.603 -24.574 95.121 1.00 17.93 ? 228 CYS A N 1 ATOM 1419 C CA . CYS A 1 200 ? 205.358 -23.933 96.179 1.00 19.55 ? 228 CYS A CA 1 ATOM 1420 C C . CYS A 1 200 ? 204.747 -24.257 97.528 1.00 20.08 ? 228 CYS A C 1 ATOM 1421 O O . CYS A 1 200 ? 203.531 -24.345 97.653 1.00 25.76 ? 228 CYS A O 1 ATOM 1422 C CB . CYS A 1 200 ? 205.394 -22.402 95.965 1.00 21.79 ? 228 CYS A CB 1 ATOM 1423 S SG . CYS A 1 200 ? 206.137 -22.023 94.370 1.00 36.34 ? 228 CYS A SG 1 ATOM 1424 N N . PRO A 1 201 ? 205.578 -24.405 98.552 1.00 19.80 ? 229 PRO A N 1 ATOM 1425 C CA . PRO A 1 201 ? 205.051 -24.700 99.884 1.00 20.66 ? 229 PRO A CA 1 ATOM 1426 C C . PRO A 1 201 ? 204.200 -23.555 100.377 1.00 32.18 ? 229 PRO A C 1 ATOM 1427 O O . PRO A 1 201 ? 204.513 -22.385 100.143 1.00 48.34 ? 229 PRO A O 1 ATOM 1428 C CB . PRO A 1 201 ? 206.318 -24.853 100.727 1.00 22.05 ? 229 PRO A CB 1 ATOM 1429 C CG . PRO A 1 201 ? 207.313 -23.893 100.009 1.00 22.61 ? 229 PRO A CG 1 ATOM 1430 C CD . PRO A 1 201 ? 207.027 -24.120 98.574 1.00 20.57 ? 229 PRO A CD 1 ATOM 1431 N N . ILE A 1 202 ? 203.123 -23.890 101.078 1.00 25.58 ? 230 ILE A N 1 ATOM 1432 C CA . ILE A 1 202 ? 202.283 -22.879 101.715 1.00 39.95 ? 230 ILE A CA 1 ATOM 1433 C C . ILE A 1 202 ? 202.122 -23.207 103.188 1.00 41.98 ? 230 ILE A C 1 ATOM 1434 O O . ILE A 1 202 ? 202.016 -24.378 103.566 1.00 45.48 ? 230 ILE A O 1 ATOM 1435 C CB . ILE A 1 202 ? 200.910 -22.738 101.026 1.00 56.51 ? 230 ILE A CB 1 ATOM 1436 C CG1 . ILE A 1 202 ? 200.318 -24.105 100.718 1.00 54.20 ? 230 ILE A CG1 1 ATOM 1437 C CG2 . ILE A 1 202 ? 201.046 -21.927 99.725 1.00 60.53 ? 230 ILE A CG2 1 ATOM 1438 C CD1 . ILE A 1 202 ? 198.853 -24.059 100.343 1.00 66.87 ? 230 ILE A CD1 1 ATOM 1439 N N . LYS A 1 203 ? 202.149 -22.168 104.026 1.00 33.75 ? 231 LYS A N 1 ATOM 1440 C CA . LYS A 1 203 ? 201.892 -22.308 105.456 1.00 46.45 ? 231 LYS A CA 1 ATOM 1441 C C . LYS A 1 203 ? 200.399 -22.146 105.685 1.00 51.28 ? 231 LYS A C 1 ATOM 1442 O O . LYS A 1 203 ? 199.832 -21.085 105.409 1.00 56.16 ? 231 LYS A O 1 ATOM 1443 C CB . LYS A 1 203 ? 202.676 -21.279 106.276 1.00 51.10 ? 231 LYS A CB 1 ATOM 1444 C CG . LYS A 1 203 ? 204.181 -21.464 106.208 1.00 55.06 ? 231 LYS A CG 1 ATOM 1445 C CD . LYS A 1 203 ? 204.939 -20.432 107.029 1.00 65.25 ? 231 LYS A CD 1 ATOM 1446 C CE . LYS A 1 203 ? 206.438 -20.597 106.831 1.00 67.64 ? 231 LYS A CE 1 ATOM 1447 N NZ . LYS A 1 203 ? 207.241 -20.031 107.941 1.00 79.91 ? 231 LYS A NZ 1 ATOM 1448 N N . SER A 1 204 ? 199.763 -23.194 106.179 1.00 53.51 ? 232 SER A N 1 ATOM 1449 C CA . SER A 1 204 ? 198.340 -23.128 106.460 1.00 64.05 ? 232 SER A CA 1 ATOM 1450 C C . SER A 1 204 ? 198.019 -24.174 107.512 1.00 63.90 ? 232 SER A C 1 ATOM 1451 O O . SER A 1 204 ? 198.803 -25.094 107.759 1.00 65.85 ? 232 SER A O 1 ATOM 1452 C CB . SER A 1 204 ? 197.508 -23.345 105.194 1.00 57.62 ? 232 SER A CB 1 ATOM 1453 O OG . SER A 1 204 ? 197.691 -24.661 104.697 1.00 59.99 ? 232 SER A OG 1 ATOM 1454 N N . ASN A 1 205 ? 196.868 -24.007 108.146 1.00 60.98 ? 233 ASN A N 1 ATOM 1455 C CA . ASN A 1 205 ? 196.410 -24.922 109.182 1.00 73.10 ? 233 ASN A CA 1 ATOM 1456 C C . ASN A 1 205 ? 195.455 -25.984 108.645 1.00 74.46 ? 233 ASN A C 1 ATOM 1457 O O . ASN A 1 205 ? 194.857 -26.724 109.432 1.00 80.94 ? 233 ASN A O 1 ATOM 1458 C CB . ASN A 1 205 ? 195.758 -24.143 110.328 1.00 88.13 ? 233 ASN A CB 1 ATOM 1459 C CG . ASN A 1 205 ? 194.510 -23.419 109.894 1.00 103.97 ? 233 ASN A CG 1 ATOM 1460 O OD1 . ASN A 1 205 ? 194.373 -23.044 108.728 1.00 97.36 ? 233 ASN A OD1 1 ATOM 1461 N ND2 . ASN A 1 205 ? 193.584 -23.219 110.828 1.00 121.05 ? 233 ASN A ND2 1 ATOM 1462 N N . ASP A 1 206 ? 195.262 -26.049 107.334 1.00 83.22 ? 234 ASP A N 1 ATOM 1463 C CA . ASP A 1 206 ? 194.374 -27.035 106.740 1.00 85.91 ? 234 ASP A CA 1 ATOM 1464 C C . ASP A 1 206 ? 195.173 -28.154 106.072 1.00 63.17 ? 234 ASP A C 1 ATOM 1465 O O . ASP A 1 206 ? 196.302 -27.959 105.604 1.00 43.29 ? 234 ASP A O 1 ATOM 1466 C CB . ASP A 1 206 ? 193.422 -26.379 105.740 1.00 103.77 ? 234 ASP A CB 1 ATOM 1467 C CG . ASP A 1 206 ? 193.929 -25.041 105.243 1.00 120.81 ? 234 ASP A CG 1 ATOM 1468 O OD1 . ASP A 1 206 ? 194.881 -25.037 104.435 1.00 119.32 ? 234 ASP A OD1 1 ATOM 1469 O OD2 . ASP A 1 206 ? 193.375 -23.996 105.655 1.00 133.62 ? 234 ASP A OD2 1 ATOM 1470 N N . CYS A 1 207 ? 194.611 -29.355 106.133 1.00 66.76 ? 235 CYS A N 1 ATOM 1471 C CA . CYS A 1 207 ? 195.232 -30.560 105.608 1.00 48.75 ? 235 CYS A CA 1 ATOM 1472 C C . CYS A 1 207 ? 194.636 -31.060 104.293 1.00 54.68 ? 235 CYS A C 1 ATOM 1473 O O . CYS A 1 207 ? 194.855 -32.223 103.938 1.00 63.45 ? 235 CYS A O 1 ATOM 1474 C CB . CYS A 1 207 ? 195.226 -31.627 106.697 1.00 49.43 ? 235 CYS A CB 1 ATOM 1475 S SG . CYS A 1 207 ? 196.215 -30.909 108.016 1.00 60.48 ? 235 CYS A SG 1 ATOM 1476 N N . GLU A 1 208 ? 193.824 -30.257 103.604 1.00 47.41 ? 236 GLU A N 1 ATOM 1477 C CA . GLU A 1 208 ? 193.024 -30.791 102.500 1.00 61.10 ? 236 GLU A CA 1 ATOM 1478 C C . GLU A 1 208 ? 193.883 -31.187 101.292 1.00 49.91 ? 236 GLU A C 1 ATOM 1479 O O . GLU A 1 208 ? 193.738 -32.297 100.766 1.00 57.85 ? 236 GLU A O 1 ATOM 1480 C CB . GLU A 1 208 ? 191.931 -29.791 102.100 1.00 88.45 ? 236 GLU A CB 1 ATOM 1481 C CG . GLU A 1 208 ? 192.414 -28.475 101.491 1.00 102.52 ? 236 GLU A CG 1 ATOM 1482 C CD . GLU A 1 208 ? 192.992 -27.522 102.518 1.00 110.14 ? 236 GLU A CD 1 ATOM 1483 O OE1 . GLU A 1 208 ? 192.277 -26.569 102.900 1.00 119.80 ? 236 GLU A OE1 1 ATOM 1484 O OE2 . GLU A 1 208 ? 194.152 -27.730 102.941 1.00 104.90 ? 236 GLU A OE2 1 ATOM 1485 N N . THR A 1 209 ? 194.759 -30.304 100.814 1.00 54.83 ? 237 THR A N 1 ATOM 1486 C CA . THR A 1 209 ? 195.583 -30.616 99.657 1.00 42.32 ? 237 THR A CA 1 ATOM 1487 C C . THR A 1 209 ? 197.046 -30.755 100.066 1.00 32.48 ? 237 THR A C 1 ATOM 1488 O O . THR A 1 209 ? 197.547 -29.996 100.908 1.00 34.17 ? 237 THR A O 1 ATOM 1489 C CB . THR A 1 209 ? 195.455 -29.557 98.554 1.00 49.36 ? 237 THR A CB 1 ATOM 1490 O OG1 . THR A 1 209 ? 196.193 -28.391 98.916 1.00 65.28 ? 237 THR A OG1 1 ATOM 1491 C CG2 . THR A 1 209 ? 194.008 -29.202 98.308 1.00 47.75 ? 237 THR A CG2 1 ATOM 1492 N N . PHE A 1 210 ? 197.719 -31.740 99.467 1.00 24.17 ? 238 PHE A N 1 ATOM 1493 C CA . PHE A 1 210 ? 199.109 -32.079 99.757 1.00 22.23 ? 238 PHE A CA 1 ATOM 1494 C C . PHE A 1 210 ? 199.313 -32.563 101.187 1.00 23.64 ? 238 PHE A C 1 ATOM 1495 O O . PHE A 1 210 ? 200.435 -32.558 101.690 1.00 30.71 ? 238 PHE A O 1 ATOM 1496 C CB . PHE A 1 210 ? 200.041 -30.885 99.475 1.00 27.17 ? 238 PHE A CB 1 ATOM 1497 C CG . PHE A 1 210 ? 199.821 -30.252 98.149 1.00 32.55 ? 238 PHE A CG 1 ATOM 1498 C CD1 . PHE A 1 210 ? 200.096 -30.946 96.986 1.00 18.87 ? 238 PHE A CD1 1 ATOM 1499 C CD2 . PHE A 1 210 ? 199.343 -28.954 98.057 1.00 47.88 ? 238 PHE A CD2 1 ATOM 1500 C CE1 . PHE A 1 210 ? 199.902 -30.362 95.762 1.00 22.89 ? 238 PHE A CE1 1 ATOM 1501 C CE2 . PHE A 1 210 ? 199.147 -28.353 96.826 1.00 47.08 ? 238 PHE A CE2 1 ATOM 1502 C CZ . PHE A 1 210 ? 199.421 -29.054 95.677 1.00 36.79 ? 238 PHE A CZ 1 ATOM 1503 N N . TRP A 1 211 ? 198.247 -33.023 101.834 1.00 23.99 ? 239 TRP A N 1 ATOM 1504 C CA . TRP A 1 211 ? 198.311 -33.536 103.194 1.00 28.33 ? 239 TRP A CA 1 ATOM 1505 C C . TRP A 1 211 ? 197.305 -34.667 103.358 1.00 33.09 ? 239 TRP A C 1 ATOM 1506 O O . TRP A 1 211 ? 196.321 -34.763 102.627 1.00 30.93 ? 239 TRP A O 1 ATOM 1507 C CB . TRP A 1 211 ? 198.045 -32.433 104.230 1.00 36.86 ? 239 TRP A CB 1 ATOM 1508 C CG . TRP A 1 211 ? 199.156 -31.431 104.297 1.00 37.21 ? 239 TRP A CG 1 ATOM 1509 C CD1 . TRP A 1 211 ? 199.253 -30.261 103.609 1.00 37.49 ? 239 TRP A CD1 1 ATOM 1510 C CD2 . TRP A 1 211 ? 200.346 -31.543 105.068 1.00 28.75 ? 239 TRP A CD2 1 ATOM 1511 N NE1 . TRP A 1 211 ? 200.428 -29.636 103.910 1.00 37.34 ? 239 TRP A NE1 1 ATOM 1512 C CE2 . TRP A 1 211 ? 201.114 -30.398 104.815 1.00 31.10 ? 239 TRP A CE2 1 ATOM 1513 C CE3 . TRP A 1 211 ? 200.831 -32.500 105.963 1.00 25.58 ? 239 TRP A CE3 1 ATOM 1514 C CZ2 . TRP A 1 211 ? 202.346 -30.184 105.412 1.00 29.25 ? 239 TRP A CZ2 1 ATOM 1515 C CZ3 . TRP A 1 211 ? 202.045 -32.288 106.558 1.00 24.15 ? 239 TRP A CZ3 1 ATOM 1516 C CH2 . TRP A 1 211 ? 202.799 -31.139 106.275 1.00 34.52 ? 239 TRP A CH2 1 ATOM 1517 N N . ASP A 1 212 ? 197.579 -35.533 104.328 1.00 28.59 ? 240 ASP A N 1 ATOM 1518 C CA . ASP A 1 212 ? 196.622 -36.506 104.828 1.00 32.35 ? 240 ASP A CA 1 ATOM 1519 C C . ASP A 1 212 ? 196.499 -36.307 106.324 1.00 44.18 ? 240 ASP A C 1 ATOM 1520 O O . ASP A 1 212 ? 197.490 -35.996 106.996 1.00 48.32 ? 240 ASP A O 1 ATOM 1521 C CB . ASP A 1 212 ? 197.067 -37.933 104.502 1.00 30.05 ? 240 ASP A CB 1 ATOM 1522 C CG . ASP A 1 212 ? 197.010 -38.217 103.027 1.00 33.13 ? 240 ASP A CG 1 ATOM 1523 O OD1 . ASP A 1 212 ? 195.930 -38.044 102.434 1.00 45.11 ? 240 ASP A OD1 1 ATOM 1524 O OD2 . ASP A 1 212 ? 198.038 -38.591 102.448 1.00 40.25 ? 240 ASP A OD2 1 ATOM 1525 N N . LYS A 1 213 ? 195.283 -36.456 106.841 1.00 39.07 ? 241 LYS A N 1 ATOM 1526 C CA . LYS A 1 213 ? 195.003 -36.218 108.254 1.00 47.08 ? 241 LYS A CA 1 ATOM 1527 C C . LYS A 1 213 ? 194.684 -37.533 108.945 1.00 48.99 ? 241 LYS A C 1 ATOM 1528 O O . LYS A 1 213 ? 193.801 -38.271 108.500 1.00 48.59 ? 241 LYS A O 1 ATOM 1529 C CB . LYS A 1 213 ? 193.839 -35.240 108.446 1.00 59.68 ? 241 LYS A CB 1 ATOM 1530 C CG . LYS A 1 213 ? 193.592 -34.853 109.920 1.00 72.68 ? 241 LYS A CG 1 ATOM 1531 C CD . LYS A 1 213 ? 192.464 -33.837 110.069 1.00 83.54 ? 241 LYS A CD 1 ATOM 1532 C CE . LYS A 1 213 ? 192.330 -33.342 111.509 1.00 95.19 ? 241 LYS A CE 1 ATOM 1533 N NZ . LYS A 1 213 ? 191.323 -32.244 111.660 1.00 100.33 ? 241 LYS A NZ 1 ATOM 1534 N N . ASP A 1 214 ? 195.401 -37.824 110.028 1.00 39.58 ? 242 ASP A N 1 ATOM 1535 C CA . ASP A 1 214 ? 194.916 -38.830 110.955 1.00 54.04 ? 242 ASP A CA 1 ATOM 1536 C C . ASP A 1 214 ? 193.689 -38.248 111.640 1.00 62.67 ? 242 ASP A C 1 ATOM 1537 O O . ASP A 1 214 ? 193.780 -37.217 112.311 1.00 61.47 ? 242 ASP A O 1 ATOM 1538 C CB . ASP A 1 214 ? 195.999 -39.193 111.972 1.00 56.34 ? 242 ASP A CB 1 ATOM 1539 C CG . ASP A 1 214 ? 195.567 -40.297 112.925 1.00 68.24 ? 242 ASP A CG 1 ATOM 1540 O OD1 . ASP A 1 214 ? 194.591 -41.013 112.615 1.00 78.48 ? 242 ASP A OD1 1 ATOM 1541 O OD2 . ASP A 1 214 ? 196.215 -40.462 113.976 1.00 69.41 ? 242 ASP A OD2 1 ATOM 1542 N N . GLN A 1 215 ? 192.543 -38.900 111.469 1.00 51.56 ? 243 GLN A N 1 ATOM 1543 C CA . GLN A 1 215 ? 191.308 -38.336 111.996 1.00 69.05 ? 243 GLN A CA 1 ATOM 1544 C C . GLN A 1 215 ? 191.177 -38.566 113.494 1.00 64.00 ? 243 GLN A C 1 ATOM 1545 O O . GLN A 1 215 ? 190.504 -37.788 114.178 1.00 57.24 ? 243 GLN A O 1 ATOM 1546 C CB . GLN A 1 215 ? 190.107 -38.926 111.262 1.00 85.24 ? 243 GLN A CB 1 ATOM 1547 C CG . GLN A 1 215 ? 188.914 -38.001 111.253 1.00 98.25 ? 243 GLN A CG 1 ATOM 1548 C CD . GLN A 1 215 ? 189.259 -36.650 110.672 1.00 96.80 ? 243 GLN A CD 1 ATOM 1549 O OE1 . GLN A 1 215 ? 189.202 -35.630 111.363 1.00 109.13 ? 243 GLN A OE1 1 ATOM 1550 N NE2 . GLN A 1 215 ? 189.628 -36.634 109.395 1.00 86.14 ? 243 GLN A NE2 1 ATOM 1551 N N . LEU A 1 216 ? 191.823 -39.615 114.012 1.00 55.97 ? 244 LEU A N 1 ATOM 1552 C CA . LEU A 1 216 ? 191.813 -39.931 115.434 1.00 65.94 ? 244 LEU A CA 1 ATOM 1553 C C . LEU A 1 216 ? 192.625 -38.955 116.263 1.00 72.69 ? 244 LEU A C 1 ATOM 1554 O O . LEU A 1 216 ? 192.570 -39.024 117.496 1.00 84.98 ? 244 LEU A O 1 ATOM 1555 C CB . LEU A 1 216 ? 192.350 -41.341 115.657 1.00 67.23 ? 244 LEU A CB 1 ATOM 1556 C CG . LEU A 1 216 ? 191.385 -42.448 115.247 1.00 61.65 ? 244 LEU A CG 1 ATOM 1557 C CD1 . LEU A 1 216 ? 192.161 -43.702 114.956 1.00 49.87 ? 244 LEU A CD1 1 ATOM 1558 C CD2 . LEU A 1 216 ? 190.363 -42.663 116.349 1.00 63.70 ? 244 LEU A CD2 1 ATOM 1559 N N . THR A 1 217 ? 193.366 -38.054 115.629 1.00 68.22 ? 245 THR A N 1 ATOM 1560 C CA . THR A 1 217 ? 194.235 -37.137 116.343 1.00 74.49 ? 245 THR A CA 1 ATOM 1561 C C . THR A 1 217 ? 194.217 -35.810 115.589 1.00 77.11 ? 245 THR A C 1 ATOM 1562 O O . THR A 1 217 ? 193.397 -35.591 114.693 1.00 80.93 ? 245 THR A O 1 ATOM 1563 C CB . THR A 1 217 ? 195.631 -37.764 116.503 1.00 69.94 ? 245 THR A CB 1 ATOM 1564 O OG1 . THR A 1 217 ? 196.373 -37.070 117.513 1.00 90.44 ? 245 THR A OG1 1 ATOM 1565 C CG2 . THR A 1 217 ? 196.392 -37.712 115.215 1.00 48.71 ? 245 THR A CG2 1 ATOM 1566 N N . ASP A 1 218 ? 195.092 -34.895 115.978 1.00 74.87 ? 246 ASP A N 1 ATOM 1567 C CA . ASP A 1 218 ? 195.234 -33.631 115.274 1.00 75.34 ? 246 ASP A CA 1 ATOM 1568 C C . ASP A 1 218 ? 196.329 -33.663 114.218 1.00 49.43 ? 246 ASP A C 1 ATOM 1569 O O . ASP A 1 218 ? 196.670 -32.615 113.681 1.00 56.51 ? 246 ASP A O 1 ATOM 1570 C CB . ASP A 1 218 ? 195.498 -32.494 116.266 1.00 106.68 ? 246 ASP A CB 1 ATOM 1571 C CG . ASP A 1 218 ? 194.253 -32.100 117.044 1.00 130.61 ? 246 ASP A CG 1 ATOM 1572 O OD1 . ASP A 1 218 ? 193.147 -32.165 116.465 1.00 139.88 ? 246 ASP A OD1 1 ATOM 1573 O OD2 . ASP A 1 218 ? 194.379 -31.728 118.232 1.00 136.36 ? 246 ASP A OD2 1 ATOM 1574 N N . SER A 1 219 ? 196.910 -34.822 113.931 1.00 66.21 ? 247 SER A N 1 ATOM 1575 C CA . SER A 1 219 ? 198.120 -34.883 113.122 1.00 65.35 ? 247 SER A CA 1 ATOM 1576 C C . SER A 1 219 ? 197.830 -34.995 111.626 1.00 49.76 ? 247 SER A C 1 ATOM 1577 O O . SER A 1 219 ? 196.937 -35.734 111.195 1.00 41.73 ? 247 SER A O 1 ATOM 1578 C CB . SER A 1 219 ? 198.998 -36.047 113.574 1.00 66.94 ? 247 SER A CB 1 ATOM 1579 O OG . SER A 1 219 ? 199.511 -35.771 114.868 1.00 79.68 ? 247 SER A OG 1 ATOM 1580 N N . CYS A 1 220 ? 198.600 -34.243 110.841 1.00 52.54 ? 248 CYS A N 1 ATOM 1581 C CA . CYS A 1 220 ? 198.543 -34.276 109.388 1.00 47.43 ? 248 CYS A CA 1 ATOM 1582 C C . CYS A 1 220 ? 199.896 -34.684 108.828 1.00 34.56 ? 248 CYS A C 1 ATOM 1583 O O . CYS A 1 220 ? 200.940 -34.253 109.327 1.00 35.33 ? 248 CYS A O 1 ATOM 1584 C CB . CYS A 1 220 ? 198.159 -32.926 108.828 1.00 51.34 ? 248 CYS A CB 1 ATOM 1585 S SG . CYS A 1 220 ? 196.564 -32.393 109.342 1.00 75.27 ? 248 CYS A SG 1 ATOM 1586 N N . TYR A 1 221 ? 199.876 -35.497 107.783 1.00 36.90 ? 249 TYR A N 1 ATOM 1587 C CA . TYR A 1 221 ? 201.090 -36.118 107.291 1.00 33.58 ? 249 TYR A CA 1 ATOM 1588 C C . TYR A 1 221 ? 201.203 -35.854 105.816 1.00 25.28 ? 249 TYR A C 1 ATOM 1589 O O . TYR A 1 221 ? 200.193 -35.791 105.109 1.00 26.19 ? 249 TYR A O 1 ATOM 1590 C CB . TYR A 1 221 ? 201.119 -37.650 107.549 1.00 34.84 ? 249 TYR A CB 1 ATOM 1591 C CG . TYR A 1 221 ? 201.083 -37.944 109.019 1.00 39.21 ? 249 TYR A CG 1 ATOM 1592 C CD1 . TYR A 1 221 ? 202.233 -37.848 109.787 1.00 44.22 ? 249 TYR A CD1 1 ATOM 1593 C CD2 . TYR A 1 221 ? 199.892 -38.257 109.653 1.00 47.79 ? 249 TYR A CD2 1 ATOM 1594 C CE1 . TYR A 1 221 ? 202.206 -38.085 111.144 1.00 58.07 ? 249 TYR A CE1 1 ATOM 1595 C CE2 . TYR A 1 221 ? 199.852 -38.501 111.013 1.00 59.68 ? 249 TYR A CE2 1 ATOM 1596 C CZ . TYR A 1 221 ? 201.014 -38.416 111.756 1.00 64.56 ? 249 TYR A CZ 1 ATOM 1597 O OH . TYR A 1 221 ? 200.990 -38.651 113.117 1.00 73.00 ? 249 TYR A OH 1 ATOM 1598 N N . GLN A 1 222 ? 202.442 -35.680 105.376 1.00 27.82 ? 250 GLN A N 1 ATOM 1599 C CA . GLN A 1 222 ? 202.764 -35.501 103.980 1.00 23.38 ? 250 GLN A CA 1 ATOM 1600 C C . GLN A 1 222 ? 203.910 -36.454 103.651 1.00 22.51 ? 250 GLN A C 1 ATOM 1601 O O . GLN A 1 222 ? 205.018 -36.313 104.189 1.00 29.26 ? 250 GLN A O 1 ATOM 1602 C CB . GLN A 1 222 ? 203.134 -34.034 103.713 1.00 28.15 ? 250 GLN A CB 1 ATOM 1603 C CG . GLN A 1 222 ? 203.607 -33.734 102.303 1.00 17.66 ? 250 GLN A CG 1 ATOM 1604 C CD . GLN A 1 222 ? 204.098 -32.277 102.168 1.00 24.25 ? 250 GLN A CD 1 ATOM 1605 O OE1 . GLN A 1 222 ? 205.288 -31.994 102.343 1.00 25.78 ? 250 GLN A OE1 1 ATOM 1606 N NE2 . GLN A 1 222 ? 203.175 -31.355 101.866 1.00 26.31 ? 250 GLN A NE2 1 ATOM 1607 N N . PHE A 1 223 ? 203.648 -37.422 102.793 1.00 22.59 ? 251 PHE A N 1 ATOM 1608 C CA . PHE A 1 223 ? 204.655 -38.416 102.419 1.00 18.46 ? 251 PHE A CA 1 ATOM 1609 C C . PHE A 1 223 ? 205.138 -38.051 101.030 1.00 20.85 ? 251 PHE A C 1 ATOM 1610 O O . PHE A 1 223 ? 204.460 -38.340 100.038 1.00 17.86 ? 251 PHE A O 1 ATOM 1611 C CB . PHE A 1 223 ? 204.081 -39.829 102.443 1.00 17.30 ? 251 PHE A CB 1 ATOM 1612 C CG . PHE A 1 223 ? 203.946 -40.400 103.828 1.00 28.28 ? 251 PHE A CG 1 ATOM 1613 C CD1 . PHE A 1 223 ? 202.942 -39.970 104.677 1.00 25.93 ? 251 PHE A CD1 1 ATOM 1614 C CD2 . PHE A 1 223 ? 204.825 -41.374 104.287 1.00 26.24 ? 251 PHE A CD2 1 ATOM 1615 C CE1 . PHE A 1 223 ? 202.828 -40.493 105.948 1.00 29.52 ? 251 PHE A CE1 1 ATOM 1616 C CE2 . PHE A 1 223 ? 204.714 -41.874 105.559 1.00 27.56 ? 251 PHE A CE2 1 ATOM 1617 C CZ . PHE A 1 223 ? 203.714 -41.438 106.383 1.00 29.83 ? 251 PHE A CZ 1 ATOM 1618 N N . ASN A 1 224 ? 206.339 -37.487 100.927 1.00 19.85 ? 252 ASN A N 1 ATOM 1619 C CA . ASN A 1 224 ? 206.739 -37.027 99.609 1.00 16.65 ? 252 ASN A CA 1 ATOM 1620 C C . ASN A 1 224 ? 207.614 -38.121 99.010 1.00 23.40 ? 252 ASN A C 1 ATOM 1621 O O . ASN A 1 224 ? 208.817 -37.949 98.813 1.00 23.24 ? 252 ASN A O 1 ATOM 1622 C CB . ASN A 1 224 ? 207.495 -35.700 99.719 1.00 21.82 ? 252 ASN A CB 1 ATOM 1623 C CG . ASN A 1 224 ? 206.687 -34.617 100.409 1.00 25.26 ? 252 ASN A CG 1 ATOM 1624 O OD1 . ASN A 1 224 ? 205.681 -34.167 99.881 1.00 22.50 ? 252 ASN A OD1 1 ATOM 1625 N ND2 . ASN A 1 224 ? 207.141 -34.178 101.578 1.00 26.30 ? 252 ASN A ND2 1 ATOM 1626 N N . PHE A 1 225 ? 206.932 -39.123 98.443 1.00 21.41 ? 253 PHE A N 1 ATOM 1627 C CA . PHE A 1 225 ? 207.613 -40.307 97.942 1.00 25.19 ? 253 PHE A CA 1 ATOM 1628 C C . PHE A 1 225 ? 208.499 -39.985 96.748 1.00 25.88 ? 253 PHE A C 1 ATOM 1629 O O . PHE A 1 225 ? 209.495 -40.671 96.520 1.00 29.12 ? 253 PHE A O 1 ATOM 1630 C CB . PHE A 1 225 ? 206.582 -41.394 97.564 1.00 18.95 ? 253 PHE A CB 1 ATOM 1631 C CG . PHE A 1 225 ? 205.894 -42.029 98.743 1.00 20.55 ? 253 PHE A CG 1 ATOM 1632 C CD1 . PHE A 1 225 ? 206.592 -42.867 99.607 1.00 20.27 ? 253 PHE A CD1 1 ATOM 1633 C CD2 . PHE A 1 225 ? 204.559 -41.776 99.004 1.00 17.38 ? 253 PHE A CD2 1 ATOM 1634 C CE1 . PHE A 1 225 ? 205.954 -43.486 100.669 1.00 29.91 ? 253 PHE A CE1 1 ATOM 1635 C CE2 . PHE A 1 225 ? 203.921 -42.385 100.082 1.00 22.51 ? 253 PHE A CE2 1 ATOM 1636 C CZ . PHE A 1 225 ? 204.630 -43.243 100.910 1.00 27.68 ? 253 PHE A CZ 1 ATOM 1637 N N . GLN A 1 226 ? 208.159 -38.962 95.972 1.00 20.46 ? 254 GLN A N 1 ATOM 1638 C CA . GLN A 1 226 ? 208.848 -38.706 94.708 1.00 21.48 ? 254 GLN A CA 1 ATOM 1639 C C . GLN A 1 226 ? 209.997 -37.707 94.843 1.00 25.75 ? 254 GLN A C 1 ATOM 1640 O O . GLN A 1 226 ? 210.675 -37.406 93.853 1.00 28.16 ? 254 GLN A O 1 ATOM 1641 C CB . GLN A 1 226 ? 207.848 -38.194 93.668 1.00 22.98 ? 254 GLN A CB 1 ATOM 1642 C CG . GLN A 1 226 ? 206.540 -38.932 93.658 1.00 31.62 ? 254 GLN A CG 1 ATOM 1643 C CD . GLN A 1 226 ? 206.673 -40.392 93.205 1.00 36.03 ? 254 GLN A CD 1 ATOM 1644 O OE1 . GLN A 1 226 ? 207.530 -40.723 92.390 1.00 29.44 ? 254 GLN A OE1 1 ATOM 1645 N NE2 . GLN A 1 226 ? 205.814 -41.267 93.750 1.00 29.25 ? 254 GLN A NE2 1 ATOM 1646 N N . SER A 1 227 ? 210.237 -37.191 96.037 1.00 17.13 ? 255 SER A N 1 ATOM 1647 C CA . SER A 1 227 ? 211.254 -36.174 96.227 1.00 21.44 ? 255 SER A CA 1 ATOM 1648 C C . SER A 1 227 ? 212.566 -36.821 96.627 1.00 32.71 ? 255 SER A C 1 ATOM 1649 O O . SER A 1 227 ? 212.594 -37.895 97.224 1.00 39.16 ? 255 SER A O 1 ATOM 1650 C CB . SER A 1 227 ? 210.802 -35.162 97.265 1.00 20.68 ? 255 SER A CB 1 ATOM 1651 O OG . SER A 1 227 ? 209.648 -34.531 96.744 1.00 27.00 ? 255 SER A OG 1 ATOM 1652 N N . THR A 1 228 ? 213.663 -36.201 96.212 1.00 24.69 ? 256 THR A N 1 ATOM 1653 C CA . THR A 1 228 ? 214.982 -36.638 96.657 1.00 36.99 ? 256 THR A CA 1 ATOM 1654 C C . THR A 1 228 ? 215.711 -35.425 97.204 1.00 35.34 ? 256 THR A C 1 ATOM 1655 O O . THR A 1 228 ? 216.264 -34.630 96.436 1.00 35.71 ? 256 THR A O 1 ATOM 1656 C CB . THR A 1 228 ? 215.760 -37.292 95.513 1.00 39.18 ? 256 THR A CB 1 ATOM 1657 O OG1 . THR A 1 228 ? 215.843 -36.378 94.412 1.00 32.70 ? 256 THR A OG1 1 ATOM 1658 C CG2 . THR A 1 228 ? 215.048 -38.562 95.047 1.00 33.14 ? 256 THR A CG2 1 ATOM 1659 N N . LEU A 1 229 ? 215.810 -35.362 98.530 1.00 29.81 ? 257 LEU A N 1 ATOM 1660 C CA . LEU A 1 229 ? 216.386 -34.235 99.242 1.00 37.76 ? 257 LEU A CA 1 ATOM 1661 C C . LEU A 1 229 ? 217.257 -34.744 100.377 1.00 47.10 ? 257 LEU A C 1 ATOM 1662 O O . LEU A 1 229 ? 216.988 -35.789 100.972 1.00 49.91 ? 257 LEU A O 1 ATOM 1663 C CB . LEU A 1 229 ? 215.306 -33.305 99.819 1.00 36.51 ? 257 LEU A CB 1 ATOM 1664 C CG . LEU A 1 229 ? 214.444 -32.514 98.853 1.00 27.01 ? 257 LEU A CG 1 ATOM 1665 C CD1 . LEU A 1 229 ? 213.574 -31.521 99.603 1.00 26.18 ? 257 LEU A CD1 1 ATOM 1666 C CD2 . LEU A 1 229 ? 215.329 -31.805 97.810 1.00 22.30 ? 257 LEU A CD2 1 ATOM 1667 N N . SER A 1 230 ? 218.298 -33.977 100.679 1.00 39.03 ? 258 SER A N 1 ATOM 1668 C CA . SER A 1 230 ? 219.073 -34.203 101.893 1.00 49.49 ? 258 SER A CA 1 ATOM 1669 C C . SER A 1 230 ? 218.233 -33.882 103.128 1.00 42.54 ? 258 SER A C 1 ATOM 1670 O O . SER A 1 230 ? 217.234 -33.158 103.074 1.00 37.96 ? 258 SER A O 1 ATOM 1671 C CB . SER A 1 230 ? 220.336 -33.346 101.902 1.00 47.01 ? 258 SER A CB 1 ATOM 1672 O OG . SER A 1 230 ? 220.019 -32.041 102.335 1.00 50.64 ? 258 SER A OG 1 ATOM 1673 N N . TRP A 1 231 ? 218.643 -34.452 104.253 1.00 40.16 ? 259 TRP A N 1 ATOM 1674 C CA . TRP A 1 231 ? 217.886 -34.268 105.484 1.00 39.21 ? 259 TRP A CA 1 ATOM 1675 C C . TRP A 1 231 ? 217.696 -32.792 105.801 1.00 44.44 ? 259 TRP A C 1 ATOM 1676 O O . TRP A 1 231 ? 216.603 -32.370 106.193 1.00 48.18 ? 259 TRP A O 1 ATOM 1677 C CB . TRP A 1 231 ? 218.589 -34.981 106.631 1.00 46.51 ? 259 TRP A CB 1 ATOM 1678 C CG . TRP A 1 231 ? 217.798 -35.058 107.884 1.00 43.80 ? 259 TRP A CG 1 ATOM 1679 C CD1 . TRP A 1 231 ? 217.024 -36.102 108.301 1.00 31.99 ? 259 TRP A CD1 1 ATOM 1680 C CD2 . TRP A 1 231 ? 217.735 -34.067 108.926 1.00 51.81 ? 259 TRP A CD2 1 ATOM 1681 N NE1 . TRP A 1 231 ? 216.474 -35.819 109.537 1.00 37.19 ? 259 TRP A NE1 1 ATOM 1682 C CE2 . TRP A 1 231 ? 216.894 -34.576 109.939 1.00 43.09 ? 259 TRP A CE2 1 ATOM 1683 C CE3 . TRP A 1 231 ? 218.305 -32.801 109.098 1.00 56.13 ? 259 TRP A CE3 1 ATOM 1684 C CZ2 . TRP A 1 231 ? 216.605 -33.859 111.097 1.00 53.60 ? 259 TRP A CZ2 1 ATOM 1685 C CZ3 . TRP A 1 231 ? 218.013 -32.092 110.244 1.00 55.59 ? 259 TRP A CZ3 1 ATOM 1686 C CH2 . TRP A 1 231 ? 217.175 -32.624 111.231 1.00 64.25 ? 259 TRP A CH2 1 ATOM 1687 N N . ARG A 1 232 ? 218.739 -31.985 105.617 1.00 44.88 ? 260 ARG A N 1 ATOM 1688 C CA . ARG A 1 232 ? 218.621 -30.568 105.948 1.00 45.08 ? 260 ARG A CA 1 ATOM 1689 C C . ARG A 1 232 ? 217.653 -29.864 105.001 1.00 37.63 ? 260 ARG A C 1 ATOM 1690 O O . ARG A 1 232 ? 216.816 -29.065 105.444 1.00 39.71 ? 260 ARG A O 1 ATOM 1691 C CB . ARG A 1 232 ? 219.998 -29.912 105.930 1.00 59.58 ? 260 ARG A CB 1 ATOM 1692 C CG . ARG A 1 232 ? 220.868 -30.342 107.096 1.00 89.30 ? 260 ARG A CG 1 ATOM 1693 C CD . ARG A 1 232 ? 222.149 -29.528 107.179 1.00 113.32 ? 260 ARG A CD 1 ATOM 1694 N NE . ARG A 1 232 ? 222.753 -29.598 108.506 1.00 128.49 ? 260 ARG A NE 1 ATOM 1695 C CZ . ARG A 1 232 ? 223.508 -30.605 108.931 1.00 136.02 ? 260 ARG A CZ 1 ATOM 1696 N NH1 . ARG A 1 232 ? 223.752 -31.639 108.136 1.00 120.19 ? 260 ARG A NH1 1 ATOM 1697 N NH2 . ARG A 1 232 ? 224.016 -30.579 110.156 1.00 152.28 ? 260 ARG A NH2 1 ATOM 1698 N N . GLU A 1 233 ? 217.731 -30.168 103.700 1.00 40.15 ? 261 GLU A N 1 ATOM 1699 C CA . GLU A 1 233 ? 216.765 -29.609 102.758 1.00 35.93 ? 261 GLU A CA 1 ATOM 1700 C C . GLU A 1 233 ? 215.355 -30.068 103.095 1.00 35.62 ? 261 GLU A C 1 ATOM 1701 O O . GLU A 1 233 ? 214.399 -29.279 103.029 1.00 35.92 ? 261 GLU A O 1 ATOM 1702 C CB . GLU A 1 233 ? 217.125 -30.008 101.323 1.00 41.62 ? 261 GLU A CB 1 ATOM 1703 C CG . GLU A 1 233 ? 218.490 -29.531 100.871 1.00 49.97 ? 261 GLU A CG 1 ATOM 1704 C CD . GLU A 1 233 ? 218.961 -30.204 99.599 1.00 53.98 ? 261 GLU A CD 1 ATOM 1705 O OE1 . GLU A 1 233 ? 218.772 -31.434 99.450 1.00 52.90 ? 261 GLU A OE1 1 ATOM 1706 O OE2 . GLU A 1 233 ? 219.522 -29.494 98.739 1.00 67.72 ? 261 GLU A OE2 1 ATOM 1707 N N . ALA A 1 234 ? 215.211 -31.348 103.468 1.00 40.05 ? 262 ALA A N 1 ATOM 1708 C CA . ALA A 1 234 ? 213.907 -31.873 103.849 1.00 31.48 ? 262 ALA A CA 1 ATOM 1709 C C . ALA A 1 234 ? 213.394 -31.187 105.110 1.00 36.80 ? 262 ALA A C 1 ATOM 1710 O O . ALA A 1 234 ? 212.217 -30.810 105.197 1.00 33.11 ? 262 ALA A O 1 ATOM 1711 C CB . ALA A 1 234 ? 214.002 -33.385 104.041 1.00 27.45 ? 262 ALA A CB 1 ATOM 1712 N N . TRP A 1 235 ? 214.270 -31.004 106.094 1.00 31.09 ? 263 TRP A N 1 ATOM 1713 C CA . TRP A 1 235 ? 213.902 -30.208 107.262 1.00 41.34 ? 263 TRP A CA 1 ATOM 1714 C C . TRP A 1 235 ? 213.380 -28.844 106.832 1.00 39.10 ? 263 TRP A C 1 ATOM 1715 O O . TRP A 1 235 ? 212.295 -28.420 107.250 1.00 37.10 ? 263 TRP A O 1 ATOM 1716 C CB . TRP A 1 235 ? 215.090 -30.050 108.214 1.00 52.58 ? 263 TRP A CB 1 ATOM 1717 C CG . TRP A 1 235 ? 214.681 -29.369 109.483 1.00 61.81 ? 263 TRP A CG 1 ATOM 1718 C CD1 . TRP A 1 235 ? 214.221 -29.964 110.615 1.00 61.13 ? 263 TRP A CD1 1 ATOM 1719 C CD2 . TRP A 1 235 ? 214.643 -27.958 109.728 1.00 65.86 ? 263 TRP A CD2 1 ATOM 1720 N NE1 . TRP A 1 235 ? 213.906 -29.018 111.549 1.00 67.28 ? 263 TRP A NE1 1 ATOM 1721 C CE2 . TRP A 1 235 ? 214.159 -27.777 111.033 1.00 71.62 ? 263 TRP A CE2 1 ATOM 1722 C CE3 . TRP A 1 235 ? 214.976 -26.830 108.968 1.00 75.33 ? 263 TRP A CE3 1 ATOM 1723 C CZ2 . TRP A 1 235 ? 214.008 -26.514 111.607 1.00 86.89 ? 263 TRP A CZ2 1 ATOM 1724 C CZ3 . TRP A 1 235 ? 214.824 -25.575 109.540 1.00 88.20 ? 263 TRP A CZ3 1 ATOM 1725 C CH2 . TRP A 1 235 ? 214.344 -25.429 110.847 1.00 93.16 ? 263 TRP A CH2 1 ATOM 1726 N N . ALA A 1 236 ? 214.124 -28.163 105.958 1.00 41.59 ? 264 ALA A N 1 ATOM 1727 C CA . ALA A 1 236 ? 213.706 -26.834 105.525 1.00 42.66 ? 264 ALA A CA 1 ATOM 1728 C C . ALA A 1 236 ? 212.393 -26.893 104.749 1.00 37.16 ? 264 ALA A C 1 ATOM 1729 O O . ALA A 1 236 ? 211.513 -26.041 104.938 1.00 36.66 ? 264 ALA A O 1 ATOM 1730 C CB . ALA A 1 236 ? 214.808 -26.188 104.694 1.00 33.77 ? 264 ALA A CB 1 ATOM 1731 N N . SER A 1 237 ? 212.229 -27.907 103.895 1.00 43.98 ? 265 SER A N 1 ATOM 1732 C CA . SER A 1 237 ? 210.986 -28.045 103.140 1.00 32.64 ? 265 SER A CA 1 ATOM 1733 C C . SER A 1 237 ? 209.779 -28.142 104.065 1.00 35.13 ? 265 SER A C 1 ATOM 1734 O O . SER A 1 237 ? 208.775 -27.437 103.875 1.00 33.91 ? 265 SER A O 1 ATOM 1735 C CB . SER A 1 237 ? 211.062 -29.264 102.226 1.00 24.36 ? 265 SER A CB 1 ATOM 1736 O OG . SER A 1 237 ? 209.834 -29.461 101.548 1.00 21.28 ? 265 SER A OG 1 ATOM 1737 N N . CYS A 1 238 ? 209.870 -28.991 105.096 1.00 27.92 ? 266 CYS A N 1 ATOM 1738 C CA . CYS A 1 238 ? 208.783 -29.076 106.068 1.00 31.68 ? 266 CYS A CA 1 ATOM 1739 C C . CYS A 1 238 ? 208.626 -27.762 106.825 1.00 40.62 ? 266 CYS A C 1 ATOM 1740 O O . CYS A 1 238 ? 207.507 -27.336 107.128 1.00 50.27 ? 266 CYS A O 1 ATOM 1741 C CB . CYS A 1 238 ? 209.018 -30.241 107.042 1.00 24.49 ? 266 CYS A CB 1 ATOM 1742 S SG . CYS A 1 238 ? 209.103 -31.914 106.313 1.00 31.52 ? 266 CYS A SG 1 ATOM 1743 N N . GLU A 1 239 ? 209.739 -27.100 107.129 1.00 36.79 ? 267 GLU A N 1 ATOM 1744 C CA . GLU A 1 239 ? 209.673 -25.818 107.825 1.00 42.54 ? 267 GLU A CA 1 ATOM 1745 C C . GLU A 1 239 ? 208.900 -24.782 107.000 1.00 38.76 ? 267 GLU A C 1 ATOM 1746 O O . GLU A 1 239 ? 208.036 -24.073 107.535 1.00 37.26 ? 267 GLU A O 1 ATOM 1747 C CB . GLU A 1 239 ? 211.093 -25.346 108.151 1.00 50.02 ? 267 GLU A CB 1 ATOM 1748 C CG . GLU A 1 239 ? 211.172 -24.211 109.150 1.00 77.03 ? 267 GLU A CG 1 ATOM 1749 C CD . GLU A 1 239 ? 210.933 -22.847 108.522 1.00 84.94 ? 267 GLU A CD 1 ATOM 1750 O OE1 . GLU A 1 239 ? 211.184 -22.692 107.306 1.00 77.25 ? 267 GLU A OE1 1 ATOM 1751 O OE2 . GLU A 1 239 ? 210.490 -21.929 109.248 1.00 98.91 ? 267 GLU A OE2 1 ATOM 1752 N N . GLN A 1 240 ? 209.154 -24.723 105.684 1.00 37.05 ? 268 GLN A N 1 ATOM 1753 C CA . GLN A 1 240 ? 208.485 -23.755 104.821 1.00 32.00 ? 268 GLN A CA 1 ATOM 1754 C C . GLN A 1 240 ? 206.993 -24.017 104.666 1.00 35.29 ? 268 GLN A C 1 ATOM 1755 O O . GLN A 1 240 ? 206.279 -23.149 104.151 1.00 40.14 ? 268 GLN A O 1 ATOM 1756 C CB . GLN A 1 240 ? 209.133 -23.752 103.441 1.00 38.83 ? 268 GLN A CB 1 ATOM 1757 C CG . GLN A 1 240 ? 210.597 -23.329 103.450 1.00 45.27 ? 268 GLN A CG 1 ATOM 1758 C CD . GLN A 1 240 ? 211.347 -23.866 102.256 1.00 43.67 ? 268 GLN A CD 1 ATOM 1759 O OE1 . GLN A 1 240 ? 210.783 -24.610 101.436 1.00 29.69 ? 268 GLN A OE1 1 ATOM 1760 N NE2 . GLN A 1 240 ? 212.621 -23.502 102.138 1.00 41.01 ? 268 GLN A NE2 1 ATOM 1761 N N . GLN A 1 241 ? 206.511 -25.202 105.035 1.00 46.31 ? 269 GLN A N 1 ATOM 1762 C CA . GLN A 1 241 ? 205.085 -25.514 105.025 1.00 43.03 ? 269 GLN A CA 1 ATOM 1763 C C . GLN A 1 241 ? 204.448 -25.349 106.400 1.00 51.98 ? 269 GLN A C 1 ATOM 1764 O O . GLN A 1 241 ? 203.308 -25.778 106.606 1.00 45.30 ? 269 GLN A O 1 ATOM 1765 C CB . GLN A 1 241 ? 204.844 -26.925 104.489 1.00 24.91 ? 269 GLN A CB 1 ATOM 1766 C CG . GLN A 1 241 ? 205.538 -27.212 103.153 1.00 26.23 ? 269 GLN A CG 1 ATOM 1767 C CD . GLN A 1 241 ? 205.216 -28.599 102.637 1.00 24.29 ? 269 GLN A CD 1 ATOM 1768 O OE1 . GLN A 1 241 ? 204.150 -28.831 102.052 1.00 25.75 ? 269 GLN A OE1 1 ATOM 1769 N NE2 . GLN A 1 241 ? 206.127 -29.544 102.873 1.00 25.87 ? 269 GLN A NE2 1 ATOM 1770 N N . GLY A 1 242 ? 205.187 -24.798 107.356 1.00 34.50 ? 270 GLY A N 1 ATOM 1771 C CA . GLY A 1 242 ? 204.660 -24.558 108.679 1.00 47.06 ? 270 GLY A CA 1 ATOM 1772 C C . GLY A 1 242 ? 204.561 -25.859 109.425 1.00 46.91 ? 270 GLY A C 1 ATOM 1773 O O . GLY A 1 242 ? 203.627 -26.049 110.207 1.00 48.94 ? 270 GLY A O 1 ATOM 1774 N N . ALA A 1 243 ? 205.504 -26.764 109.178 1.00 43.21 ? 271 ALA A N 1 ATOM 1775 C CA . ALA A 1 243 ? 205.453 -28.132 109.650 1.00 37.31 ? 271 ALA A CA 1 ATOM 1776 C C . ALA A 1 243 ? 206.858 -28.520 110.088 1.00 39.66 ? 271 ALA A C 1 ATOM 1777 O O . ALA A 1 243 ? 207.768 -27.689 110.124 1.00 50.94 ? 271 ALA A O 1 ATOM 1778 C CB . ALA A 1 243 ? 204.885 -29.040 108.553 1.00 30.57 ? 271 ALA A CB 1 ATOM 1779 N N . ASP A 1 244 ? 207.039 -29.788 110.441 1.00 34.84 ? 272 ASP A N 1 ATOM 1780 C CA . ASP A 1 244 ? 208.347 -30.293 110.838 1.00 39.73 ? 272 ASP A CA 1 ATOM 1781 C C . ASP A 1 244 ? 208.483 -31.701 110.289 1.00 33.84 ? 272 ASP A C 1 ATOM 1782 O O . ASP A 1 244 ? 207.493 -32.332 109.900 1.00 26.38 ? 272 ASP A O 1 ATOM 1783 C CB . ASP A 1 244 ? 208.522 -30.285 112.368 1.00 54.36 ? 272 ASP A CB 1 ATOM 1784 C CG . ASP A 1 244 ? 209.973 -30.074 112.810 1.00 64.29 ? 272 ASP A CG 1 ATOM 1785 O OD1 . ASP A 1 244 ? 210.902 -30.597 112.162 1.00 50.99 ? 272 ASP A OD1 1 ATOM 1786 O OD2 . ASP A 1 244 ? 210.183 -29.374 113.827 1.00 77.56 ? 272 ASP A OD2 1 ATOM 1787 N N . LEU A 1 245 ? 209.719 -32.185 110.226 1.00 39.74 ? 273 LEU A N 1 ATOM 1788 C CA . LEU A 1 245 ? 209.932 -33.561 109.815 1.00 36.81 ? 273 LEU A CA 1 ATOM 1789 C C . LEU A 1 245 ? 209.194 -34.486 110.772 1.00 38.26 ? 273 LEU A C 1 ATOM 1790 O O . LEU A 1 245 ? 209.000 -34.161 111.945 1.00 39.00 ? 273 LEU A O 1 ATOM 1791 C CB . LEU A 1 245 ? 211.422 -33.889 109.786 1.00 38.67 ? 273 LEU A CB 1 ATOM 1792 C CG . LEU A 1 245 ? 212.143 -33.474 108.509 1.00 39.65 ? 273 LEU A CG 1 ATOM 1793 C CD1 . LEU A 1 245 ? 213.660 -33.545 108.710 1.00 44.65 ? 273 LEU A CD1 1 ATOM 1794 C CD2 . LEU A 1 245 ? 211.692 -34.361 107.346 1.00 25.34 ? 273 LEU A CD2 1 ATOM 1795 N N . LEU A 1 246 ? 208.731 -35.622 110.241 1.00 37.75 ? 274 LEU A N 1 ATOM 1796 C CA . LEU A 1 246 ? 207.942 -36.559 111.035 1.00 36.99 ? 274 LEU A CA 1 ATOM 1797 C C . LEU A 1 246 ? 208.660 -36.927 112.319 1.00 43.48 ? 274 LEU A C 1 ATOM 1798 O O . LEU A 1 246 ? 209.859 -37.212 112.320 1.00 50.41 ? 274 LEU A O 1 ATOM 1799 C CB . LEU A 1 246 ? 207.650 -37.831 110.238 1.00 26.42 ? 274 LEU A CB 1 ATOM 1800 C CG . LEU A 1 246 ? 207.066 -39.057 110.951 1.00 27.54 ? 274 LEU A CG 1 ATOM 1801 C CD1 . LEU A 1 246 ? 205.636 -38.822 111.336 1.00 23.79 ? 274 LEU A CD1 1 ATOM 1802 C CD2 . LEU A 1 246 ? 207.150 -40.293 110.040 1.00 22.48 ? 274 LEU A CD2 1 ATOM 1803 N N . SER A 1 247 ? 207.916 -36.892 113.415 1.00 28.25 ? 275 SER A N 1 ATOM 1804 C CA . SER A 1 247 ? 208.338 -37.487 114.674 1.00 38.86 ? 275 SER A CA 1 ATOM 1805 C C . SER A 1 247 ? 207.373 -38.615 115.014 1.00 40.41 ? 275 SER A C 1 ATOM 1806 O O . SER A 1 247 ? 206.160 -38.483 114.831 1.00 31.87 ? 275 SER A O 1 ATOM 1807 C CB . SER A 1 247 ? 208.392 -36.442 115.809 1.00 46.94 ? 275 SER A CB 1 ATOM 1808 O OG . SER A 1 247 ? 207.103 -35.968 116.149 1.00 46.37 ? 275 SER A OG 1 ATOM 1809 N N . ILE A 1 248 ? 207.901 -39.746 115.455 1.00 41.66 ? 276 ILE A N 1 ATOM 1810 C CA . ILE A 1 248 ? 207.047 -40.870 115.812 1.00 37.00 ? 276 ILE A CA 1 ATOM 1811 C C . ILE A 1 248 ? 207.158 -41.017 117.318 1.00 49.09 ? 276 ILE A C 1 ATOM 1812 O O . ILE A 1 248 ? 208.119 -41.597 117.834 1.00 57.03 ? 276 ILE A O 1 ATOM 1813 C CB . ILE A 1 248 ? 207.452 -42.153 115.072 1.00 32.35 ? 276 ILE A CB 1 ATOM 1814 C CG1 . ILE A 1 248 ? 207.521 -41.887 113.581 1.00 30.19 ? 276 ILE A CG1 1 ATOM 1815 C CG2 . ILE A 1 248 ? 206.475 -43.277 115.366 1.00 31.44 ? 276 ILE A CG2 1 ATOM 1816 C CD1 . ILE A 1 248 ? 208.151 -43.047 112.773 1.00 36.45 ? 276 ILE A CD1 1 ATOM 1817 N N . THR A 1 249 ? 206.148 -40.508 118.016 1.00 38.13 ? 277 THR A N 1 ATOM 1818 C CA . THR A 1 249 ? 206.192 -40.332 119.467 1.00 48.84 ? 277 THR A CA 1 ATOM 1819 C C . THR A 1 249 ? 205.505 -41.446 120.235 1.00 59.23 ? 277 THR A C 1 ATOM 1820 O O . THR A 1 249 ? 205.675 -41.529 121.454 1.00 73.68 ? 277 THR A O 1 ATOM 1821 C CB . THR A 1 249 ? 205.545 -38.993 119.861 1.00 50.86 ? 277 THR A CB 1 ATOM 1822 O OG1 . THR A 1 249 ? 204.120 -39.111 119.790 1.00 54.14 ? 277 THR A OG1 1 ATOM 1823 C CG2 . THR A 1 249 ? 205.969 -37.887 118.915 1.00 41.30 ? 277 THR A CG2 1 ATOM 1824 N N . GLU A 1 250 ? 204.746 -42.298 119.557 1.00 55.38 ? 278 GLU A N 1 ATOM 1825 C CA . GLU A 1 250 ? 203.781 -43.155 120.229 1.00 58.87 ? 278 GLU A CA 1 ATOM 1826 C C . GLU A 1 250 ? 203.540 -44.372 119.353 1.00 48.93 ? 278 GLU A C 1 ATOM 1827 O O . GLU A 1 250 ? 203.586 -44.271 118.131 1.00 39.12 ? 278 GLU A O 1 ATOM 1828 C CB . GLU A 1 250 ? 202.475 -42.392 120.460 1.00 60.03 ? 278 GLU A CB 1 ATOM 1829 C CG . GLU A 1 250 ? 201.877 -42.530 121.818 1.00 81.75 ? 278 GLU A CG 1 ATOM 1830 C CD . GLU A 1 250 ? 200.650 -41.669 121.946 1.00 95.72 ? 278 GLU A CD 1 ATOM 1831 O OE1 . GLU A 1 250 ? 200.225 -41.116 120.906 1.00 85.15 ? 278 GLU A OE1 1 ATOM 1832 O OE2 . GLU A 1 250 ? 200.119 -41.538 123.070 1.00 109.98 ? 278 GLU A OE2 1 ATOM 1833 N N . ILE A 1 251 ? 203.262 -45.514 119.978 1.00 52.60 ? 279 ILE A N 1 ATOM 1834 C CA . ILE A 1 251 ? 202.943 -46.711 119.202 1.00 53.54 ? 279 ILE A CA 1 ATOM 1835 C C . ILE A 1 251 ? 201.738 -46.462 118.295 1.00 49.87 ? 279 ILE A C 1 ATOM 1836 O O . ILE A 1 251 ? 201.670 -46.989 117.180 1.00 42.37 ? 279 ILE A O 1 ATOM 1837 C CB . ILE A 1 251 ? 202.728 -47.915 120.145 1.00 51.72 ? 279 ILE A CB 1 ATOM 1838 C CG1 . ILE A 1 251 ? 202.522 -49.196 119.340 1.00 53.42 ? 279 ILE A CG1 1 ATOM 1839 C CG2 . ILE A 1 251 ? 201.586 -47.669 121.113 1.00 51.82 ? 279 ILE A CG2 1 ATOM 1840 C CD1 . ILE A 1 251 ? 203.797 -49.974 119.139 1.00 58.71 ? 279 ILE A CD1 1 ATOM 1841 N N . HIS A 1 252 ? 200.795 -45.628 118.738 1.00 59.93 ? 280 HIS A N 1 ATOM 1842 C CA . HIS A 1 252 ? 199.683 -45.219 117.886 1.00 51.89 ? 280 HIS A CA 1 ATOM 1843 C C . HIS A 1 252 ? 200.190 -44.606 116.581 1.00 53.57 ? 280 HIS A C 1 ATOM 1844 O O . HIS A 1 252 ? 199.738 -44.957 115.483 1.00 46.25 ? 280 HIS A O 1 ATOM 1845 C CB . HIS A 1 252 ? 198.806 -44.212 118.640 1.00 51.39 ? 280 HIS A CB 1 ATOM 1846 C CG . HIS A 1 252 ? 197.902 -43.438 117.743 1.00 56.63 ? 280 HIS A CG 1 ATOM 1847 N ND1 . HIS A 1 252 ? 196.628 -43.856 117.436 1.00 69.47 ? 280 HIS A ND1 1 ATOM 1848 C CD2 . HIS A 1 252 ? 198.110 -42.306 117.030 1.00 56.93 ? 280 HIS A CD2 1 ATOM 1849 C CE1 . HIS A 1 252 ? 196.079 -43.000 116.592 1.00 65.78 ? 280 HIS A CE1 1 ATOM 1850 N NE2 . HIS A 1 252 ? 196.959 -42.051 116.327 1.00 58.28 ? 280 HIS A NE2 1 ATOM 1851 N N . GLU A 1 253 ? 201.130 -43.671 116.692 1.00 68.30 ? 281 GLU A N 1 ATOM 1852 C CA . GLU A 1 253 ? 201.656 -43.002 115.513 1.00 47.78 ? 281 GLU A CA 1 ATOM 1853 C C . GLU A 1 253 ? 202.366 -43.985 114.587 1.00 34.51 ? 281 GLU A C 1 ATOM 1854 O O . GLU A 1 253 ? 202.155 -43.969 113.368 1.00 33.59 ? 281 GLU A O 1 ATOM 1855 C CB . GLU A 1 253 ? 202.593 -41.881 115.946 1.00 49.48 ? 281 GLU A CB 1 ATOM 1856 C CG . GLU A 1 253 ? 202.902 -40.896 114.856 1.00 49.63 ? 281 GLU A CG 1 ATOM 1857 C CD . GLU A 1 253 ? 203.425 -39.592 115.408 1.00 57.88 ? 281 GLU A CD 1 ATOM 1858 O OE1 . GLU A 1 253 ? 204.025 -39.601 116.511 1.00 65.66 ? 281 GLU A OE1 1 ATOM 1859 O OE2 . GLU A 1 253 ? 203.218 -38.558 114.739 1.00 51.40 ? 281 GLU A OE2 1 ATOM 1860 N N . GLN A 1 254 ? 203.220 -44.850 115.141 1.00 39.91 ? 282 GLN A N 1 ATOM 1861 C CA . GLN A 1 254 ? 203.900 -45.830 114.300 1.00 36.43 ? 282 GLN A CA 1 ATOM 1862 C C . GLN A 1 254 ? 202.897 -46.765 113.639 1.00 47.19 ? 282 GLN A C 1 ATOM 1863 O O . GLN A 1 254 ? 203.150 -47.282 112.544 1.00 49.63 ? 282 GLN A O 1 ATOM 1864 C CB . GLN A 1 254 ? 204.913 -46.627 115.129 1.00 39.19 ? 282 GLN A CB 1 ATOM 1865 C CG . GLN A 1 254 ? 205.688 -47.702 114.357 1.00 30.70 ? 282 GLN A CG 1 ATOM 1866 C CD . GLN A 1 254 ? 206.782 -47.110 113.457 1.00 38.23 ? 282 GLN A CD 1 ATOM 1867 O OE1 . GLN A 1 254 ? 207.598 -46.285 113.898 1.00 40.59 ? 282 GLN A OE1 1 ATOM 1868 N NE2 . GLN A 1 254 ? 206.799 -47.531 112.193 1.00 33.83 ? 282 GLN A NE2 1 ATOM 1869 N N . THR A 1 255 ? 201.749 -46.978 114.295 1.00 50.07 ? 283 THR A N 1 ATOM 1870 C CA . THR A 1 255 ? 200.710 -47.856 113.770 1.00 48.88 ? 283 THR A CA 1 ATOM 1871 C C . THR A 1 255 ? 200.037 -47.233 112.555 1.00 38.44 ? 283 THR A C 1 ATOM 1872 O O . THR A 1 255 ? 199.935 -47.864 111.496 1.00 40.03 ? 283 THR A O 1 ATOM 1873 C CB . THR A 1 255 ? 199.689 -48.148 114.875 1.00 59.61 ? 283 THR A CB 1 ATOM 1874 O OG1 . THR A 1 255 ? 200.347 -48.808 115.954 1.00 68.88 ? 283 THR A OG1 1 ATOM 1875 C CG2 . THR A 1 255 ? 198.586 -49.027 114.380 1.00 60.41 ? 283 THR A CG2 1 ATOM 1876 N N . TYR A 1 256 ? 199.581 -45.988 112.693 1.00 48.36 ? 284 TYR A N 1 ATOM 1877 C CA . TYR A 1 256 ? 199.063 -45.245 111.551 1.00 46.25 ? 284 TYR A CA 1 ATOM 1878 C C . TYR A 1 256 ? 200.062 -45.232 110.399 1.00 45.14 ? 284 TYR A C 1 ATOM 1879 O O . TYR A 1 256 ? 199.717 -45.572 109.260 1.00 43.00 ? 284 TYR A O 1 ATOM 1880 C CB . TYR A 1 256 ? 198.715 -43.820 111.974 1.00 49.79 ? 284 TYR A CB 1 ATOM 1881 C CG . TYR A 1 256 ? 198.156 -42.977 110.854 1.00 56.48 ? 284 TYR A CG 1 ATOM 1882 C CD1 . TYR A 1 256 ? 196.799 -42.999 110.560 1.00 56.23 ? 284 TYR A CD1 1 ATOM 1883 C CD2 . TYR A 1 256 ? 198.985 -42.151 110.095 1.00 54.98 ? 284 TYR A CD2 1 ATOM 1884 C CE1 . TYR A 1 256 ? 196.279 -42.236 109.551 1.00 49.23 ? 284 TYR A CE1 1 ATOM 1885 C CE2 . TYR A 1 256 ? 198.476 -41.381 109.068 1.00 48.84 ? 284 TYR A CE2 1 ATOM 1886 C CZ . TYR A 1 256 ? 197.120 -41.428 108.800 1.00 50.25 ? 284 TYR A CZ 1 ATOM 1887 O OH . TYR A 1 256 ? 196.599 -40.671 107.781 1.00 52.65 ? 284 TYR A OH 1 ATOM 1888 N N . ILE A 1 257 ? 201.315 -44.860 110.684 1.00 52.81 ? 285 ILE A N 1 ATOM 1889 C CA . ILE A 1 257 ? 202.334 -44.802 109.636 1.00 39.18 ? 285 ILE A CA 1 ATOM 1890 C C . ILE A 1 257 ? 202.456 -46.153 108.943 1.00 40.82 ? 285 ILE A C 1 ATOM 1891 O O . ILE A 1 257 ? 202.534 -46.235 107.711 1.00 44.04 ? 285 ILE A O 1 ATOM 1892 C CB . ILE A 1 257 ? 203.692 -44.366 110.213 1.00 35.90 ? 285 ILE A CB 1 ATOM 1893 C CG1 . ILE A 1 257 ? 203.629 -42.999 110.934 1.00 45.97 ? 285 ILE A CG1 1 ATOM 1894 C CG2 . ILE A 1 257 ? 204.742 -44.396 109.142 1.00 29.59 ? 285 ILE A CG2 1 ATOM 1895 C CD1 . ILE A 1 257 ? 202.803 -41.962 110.260 1.00 41.61 ? 285 ILE A CD1 1 ATOM 1896 N N . ASN A 1 258 ? 202.493 -47.232 109.728 1.00 42.42 ? 286 ASN A N 1 ATOM 1897 C CA . ASN A 1 258 ? 202.636 -48.562 109.147 1.00 46.01 ? 286 ASN A CA 1 ATOM 1898 C C . ASN A 1 258 ? 201.438 -48.903 108.267 1.00 48.15 ? 286 ASN A C 1 ATOM 1899 O O . ASN A 1 258 ? 201.604 -49.413 107.153 1.00 42.08 ? 286 ASN A O 1 ATOM 1900 C CB . ASN A 1 258 ? 202.833 -49.610 110.253 1.00 48.48 ? 286 ASN A CB 1 ATOM 1901 C CG . ASN A 1 258 ? 204.279 -49.675 110.746 1.00 51.51 ? 286 ASN A CG 1 ATOM 1902 O OD1 . ASN A 1 258 ? 205.164 -49.021 110.182 1.00 55.02 ? 286 ASN A OD1 1 ATOM 1903 N ND2 . ASN A 1 258 ? 204.529 -50.474 111.788 1.00 47.30 ? 286 ASN A ND2 1 ATOM 1904 N N . GLY A 1 259 ? 200.227 -48.601 108.734 1.00 52.68 ? 287 GLY A N 1 ATOM 1905 C CA . GLY A 1 259 ? 199.060 -48.776 107.884 1.00 54.79 ? 287 GLY A CA 1 ATOM 1906 C C . GLY A 1 259 ? 199.177 -48.012 106.579 1.00 51.92 ? 287 GLY A C 1 ATOM 1907 O O . GLY A 1 259 ? 199.045 -48.584 105.492 1.00 50.21 ? 287 GLY A O 1 ATOM 1908 N N . LEU A 1 260 ? 199.456 -46.712 106.668 1.00 61.74 ? 288 LEU A N 1 ATOM 1909 C CA . LEU A 1 260 ? 199.571 -45.904 105.463 1.00 45.48 ? 288 LEU A CA 1 ATOM 1910 C C . LEU A 1 260 ? 200.677 -46.404 104.546 1.00 38.13 ? 288 LEU A C 1 ATOM 1911 O O . LEU A 1 260 ? 200.554 -46.302 103.321 1.00 38.72 ? 288 LEU A O 1 ATOM 1912 C CB . LEU A 1 260 ? 199.805 -44.439 105.846 1.00 47.47 ? 288 LEU A CB 1 ATOM 1913 C CG . LEU A 1 260 ? 199.996 -43.368 104.769 1.00 42.92 ? 288 LEU A CG 1 ATOM 1914 C CD1 . LEU A 1 260 ? 199.685 -41.988 105.358 1.00 39.28 ? 288 LEU A CD1 1 ATOM 1915 C CD2 . LEU A 1 260 ? 201.424 -43.395 104.156 1.00 36.79 ? 288 LEU A CD2 1 ATOM 1916 N N . LEU A 1 261 ? 201.769 -46.929 105.100 1.00 41.66 ? 289 LEU A N 1 ATOM 1917 C CA . LEU A 1 261 ? 202.896 -47.321 104.255 1.00 39.37 ? 289 LEU A CA 1 ATOM 1918 C C . LEU A 1 261 ? 202.743 -48.711 103.652 1.00 56.84 ? 289 LEU A C 1 ATOM 1919 O O . LEU A 1 261 ? 203.620 -49.141 102.888 1.00 54.85 ? 289 LEU A O 1 ATOM 1920 C CB . LEU A 1 261 ? 204.199 -47.264 105.049 1.00 30.74 ? 289 LEU A CB 1 ATOM 1921 C CG . LEU A 1 261 ? 204.934 -45.933 105.165 1.00 35.90 ? 289 LEU A CG 1 ATOM 1922 C CD1 . LEU A 1 261 ? 206.073 -46.096 106.169 1.00 40.81 ? 289 LEU A CD1 1 ATOM 1923 C CD2 . LEU A 1 261 ? 205.471 -45.443 103.797 1.00 23.31 ? 289 LEU A CD2 1 ATOM 1924 N N . THR A 1 262 ? 201.683 -49.440 103.999 1.00 51.41 ? 290 THR A N 1 ATOM 1925 C CA . THR A 1 262 ? 201.508 -50.777 103.458 1.00 61.33 ? 290 THR A CA 1 ATOM 1926 C C . THR A 1 262 ? 201.224 -50.668 101.966 1.00 51.29 ? 290 THR A C 1 ATOM 1927 O O . THR A 1 262 ? 200.375 -49.877 101.535 1.00 42.17 ? 290 THR A O 1 ATOM 1928 C CB . THR A 1 262 ? 200.386 -51.513 104.188 1.00 77.60 ? 290 THR A CB 1 ATOM 1929 O OG1 . THR A 1 262 ? 199.369 -50.579 104.565 1.00 85.37 ? 290 THR A OG1 1 ATOM 1930 C CG2 . THR A 1 262 ? 200.922 -52.201 105.445 1.00 83.74 ? 290 THR A CG2 1 ATOM 1931 N N . GLY A 1 263 ? 201.981 -51.417 101.174 1.00 52.59 ? 291 GLY A N 1 ATOM 1932 C CA . GLY A 1 263 ? 201.839 -51.359 99.752 1.00 50.44 ? 291 GLY A CA 1 ATOM 1933 C C . GLY A 1 263 ? 202.752 -50.377 99.068 1.00 48.25 ? 291 GLY A C 1 ATOM 1934 O O . GLY A 1 263 ? 202.801 -50.374 97.836 1.00 45.15 ? 291 GLY A O 1 ATOM 1935 N N . TYR A 1 264 ? 203.471 -49.536 99.806 1.00 55.65 ? 292 TYR A N 1 ATOM 1936 C CA . TYR A 1 264 ? 204.501 -48.739 99.167 1.00 45.05 ? 292 TYR A CA 1 ATOM 1937 C C . TYR A 1 264 ? 205.851 -49.396 99.387 1.00 37.22 ? 292 TYR A C 1 ATOM 1938 O O . TYR A 1 264 ? 206.011 -50.282 100.222 1.00 47.66 ? 292 TYR A O 1 ATOM 1939 C CB . TYR A 1 264 ? 204.522 -47.304 99.717 1.00 39.19 ? 292 TYR A CB 1 ATOM 1940 C CG . TYR A 1 264 ? 203.260 -46.489 99.508 1.00 32.25 ? 292 TYR A CG 1 ATOM 1941 C CD1 . TYR A 1 264 ? 203.124 -45.630 98.418 1.00 38.55 ? 292 TYR A CD1 1 ATOM 1942 C CD2 . TYR A 1 264 ? 202.241 -46.523 100.434 1.00 42.08 ? 292 TYR A CD2 1 ATOM 1943 C CE1 . TYR A 1 264 ? 201.960 -44.852 98.241 1.00 42.05 ? 292 TYR A CE1 1 ATOM 1944 C CE2 . TYR A 1 264 ? 201.087 -45.770 100.272 1.00 48.96 ? 292 TYR A CE2 1 ATOM 1945 C CZ . TYR A 1 264 ? 200.939 -44.938 99.175 1.00 48.02 ? 292 TYR A CZ 1 ATOM 1946 O OH . TYR A 1 264 ? 199.759 -44.204 99.054 1.00 42.36 ? 292 TYR A OH 1 ATOM 1947 N N . SER A 1 265 ? 206.850 -48.894 98.672 1.00 36.60 ? 293 SER A N 1 ATOM 1948 C CA . SER A 1 265 ? 208.230 -49.331 98.835 1.00 36.80 ? 293 SER A CA 1 ATOM 1949 C C . SER A 1 265 ? 209.070 -48.065 98.822 1.00 40.78 ? 293 SER A C 1 ATOM 1950 O O . SER A 1 265 ? 209.190 -47.416 97.778 1.00 45.31 ? 293 SER A O 1 ATOM 1951 C CB . SER A 1 265 ? 208.624 -50.301 97.707 1.00 49.06 ? 293 SER A CB 1 ATOM 1952 O OG . SER A 1 265 ? 210.013 -50.617 97.697 1.00 53.86 ? 293 SER A OG 1 ATOM 1953 N N . SER A 1 266 ? 209.635 -47.698 99.968 1.00 45.99 ? 294 SER A N 1 ATOM 1954 C CA . SER A 1 266 ? 210.265 -46.388 100.073 1.00 35.98 ? 294 SER A CA 1 ATOM 1955 C C . SER A 1 266 ? 211.153 -46.345 101.302 1.00 35.03 ? 294 SER A C 1 ATOM 1956 O O . SER A 1 266 ? 210.963 -47.105 102.251 1.00 41.74 ? 294 SER A O 1 ATOM 1957 C CB . SER A 1 266 ? 209.210 -45.278 100.136 1.00 30.31 ? 294 SER A CB 1 ATOM 1958 O OG . SER A 1 266 ? 209.806 -43.999 100.119 1.00 32.82 ? 294 SER A OG 1 ATOM 1959 N N . THR A 1 267 ? 212.084 -45.396 101.298 1.00 31.48 ? 295 THR A N 1 ATOM 1960 C CA . THR A 1 267 ? 212.934 -45.102 102.449 1.00 39.17 ? 295 THR A CA 1 ATOM 1961 C C . THR A 1 267 ? 212.936 -43.592 102.644 1.00 31.14 ? 295 THR A C 1 ATOM 1962 O O . THR A 1 267 ? 213.454 -42.867 101.790 1.00 38.38 ? 295 THR A O 1 ATOM 1963 C CB . THR A 1 267 ? 214.356 -45.627 102.217 1.00 32.12 ? 295 THR A CB 1 ATOM 1964 O OG1 . THR A 1 267 ? 214.306 -47.041 102.023 1.00 54.35 ? 295 THR A OG1 1 ATOM 1965 C CG2 . THR A 1 267 ? 215.271 -45.290 103.395 1.00 31.23 ? 295 THR A CG2 1 ATOM 1966 N N . LEU A 1 268 ? 212.396 -43.104 103.763 1.00 41.99 ? 296 LEU A N 1 ATOM 1967 C CA . LEU A 1 268 ? 212.114 -41.673 103.904 1.00 30.55 ? 296 LEU A CA 1 ATOM 1968 C C . LEU A 1 268 ? 212.766 -41.061 105.127 1.00 39.09 ? 296 LEU A C 1 ATOM 1969 O O . LEU A 1 268 ? 212.748 -41.648 106.210 1.00 44.27 ? 296 LEU A O 1 ATOM 1970 C CB . LEU A 1 268 ? 210.615 -41.390 103.987 1.00 22.86 ? 296 LEU A CB 1 ATOM 1971 C CG . LEU A 1 268 ? 209.727 -41.976 102.885 1.00 21.46 ? 296 LEU A CG 1 ATOM 1972 C CD1 . LEU A 1 268 ? 208.962 -43.170 103.470 1.00 18.80 ? 296 LEU A CD1 1 ATOM 1973 C CD2 . LEU A 1 268 ? 208.773 -40.917 102.304 1.00 16.63 ? 296 LEU A CD2 1 ATOM 1974 N N . TRP A 1 269 ? 213.297 -39.848 104.946 1.00 24.78 ? 297 TRP A N 1 ATOM 1975 C CA . TRP A 1 269 ? 213.817 -39.078 106.074 1.00 24.57 ? 297 TRP A CA 1 ATOM 1976 C C . TRP A 1 269 ? 212.703 -38.799 107.063 1.00 32.01 ? 297 TRP A C 1 ATOM 1977 O O . TRP A 1 269 ? 211.592 -38.414 106.676 1.00 29.23 ? 297 TRP A O 1 ATOM 1978 C CB . TRP A 1 269 ? 214.394 -37.729 105.633 1.00 30.12 ? 297 TRP A CB 1 ATOM 1979 C CG . TRP A 1 269 ? 215.681 -37.750 104.897 1.00 42.29 ? 297 TRP A CG 1 ATOM 1980 C CD1 . TRP A 1 269 ? 215.950 -37.151 103.690 1.00 38.77 ? 297 TRP A CD1 1 ATOM 1981 C CD2 . TRP A 1 269 ? 216.899 -38.375 105.314 1.00 53.66 ? 297 TRP A CD2 1 ATOM 1982 N NE1 . TRP A 1 269 ? 217.254 -37.377 103.334 1.00 50.97 ? 297 TRP A NE1 1 ATOM 1983 C CE2 . TRP A 1 269 ? 217.860 -38.123 104.316 1.00 61.53 ? 297 TRP A CE2 1 ATOM 1984 C CE3 . TRP A 1 269 ? 217.271 -39.119 106.434 1.00 60.55 ? 297 TRP A CE3 1 ATOM 1985 C CZ2 . TRP A 1 269 ? 219.161 -38.595 104.405 1.00 71.33 ? 297 TRP A CZ2 1 ATOM 1986 C CZ3 . TRP A 1 269 ? 218.558 -39.590 106.516 1.00 75.52 ? 297 TRP A CZ3 1 ATOM 1987 C CH2 . TRP A 1 269 ? 219.490 -39.327 105.511 1.00 77.85 ? 297 TRP A CH2 1 ATOM 1988 N N . ILE A 1 270 ? 213.021 -38.958 108.344 1.00 31.08 ? 298 ILE A N 1 ATOM 1989 C CA . ILE A 1 270 ? 212.168 -38.495 109.428 1.00 32.25 ? 298 ILE A CA 1 ATOM 1990 C C . ILE A 1 270 ? 212.985 -37.564 110.324 1.00 49.94 ? 298 ILE A C 1 ATOM 1991 O O . ILE A 1 270 ? 214.162 -37.298 110.046 1.00 48.40 ? 298 ILE A O 1 ATOM 1992 C CB . ILE A 1 270 ? 211.579 -39.689 110.191 1.00 32.07 ? 298 ILE A CB 1 ATOM 1993 C CG1 . ILE A 1 270 ? 212.690 -40.647 110.620 1.00 42.34 ? 298 ILE A CG1 1 ATOM 1994 C CG2 . ILE A 1 270 ? 210.653 -40.447 109.265 1.00 22.33 ? 298 ILE A CG2 1 ATOM 1995 C CD1 . ILE A 1 270 ? 212.198 -41.777 111.459 1.00 46.11 ? 298 ILE A CD1 1 ATOM 1996 N N . GLY A 1 271 ? 212.364 -37.032 111.383 1.00 35.94 ? 299 GLY A N 1 ATOM 1997 C CA . GLY A 1 271 ? 212.970 -35.976 112.174 1.00 35.27 ? 299 GLY A CA 1 ATOM 1998 C C . GLY A 1 271 ? 213.999 -36.423 113.186 1.00 50.69 ? 299 GLY A C 1 ATOM 1999 O O . GLY A 1 271 ? 214.492 -35.604 113.965 1.00 63.19 ? 299 GLY A O 1 ATOM 2000 N N . LEU A 1 272 ? 214.334 -37.710 113.196 1.00 43.92 ? 300 LEU A N 1 ATOM 2001 C CA . LEU A 1 272 ? 215.260 -38.263 114.171 1.00 48.41 ? 300 LEU A CA 1 ATOM 2002 C C . LEU A 1 272 ? 216.693 -37.961 113.745 1.00 56.25 ? 300 LEU A C 1 ATOM 2003 O O . LEU A 1 272 ? 217.046 -38.155 112.576 1.00 43.73 ? 300 LEU A O 1 ATOM 2004 C CB . LEU A 1 272 ? 215.031 -39.765 114.288 1.00 37.43 ? 300 LEU A CB 1 ATOM 2005 C CG . LEU A 1 272 ? 215.651 -40.536 115.449 1.00 53.83 ? 300 LEU A CG 1 ATOM 2006 C CD1 . LEU A 1 272 ? 215.338 -39.886 116.802 1.00 61.76 ? 300 LEU A CD1 1 ATOM 2007 C CD2 . LEU A 1 272 ? 215.124 -41.951 115.404 1.00 42.91 ? 300 LEU A CD2 1 ATOM 2008 N N . ASN A 1 273 ? 217.492 -37.416 114.671 1.00 45.04 ? 301 ASN A N 1 ATOM 2009 C CA . ASN A 1 273 ? 218.903 -37.147 114.405 1.00 54.50 ? 301 ASN A CA 1 ATOM 2010 C C . ASN A 1 273 ? 219.671 -37.038 115.721 1.00 74.45 ? 301 ASN A C 1 ATOM 2011 O O . ASN A 1 273 ? 219.106 -36.671 116.753 1.00 75.28 ? 301 ASN A O 1 ATOM 2012 C CB . ASN A 1 273 ? 219.071 -35.861 113.594 1.00 53.33 ? 301 ASN A CB 1 ATOM 2013 C CG . ASN A 1 273 ? 218.872 -34.614 114.440 1.00 62.91 ? 301 ASN A CG 1 ATOM 2014 O OD1 . ASN A 1 273 ? 219.836 -33.971 114.849 1.00 80.64 ? 301 ASN A OD1 1 ATOM 2015 N ND2 . ASN A 1 273 ? 217.620 -34.284 114.726 1.00 48.95 ? 301 ASN A ND2 1 ATOM 2016 N N . ASP A 1 274 ? 220.964 -37.366 115.675 1.00 55.32 ? 302 ASP A N 1 ATOM 2017 C CA . ASP A 1 274 ? 221.885 -37.141 116.787 1.00 71.63 ? 302 ASP A CA 1 ATOM 2018 C C . ASP A 1 274 ? 222.766 -35.906 116.606 1.00 84.93 ? 302 ASP A C 1 ATOM 2019 O O . ASP A 1 274 ? 223.700 -35.715 117.387 1.00 100.86 ? 302 ASP A O 1 ATOM 2020 C CB . ASP A 1 274 ? 222.753 -38.378 117.048 1.00 74.21 ? 302 ASP A CB 1 ATOM 2021 C CG . ASP A 1 274 ? 223.572 -38.792 115.845 1.00 86.49 ? 302 ASP A CG 1 ATOM 2022 O OD1 . ASP A 1 274 ? 223.610 -38.037 114.853 1.00 84.51 ? 302 ASP A OD1 1 ATOM 2023 O OD2 . ASP A 1 274 ? 224.189 -39.878 115.895 1.00 94.92 ? 302 ASP A OD2 1 ATOM 2024 N N . LEU A 1 275 ? 222.504 -35.088 115.583 1.00 75.58 ? 303 LEU A N 1 ATOM 2025 C CA . LEU A 1 275 ? 223.484 -34.122 115.082 1.00 91.73 ? 303 LEU A CA 1 ATOM 2026 C C . LEU A 1 275 ? 224.114 -33.276 116.190 1.00 114.34 ? 303 LEU A C 1 ATOM 2027 O O . LEU A 1 275 ? 225.343 -33.213 116.307 1.00 125.29 ? 303 LEU A O 1 ATOM 2028 C CB . LEU A 1 275 ? 222.826 -33.223 114.030 1.00 83.25 ? 303 LEU A CB 1 ATOM 2029 C CG . LEU A 1 275 ? 222.446 -33.917 112.715 1.00 71.21 ? 303 LEU A CG 1 ATOM 2030 C CD1 . LEU A 1 275 ? 221.261 -33.244 112.041 1.00 57.24 ? 303 LEU A CD1 1 ATOM 2031 C CD2 . LEU A 1 275 ? 223.637 -33.970 111.765 1.00 77.30 ? 303 LEU A CD2 1 ATOM 2032 N N . ASP A 1 276 ? 223.293 -32.609 117.005 1.00 85.09 ? 304 ASP A N 1 ATOM 2033 C CA . ASP A 1 276 ? 223.805 -31.687 118.019 1.00 102.66 ? 304 ASP A CA 1 ATOM 2034 C C . ASP A 1 276 ? 224.760 -32.346 119.011 1.00 119.41 ? 304 ASP A C 1 ATOM 2035 O O . ASP A 1 276 ? 225.968 -32.091 118.979 1.00 131.79 ? 304 ASP A O 1 ATOM 2036 C CB . ASP A 1 276 ? 222.648 -31.035 118.773 1.00 102.23 ? 304 ASP A CB 1 ATOM 2037 C CG . ASP A 1 276 ? 222.032 -29.885 118.005 1.00 100.33 ? 304 ASP A CG 1 ATOM 2038 O OD1 . ASP A 1 276 ? 222.728 -29.313 117.138 1.00 100.35 ? 304 ASP A OD1 1 ATOM 2039 O OD2 . ASP A 1 276 ? 220.859 -29.548 118.268 1.00 99.48 ? 304 ASP A OD2 1 ATOM 2040 N N . THR A 1 277 ? 224.237 -33.194 119.892 1.00 103.13 ? 305 THR A N 1 ATOM 2041 C CA . THR A 1 277 ? 225.048 -33.925 120.860 1.00 111.56 ? 305 THR A CA 1 ATOM 2042 C C . THR A 1 277 ? 225.242 -35.340 120.331 1.00 97.60 ? 305 THR A C 1 ATOM 2043 O O . THR A 1 277 ? 224.288 -36.123 120.290 1.00 84.53 ? 305 THR A O 1 ATOM 2044 C CB . THR A 1 277 ? 224.381 -33.948 122.233 1.00 122.23 ? 305 THR A CB 1 ATOM 2045 O OG1 . THR A 1 277 ? 224.340 -32.623 122.775 1.00 132.49 ? 305 THR A OG1 1 ATOM 2046 C CG2 . THR A 1 277 ? 225.145 -34.857 123.179 1.00 137.45 ? 305 THR A CG2 1 ATOM 2047 N N . SER A 1 278 ? 226.477 -35.669 119.948 1.00 100.83 ? 306 SER A N 1 ATOM 2048 C CA . SER A 1 278 ? 226.748 -36.929 119.263 1.00 93.90 ? 306 SER A CA 1 ATOM 2049 C C . SER A 1 278 ? 226.244 -38.112 120.078 1.00 91.39 ? 306 SER A C 1 ATOM 2050 O O . SER A 1 278 ? 226.636 -38.300 121.233 1.00 103.67 ? 306 SER A O 1 ATOM 2051 C CB . SER A 1 278 ? 228.245 -37.071 118.997 1.00 104.99 ? 306 SER A CB 1 ATOM 2052 O OG . SER A 1 278 ? 228.562 -38.381 118.555 1.00 97.58 ? 306 SER A OG 1 ATOM 2053 N N . GLY A 1 279 ? 225.378 -38.911 119.463 1.00 99.94 ? 307 GLY A N 1 ATOM 2054 C CA . GLY A 1 279 ? 224.716 -39.997 120.133 1.00 91.04 ? 307 GLY A CA 1 ATOM 2055 C C . GLY A 1 279 ? 223.432 -39.617 120.838 1.00 81.95 ? 307 GLY A C 1 ATOM 2056 O O . GLY A 1 279 ? 222.598 -40.493 121.080 1.00 78.68 ? 307 GLY A O 1 ATOM 2057 N N . GLY A 1 280 ? 223.258 -38.349 121.207 1.00 93.21 ? 308 GLY A N 1 ATOM 2058 C CA . GLY A 1 280 ? 221.994 -37.907 121.763 1.00 93.72 ? 308 GLY A CA 1 ATOM 2059 C C . GLY A 1 280 ? 220.925 -37.904 120.689 1.00 79.48 ? 308 GLY A C 1 ATOM 2060 O O . GLY A 1 280 ? 221.015 -37.133 119.718 1.00 73.65 ? 308 GLY A O 1 ATOM 2061 N N . TRP A 1 281 ? 219.876 -38.693 120.878 1.00 93.49 ? 309 TRP A N 1 ATOM 2062 C CA . TRP A 1 281 ? 218.860 -38.874 119.855 1.00 73.32 ? 309 TRP A CA 1 ATOM 2063 C C . TRP A 1 281 ? 217.672 -37.976 120.144 1.00 64.57 ? 309 TRP A C 1 ATOM 2064 O O . TRP A 1 281 ? 217.214 -37.876 121.287 1.00 68.68 ? 309 TRP A O 1 ATOM 2065 C CB . TRP A 1 281 ? 218.411 -40.328 119.777 1.00 69.10 ? 309 TRP A CB 1 ATOM 2066 C CG . TRP A 1 281 ? 219.470 -41.229 119.267 1.00 74.53 ? 309 TRP A CG 1 ATOM 2067 C CD1 . TRP A 1 281 ? 220.116 -42.206 119.960 1.00 91.37 ? 309 TRP A CD1 1 ATOM 2068 C CD2 . TRP A 1 281 ? 220.027 -41.231 117.952 1.00 69.40 ? 309 TRP A CD2 1 ATOM 2069 N NE1 . TRP A 1 281 ? 221.033 -42.830 119.152 1.00 96.63 ? 309 TRP A NE1 1 ATOM 2070 C CE2 . TRP A 1 281 ? 221.000 -42.247 117.913 1.00 78.43 ? 309 TRP A CE2 1 ATOM 2071 C CE3 . TRP A 1 281 ? 219.791 -40.477 116.796 1.00 64.28 ? 309 TRP A CE3 1 ATOM 2072 C CZ2 . TRP A 1 281 ? 221.741 -42.532 116.767 1.00 72.83 ? 309 TRP A CZ2 1 ATOM 2073 C CZ3 . TRP A 1 281 ? 220.524 -40.763 115.650 1.00 56.44 ? 309 TRP A CZ3 1 ATOM 2074 C CH2 . TRP A 1 281 ? 221.490 -41.781 115.649 1.00 64.58 ? 309 TRP A CH2 1 ATOM 2075 N N . GLN A 1 282 ? 217.181 -37.314 119.104 1.00 70.64 ? 310 GLN A N 1 ATOM 2076 C CA . GLN A 1 282 ? 216.131 -36.336 119.305 1.00 69.52 ? 310 GLN A CA 1 ATOM 2077 C C . GLN A 1 282 ? 215.282 -36.238 118.053 1.00 48.06 ? 310 GLN A C 1 ATOM 2078 O O . GLN A 1 282 ? 215.735 -36.521 116.939 1.00 44.64 ? 310 GLN A O 1 ATOM 2079 C CB . GLN A 1 282 ? 216.710 -34.960 119.666 1.00 85.10 ? 310 GLN A CB 1 ATOM 2080 C CG . GLN A 1 282 ? 217.688 -34.409 118.637 1.00 89.33 ? 310 GLN A CG 1 ATOM 2081 C CD . GLN A 1 282 ? 218.360 -33.121 119.085 1.00 102.95 ? 310 GLN A CD 1 ATOM 2082 O OE1 . GLN A 1 282 ? 218.747 -32.975 120.246 1.00 103.28 ? 310 GLN A OE1 1 ATOM 2083 N NE2 . GLN A 1 282 ? 218.499 -32.180 118.161 1.00 98.20 ? 310 GLN A NE2 1 ATOM 2084 N N . TRP A 1 283 ? 214.040 -35.841 118.254 1.00 71.19 ? 311 TRP A N 1 ATOM 2085 C CA . TRP A 1 283 ? 213.216 -35.419 117.148 1.00 60.57 ? 311 TRP A CA 1 ATOM 2086 C C . TRP A 1 283 ? 213.611 -34.003 116.764 1.00 66.18 ? 311 TRP A C 1 ATOM 2087 O O . TRP A 1 283 ? 214.126 -33.246 117.584 1.00 74.54 ? 311 TRP A O 1 ATOM 2088 C CB . TRP A 1 283 ? 211.749 -35.533 117.537 1.00 54.81 ? 311 TRP A CB 1 ATOM 2089 C CG . TRP A 1 283 ? 211.427 -36.960 117.829 1.00 55.96 ? 311 TRP A CG 1 ATOM 2090 C CD1 . TRP A 1 283 ? 211.151 -37.509 119.041 1.00 67.26 ? 311 TRP A CD1 1 ATOM 2091 C CD2 . TRP A 1 283 ? 211.416 -38.042 116.886 1.00 39.54 ? 311 TRP A CD2 1 ATOM 2092 N NE1 . TRP A 1 283 ? 210.938 -38.862 118.911 1.00 59.37 ? 311 TRP A NE1 1 ATOM 2093 C CE2 . TRP A 1 283 ? 211.094 -39.213 117.598 1.00 40.62 ? 311 TRP A CE2 1 ATOM 2094 C CE3 . TRP A 1 283 ? 211.626 -38.123 115.507 1.00 33.26 ? 311 TRP A CE3 1 ATOM 2095 C CZ2 . TRP A 1 283 ? 210.986 -40.459 116.982 1.00 32.83 ? 311 TRP A CZ2 1 ATOM 2096 C CZ3 . TRP A 1 283 ? 211.513 -39.349 114.892 1.00 30.52 ? 311 TRP A CZ3 1 ATOM 2097 C CH2 . TRP A 1 283 ? 211.203 -40.510 115.633 1.00 31.06 ? 311 TRP A CH2 1 ATOM 2098 N N . SER A 1 284 ? 213.450 -33.675 115.483 1.00 61.75 ? 312 SER A N 1 ATOM 2099 C CA . SER A 1 284 ? 213.770 -32.321 115.047 1.00 55.75 ? 312 SER A CA 1 ATOM 2100 C C . SER A 1 284 ? 212.795 -31.326 115.655 1.00 55.18 ? 312 SER A C 1 ATOM 2101 O O . SER A 1 284 ? 213.189 -30.234 116.065 1.00 68.31 ? 312 SER A O 1 ATOM 2102 C CB . SER A 1 284 ? 213.761 -32.238 113.523 1.00 41.56 ? 312 SER A CB 1 ATOM 2103 O OG . SER A 1 284 ? 212.430 -32.308 113.033 1.00 33.40 ? 312 SER A OG 1 ATOM 2104 N N . ASP A 1 285 ? 211.520 -31.696 115.727 1.00 48.40 ? 313 ASP A N 1 ATOM 2105 C CA . ASP A 1 285 ? 210.586 -31.058 116.633 1.00 48.65 ? 313 ASP A CA 1 ATOM 2106 C C . ASP A 1 285 ? 210.960 -31.478 118.049 1.00 65.50 ? 313 ASP A C 1 ATOM 2107 O O . ASP A 1 285 ? 211.908 -32.231 118.270 1.00 82.58 ? 313 ASP A O 1 ATOM 2108 C CB . ASP A 1 285 ? 209.136 -31.408 116.254 1.00 36.11 ? 313 ASP A CB 1 ATOM 2109 C CG . ASP A 1 285 ? 208.674 -32.833 116.727 1.00 50.16 ? 313 ASP A CG 1 ATOM 2110 O OD1 . ASP A 1 285 ? 209.392 -33.577 117.435 1.00 48.40 ? 313 ASP A OD1 1 ATOM 2111 O OD2 . ASP A 1 285 ? 207.525 -33.205 116.394 1.00 44.68 ? 313 ASP A OD2 1 ATOM 2112 N N . ASN A 1 286 ? 210.227 -31.021 119.037 1.00 40.49 ? 314 ASN A N 1 ATOM 2113 C CA . ASN A 1 286 ? 210.768 -31.218 120.383 1.00 61.17 ? 314 ASN A CA 1 ATOM 2114 C C . ASN A 1 286 ? 210.266 -32.472 121.111 1.00 60.55 ? 314 ASN A C 1 ATOM 2115 O O . ASN A 1 286 ? 210.493 -32.587 122.320 1.00 78.52 ? 314 ASN A O 1 ATOM 2116 C CB . ASN A 1 286 ? 210.561 -29.970 121.223 1.00 79.39 ? 314 ASN A CB 1 ATOM 2117 C CG . ASN A 1 286 ? 211.787 -29.094 121.204 1.00 97.16 ? 314 ASN A CG 1 ATOM 2118 O OD1 . ASN A 1 286 ? 212.838 -29.487 121.719 1.00 105.47 ? 314 ASN A OD1 1 ATOM 2119 N ND2 . ASN A 1 286 ? 211.685 -27.924 120.570 1.00 98.25 ? 314 ASN A ND2 1 ATOM 2120 N N . SER A 1 287 ? 209.582 -33.381 120.417 1.00 56.21 ? 315 SER A N 1 ATOM 2121 C CA . SER A 1 287 ? 208.909 -34.505 121.066 1.00 58.58 ? 315 SER A CA 1 ATOM 2122 C C . SER A 1 287 ? 209.873 -35.343 121.909 1.00 64.15 ? 315 SER A C 1 ATOM 2123 O O . SER A 1 287 ? 211.021 -35.576 121.505 1.00 58.89 ? 315 SER A O 1 ATOM 2124 C CB . SER A 1 287 ? 208.240 -35.396 120.020 1.00 49.81 ? 315 SER A CB 1 ATOM 2125 O OG . SER A 1 287 ? 207.255 -34.675 119.297 1.00 47.80 ? 315 SER A OG 1 ATOM 2126 N N . PRO A 1 288 ? 209.439 -35.812 123.081 1.00 58.60 ? 316 PRO A N 1 ATOM 2127 C CA . PRO A 1 288 ? 210.279 -36.716 123.877 1.00 61.02 ? 316 PRO A CA 1 ATOM 2128 C C . PRO A 1 288 ? 210.558 -38.013 123.134 1.00 53.35 ? 316 PRO A C 1 ATOM 2129 O O . PRO A 1 288 ? 209.795 -38.440 122.261 1.00 40.04 ? 316 PRO A O 1 ATOM 2130 C CB . PRO A 1 288 ? 209.442 -36.963 125.137 1.00 65.59 ? 316 PRO A CB 1 ATOM 2131 C CG . PRO A 1 288 ? 208.045 -36.626 124.751 1.00 64.70 ? 316 PRO A CG 1 ATOM 2132 C CD . PRO A 1 288 ? 208.158 -35.519 123.744 1.00 63.06 ? 316 PRO A CD 1 ATOM 2133 N N . LEU A 1 289 ? 211.663 -38.655 123.484 1.00 55.42 ? 317 LEU A N 1 ATOM 2134 C CA . LEU A 1 289 ? 211.983 -39.904 122.817 1.00 47.71 ? 317 LEU A CA 1 ATOM 2135 C C . LEU A 1 289 ? 211.519 -40.999 123.773 1.00 53.25 ? 317 LEU A C 1 ATOM 2136 O O . LEU A 1 289 ? 212.302 -41.561 124.544 1.00 70.95 ? 317 LEU A O 1 ATOM 2137 C CB . LEU A 1 289 ? 213.483 -39.947 122.539 1.00 59.00 ? 317 LEU A CB 1 ATOM 2138 C CG . LEU A 1 289 ? 214.118 -41.066 121.714 1.00 61.67 ? 317 LEU A CG 1 ATOM 2139 C CD1 . LEU A 1 289 ? 213.840 -40.853 120.245 1.00 37.70 ? 317 LEU A CD1 1 ATOM 2140 C CD2 . LEU A 1 289 ? 215.614 -41.130 121.979 1.00 80.97 ? 317 LEU A CD2 1 ATOM 2141 N N . LYS A 1 290 ? 210.234 -41.352 123.669 1.00 47.30 ? 318 LYS A N 1 ATOM 2142 C CA . LYS A 1 290 ? 209.662 -42.407 124.489 1.00 56.28 ? 318 LYS A CA 1 ATOM 2143 C C . LYS A 1 290 ? 209.411 -43.682 123.709 1.00 44.06 ? 318 LYS A C 1 ATOM 2144 O O . LYS A 1 290 ? 209.103 -44.719 124.319 1.00 58.81 ? 318 LYS A O 1 ATOM 2145 C CB . LYS A 1 290 ? 208.357 -41.933 125.152 1.00 62.69 ? 318 LYS A CB 1 ATOM 2146 C CG . LYS A 1 290 ? 207.261 -41.556 124.190 1.00 56.84 ? 318 LYS A CG 1 ATOM 2147 C CD . LYS A 1 290 ? 205.992 -41.147 124.919 1.00 55.31 ? 318 LYS A CD 1 ATOM 2148 C CE . LYS A 1 290 ? 204.899 -42.192 124.770 1.00 59.76 ? 318 LYS A CE 1 ATOM 2149 N NZ . LYS A 1 290 ? 205.297 -43.555 125.258 1.00 66.26 ? 318 LYS A NZ 1 ATOM 2150 N N . TYR A 1 291 ? 209.592 -43.640 122.394 1.00 57.54 ? 319 TYR A N 1 ATOM 2151 C CA . TYR A 1 291 ? 209.267 -44.743 121.511 1.00 55.71 ? 319 TYR A CA 1 ATOM 2152 C C . TYR A 1 291 ? 210.386 -44.899 120.495 1.00 55.07 ? 319 TYR A C 1 ATOM 2153 O O . TYR A 1 291 ? 210.802 -43.920 119.870 1.00 56.20 ? 319 TYR A O 1 ATOM 2154 C CB . TYR A 1 291 ? 207.924 -44.511 120.811 1.00 44.01 ? 319 TYR A CB 1 ATOM 2155 C CG . TYR A 1 291 ? 207.627 -45.604 119.835 1.00 43.93 ? 319 TYR A CG 1 ATOM 2156 C CD1 . TYR A 1 291 ? 207.225 -46.862 120.278 1.00 42.72 ? 319 TYR A CD1 1 ATOM 2157 C CD2 . TYR A 1 291 ? 207.805 -45.406 118.471 1.00 34.26 ? 319 TYR A CD2 1 ATOM 2158 C CE1 . TYR A 1 291 ? 206.978 -47.895 119.386 1.00 36.99 ? 319 TYR A CE1 1 ATOM 2159 C CE2 . TYR A 1 291 ? 207.556 -46.428 117.564 1.00 34.15 ? 319 TYR A CE2 1 ATOM 2160 C CZ . TYR A 1 291 ? 207.146 -47.673 118.034 1.00 34.18 ? 319 TYR A CZ 1 ATOM 2161 O OH . TYR A 1 291 ? 206.906 -48.679 117.142 1.00 34.33 ? 319 TYR A OH 1 ATOM 2162 N N . LEU A 1 292 ? 210.879 -46.127 120.341 1.00 42.44 ? 320 LEU A N 1 ATOM 2163 C CA . LEU A 1 292 ? 211.979 -46.423 119.427 1.00 48.93 ? 320 LEU A CA 1 ATOM 2164 C C . LEU A 1 292 ? 211.609 -47.646 118.598 1.00 47.39 ? 320 LEU A C 1 ATOM 2165 O O . LEU A 1 292 ? 211.236 -48.686 119.153 1.00 50.19 ? 320 LEU A O 1 ATOM 2166 C CB . LEU A 1 292 ? 213.293 -46.647 120.189 1.00 60.64 ? 320 LEU A CB 1 ATOM 2167 C CG . LEU A 1 292 ? 213.902 -45.417 120.881 1.00 68.23 ? 320 LEU A CG 1 ATOM 2168 C CD1 . LEU A 1 292 ? 213.271 -45.170 122.244 1.00 61.49 ? 320 LEU A CD1 1 ATOM 2169 C CD2 . LEU A 1 292 ? 215.419 -45.517 120.994 1.00 80.92 ? 320 LEU A CD2 1 ATOM 2170 N N . ASN A 1 293 ? 211.603 -47.480 117.280 1.00 56.55 ? 321 ASN A N 1 ATOM 2171 C CA . ASN A 1 293 ? 211.464 -48.557 116.306 1.00 46.42 ? 321 ASN A CA 1 ATOM 2172 C C . ASN A 1 293 ? 212.761 -48.907 115.575 1.00 39.91 ? 321 ASN A C 1 ATOM 2173 O O . ASN A 1 293 ? 212.700 -49.266 114.402 1.00 44.58 ? 321 ASN A O 1 ATOM 2174 C CB . ASN A 1 293 ? 210.348 -48.287 115.302 1.00 43.78 ? 321 ASN A CB 1 ATOM 2175 C CG . ASN A 1 293 ? 209.661 -49.564 114.892 1.00 37.77 ? 321 ASN A CG 1 ATOM 2176 O OD1 . ASN A 1 293 ? 209.770 -50.563 115.592 1.00 48.54 ? 321 ASN A OD1 1 ATOM 2177 N ND2 . ASN A 1 293 ? 208.972 -49.554 113.752 1.00 27.39 ? 321 ASN A ND2 1 ATOM 2178 N N . TRP A 1 294 ? 213.923 -48.631 116.154 1.00 46.62 ? 322 TRP A N 1 ATOM 2179 C CA . TRP A 1 294 ? 215.182 -48.986 115.503 1.00 52.11 ? 322 TRP A CA 1 ATOM 2180 C C . TRP A 1 294 ? 215.150 -50.408 114.966 1.00 59.49 ? 322 TRP A C 1 ATOM 2181 O O . TRP A 1 294 ? 214.606 -51.318 115.594 1.00 59.98 ? 322 TRP A O 1 ATOM 2182 C CB . TRP A 1 294 ? 216.354 -48.885 116.477 1.00 58.26 ? 322 TRP A CB 1 ATOM 2183 C CG . TRP A 1 294 ? 216.772 -47.510 116.840 1.00 55.81 ? 322 TRP A CG 1 ATOM 2184 C CD1 . TRP A 1 294 ? 216.818 -46.979 118.086 1.00 66.05 ? 322 TRP A CD1 1 ATOM 2185 C CD2 . TRP A 1 294 ? 217.221 -46.487 115.947 1.00 54.44 ? 322 TRP A CD2 1 ATOM 2186 N NE1 . TRP A 1 294 ? 217.265 -45.683 118.033 1.00 68.30 ? 322 TRP A NE1 1 ATOM 2187 C CE2 . TRP A 1 294 ? 217.517 -45.355 116.728 1.00 63.27 ? 322 TRP A CE2 1 ATOM 2188 C CE3 . TRP A 1 294 ? 217.397 -46.417 114.560 1.00 50.21 ? 322 TRP A CE3 1 ATOM 2189 C CZ2 . TRP A 1 294 ? 217.978 -44.166 116.174 1.00 62.83 ? 322 TRP A CZ2 1 ATOM 2190 C CZ3 . TRP A 1 294 ? 217.858 -45.240 114.012 1.00 49.14 ? 322 TRP A CZ3 1 ATOM 2191 C CH2 . TRP A 1 294 ? 218.140 -44.126 114.820 1.00 56.40 ? 322 TRP A CH2 1 ATOM 2192 N N . GLU A 1 295 ? 215.711 -50.579 113.771 1.00 66.98 ? 323 GLU A N 1 ATOM 2193 C CA . GLU A 1 295 ? 215.956 -51.900 113.224 1.00 70.03 ? 323 GLU A CA 1 ATOM 2194 C C . GLU A 1 295 ? 217.016 -52.631 114.047 1.00 82.33 ? 323 GLU A C 1 ATOM 2195 O O . GLU A 1 295 ? 217.783 -52.027 114.804 1.00 80.69 ? 323 GLU A O 1 ATOM 2196 C CB . GLU A 1 295 ? 216.389 -51.804 111.765 1.00 65.32 ? 323 GLU A CB 1 ATOM 2197 C CG . GLU A 1 295 ? 215.229 -51.646 110.795 1.00 56.21 ? 323 GLU A CG 1 ATOM 2198 C CD . GLU A 1 295 ? 215.694 -51.369 109.388 1.00 54.81 ? 323 GLU A CD 1 ATOM 2199 O OE1 . GLU A 1 295 ? 216.840 -51.728 109.051 1.00 68.30 ? 323 GLU A OE1 1 ATOM 2200 O OE2 . GLU A 1 295 ? 214.922 -50.770 108.623 1.00 39.21 ? 323 GLU A OE2 1 ATOM 2201 N N . SER A 1 296 ? 217.054 -53.954 113.867 1.00 62.70 ? 324 SER A N 1 ATOM 2202 C CA . SER A 1 296 ? 217.779 -54.866 114.748 1.00 78.92 ? 324 SER A CA 1 ATOM 2203 C C . SER A 1 296 ? 219.173 -54.364 115.110 1.00 87.30 ? 324 SER A C 1 ATOM 2204 O O . SER A 1 296 ? 219.470 -54.101 116.281 1.00 102.35 ? 324 SER A O 1 ATOM 2205 C CB . SER A 1 296 ? 217.868 -56.239 114.083 1.00 91.06 ? 324 SER A CB 1 ATOM 2206 O OG . SER A 1 296 ? 218.629 -56.150 112.896 1.00 101.36 ? 324 SER A OG 1 ATOM 2207 N N . ASP A 1 297 ? 220.038 -54.227 114.113 1.00 70.17 ? 325 ASP A N 1 ATOM 2208 C CA . ASP A 1 297 ? 221.416 -53.813 114.332 1.00 83.86 ? 325 ASP A CA 1 ATOM 2209 C C . ASP A 1 297 ? 221.624 -52.300 114.247 1.00 82.47 ? 325 ASP A C 1 ATOM 2210 O O . ASP A 1 297 ? 222.771 -51.852 114.161 1.00 91.68 ? 325 ASP A O 1 ATOM 2211 C CB . ASP A 1 297 ? 222.354 -54.549 113.372 1.00 94.25 ? 325 ASP A CB 1 ATOM 2212 C CG . ASP A 1 297 ? 222.934 -55.826 113.992 1.00 110.45 ? 325 ASP A CG 1 ATOM 2213 O OD1 . ASP A 1 297 ? 223.988 -55.744 114.662 1.00 118.75 ? 325 ASP A OD1 1 ATOM 2214 O OD2 . ASP A 1 297 ? 222.330 -56.908 113.821 1.00 112.11 ? 325 ASP A OD2 1 ATOM 2215 N N . GLN A 1 298 ? 220.558 -51.505 114.239 1.00 85.92 ? 326 GLN A N 1 ATOM 2216 C CA . GLN A 1 298 ? 220.712 -50.056 114.106 1.00 79.94 ? 326 GLN A CA 1 ATOM 2217 C C . GLN A 1 298 ? 220.384 -49.327 115.408 1.00 75.98 ? 326 GLN A C 1 ATOM 2218 O O . GLN A 1 298 ? 219.576 -49.807 116.197 1.00 74.74 ? 326 GLN A O 1 ATOM 2219 C CB . GLN A 1 298 ? 219.808 -49.537 112.992 1.00 67.57 ? 326 GLN A CB 1 ATOM 2220 C CG . GLN A 1 298 ? 220.063 -50.171 111.643 1.00 70.58 ? 326 GLN A CG 1 ATOM 2221 C CD . GLN A 1 298 ? 220.775 -49.227 110.694 1.00 74.45 ? 326 GLN A CD 1 ATOM 2222 O OE1 . GLN A 1 298 ? 221.071 -48.083 111.045 1.00 78.21 ? 326 GLN A OE1 1 ATOM 2223 N NE2 . GLN A 1 298 ? 221.047 -49.699 109.482 1.00 70.34 ? 326 GLN A NE2 1 ATOM 2224 N N . PRO A 1 299 ? 221.010 -48.159 115.642 1.00 66.52 ? 327 PRO A N 1 ATOM 2225 C CA . PRO A 1 299 ? 222.008 -47.451 114.826 1.00 74.29 ? 327 PRO A CA 1 ATOM 2226 C C . PRO A 1 299 ? 223.402 -48.094 114.769 1.00 92.58 ? 327 PRO A C 1 ATOM 2227 O O . PRO A 1 299 ? 223.937 -48.493 115.798 1.00 93.76 ? 327 PRO A O 1 ATOM 2228 C CB . PRO A 1 299 ? 222.116 -46.076 115.510 1.00 69.03 ? 327 PRO A CB 1 ATOM 2229 C CG . PRO A 1 299 ? 221.023 -46.019 116.506 1.00 61.58 ? 327 PRO A CG 1 ATOM 2230 C CD . PRO A 1 299 ? 220.718 -47.427 116.883 1.00 62.59 ? 327 PRO A CD 1 ATOM 2231 N N . ASP A 1 300 ? 223.970 -48.178 113.568 1.00 77.80 ? 328 ASP A N 1 ATOM 2232 C CA . ASP A 1 300 ? 225.382 -48.456 113.335 1.00 97.35 ? 328 ASP A CA 1 ATOM 2233 C C . ASP A 1 300 ? 226.075 -47.171 112.877 1.00 101.53 ? 328 ASP A C 1 ATOM 2234 O O . ASP A 1 300 ? 225.457 -46.105 112.815 1.00 97.48 ? 328 ASP A O 1 ATOM 2235 C CB . ASP A 1 300 ? 225.547 -49.585 112.313 1.00 101.81 ? 328 ASP A CB 1 ATOM 2236 C CG . ASP A 1 300 ? 224.983 -49.227 110.951 1.00 98.11 ? 328 ASP A CG 1 ATOM 2237 O OD1 . ASP A 1 300 ? 224.255 -48.222 110.859 1.00 91.29 ? 328 ASP A OD1 1 ATOM 2238 O OD2 . ASP A 1 300 ? 225.258 -49.951 109.971 1.00 102.32 ? 328 ASP A OD2 1 ATOM 2239 N N . ASN A 1 301 ? 227.367 -47.282 112.556 1.00 108.62 ? 329 ASN A N 1 ATOM 2240 C CA . ASN A 1 301 ? 228.197 -46.203 112.024 1.00 107.14 ? 329 ASN A CA 1 ATOM 2241 C C . ASN A 1 301 ? 227.953 -44.879 112.758 1.00 104.66 ? 329 ASN A C 1 ATOM 2242 O O . ASN A 1 301 ? 227.509 -43.902 112.149 1.00 100.41 ? 329 ASN A O 1 ATOM 2243 C CB . ASN A 1 301 ? 227.980 -46.033 110.523 1.00 94.33 ? 329 ASN A CB 1 ATOM 2244 C CG . ASN A 1 301 ? 228.502 -47.204 109.711 1.00 97.46 ? 329 ASN A CG 1 ATOM 2245 O OD1 . ASN A 1 301 ? 227.736 -47.888 109.025 1.00 85.34 ? 329 ASN A OD1 1 ATOM 2246 N ND2 . ASN A 1 301 ? 229.813 -47.432 109.768 1.00 110.87 ? 329 ASN A ND2 1 ATOM 2247 N N . PRO A 1 302 ? 228.247 -44.811 114.060 1.00 103.06 ? 330 PRO A N 1 ATOM 2248 C CA . PRO A 1 302 ? 227.782 -43.654 114.849 1.00 100.74 ? 330 PRO A CA 1 ATOM 2249 C C . PRO A 1 302 ? 228.329 -42.311 114.388 1.00 105.98 ? 330 PRO A C 1 ATOM 2250 O O . PRO A 1 302 ? 227.564 -41.347 114.272 1.00 102.85 ? 330 PRO A O 1 ATOM 2251 C CB . PRO A 1 302 ? 228.235 -44.007 116.272 1.00 110.58 ? 330 PRO A CB 1 ATOM 2252 C CG . PRO A 1 302 ? 229.341 -44.980 116.094 1.00 119.12 ? 330 PRO A CG 1 ATOM 2253 C CD . PRO A 1 302 ? 229.001 -45.774 114.879 1.00 112.41 ? 330 PRO A CD 1 ATOM 2254 N N . SER A 1 303 ? 229.630 -42.209 114.124 1.00 111.49 ? 331 SER A N 1 ATOM 2255 C CA . SER A 1 303 ? 230.177 -40.936 113.670 1.00 119.78 ? 331 SER A CA 1 ATOM 2256 C C . SER A 1 303 ? 229.869 -40.660 112.207 1.00 111.08 ? 331 SER A C 1 ATOM 2257 O O . SER A 1 303 ? 230.046 -39.524 111.751 1.00 100.46 ? 331 SER A O 1 ATOM 2258 C CB . SER A 1 303 ? 231.691 -40.894 113.894 1.00 137.50 ? 331 SER A CB 1 ATOM 2259 O OG . SER A 1 303 ? 232.223 -39.627 113.543 1.00 141.56 ? 331 SER A OG 1 ATOM 2260 N N . GLU A 1 304 ? 229.408 -41.668 111.470 1.00 109.03 ? 332 GLU A N 1 ATOM 2261 C CA . GLU A 1 304 ? 229.107 -41.530 110.052 1.00 113.22 ? 332 GLU A CA 1 ATOM 2262 C C . GLU A 1 304 ? 227.660 -41.095 109.818 1.00 88.16 ? 332 GLU A C 1 ATOM 2263 O O . GLU A 1 304 ? 227.415 -40.013 109.276 1.00 89.61 ? 332 GLU A O 1 ATOM 2264 C CB . GLU A 1 304 ? 229.406 -42.849 109.329 1.00 131.24 ? 332 GLU A CB 1 ATOM 2265 C CG . GLU A 1 304 ? 230.737 -43.483 109.712 1.00 161.45 ? 332 GLU A CG 1 ATOM 2266 C CD . GLU A 1 304 ? 231.931 -42.625 109.339 1.00 182.43 ? 332 GLU A CD 1 ATOM 2267 O OE1 . GLU A 1 304 ? 231.823 -41.835 108.377 1.00 179.72 ? 332 GLU A OE1 1 ATOM 2268 O OE2 . GLU A 1 304 ? 232.978 -42.740 110.010 1.00 201.12 ? 332 GLU A OE2 1 ATOM 2269 N N . GLU A 1 305 ? 226.694 -41.924 110.227 1.00 122.68 ? 333 GLU A N 1 ATOM 2270 C CA . GLU A 1 305 ? 225.296 -41.779 109.826 1.00 85.60 ? 333 GLU A CA 1 ATOM 2271 C C . GLU A 1 305 ? 224.484 -41.128 110.949 1.00 73.41 ? 333 GLU A C 1 ATOM 2272 O O . GLU A 1 305 ? 224.137 -41.782 111.938 1.00 73.71 ? 333 GLU A O 1 ATOM 2273 C CB . GLU A 1 305 ? 224.734 -43.152 109.466 1.00 72.74 ? 333 GLU A CB 1 ATOM 2274 C CG . GLU A 1 305 ? 225.379 -43.808 108.245 1.00 68.24 ? 333 GLU A CG 1 ATOM 2275 C CD . GLU A 1 305 ? 224.896 -45.234 108.029 1.00 73.45 ? 333 GLU A CD 1 ATOM 2276 O OE1 . GLU A 1 305 ? 224.644 -45.920 109.038 1.00 82.11 ? 333 GLU A OE1 1 ATOM 2277 O OE2 . GLU A 1 305 ? 224.752 -45.667 106.860 1.00 68.28 ? 333 GLU A OE2 1 ATOM 2278 N N . ASN A 1 306 ? 224.149 -39.849 110.770 1.00 65.56 ? 334 ASN A N 1 ATOM 2279 C CA . ASN A 1 306 ? 223.579 -39.006 111.818 1.00 72.66 ? 334 ASN A CA 1 ATOM 2280 C C . ASN A 1 306 ? 222.069 -38.754 111.723 1.00 60.76 ? 334 ASN A C 1 ATOM 2281 O O . ASN A 1 306 ? 221.534 -38.047 112.584 1.00 61.17 ? 334 ASN A O 1 ATOM 2282 C CB . ASN A 1 306 ? 224.310 -37.659 111.841 1.00 90.58 ? 334 ASN A CB 1 ATOM 2283 C CG . ASN A 1 306 ? 225.799 -37.808 112.085 1.00 109.99 ? 334 ASN A CG 1 ATOM 2284 O OD1 . ASN A 1 306 ? 226.361 -38.894 111.941 1.00 112.54 ? 334 ASN A OD1 1 ATOM 2285 N ND2 . ASN A 1 306 ? 226.448 -36.712 112.453 1.00 121.22 ? 334 ASN A ND2 1 ATOM 2286 N N . CYS A 1 307 ? 221.370 -39.269 110.708 1.00 68.03 ? 335 CYS A N 1 ATOM 2287 C CA . CYS A 1 307 ? 219.973 -38.904 110.481 1.00 60.28 ? 335 CYS A CA 1 ATOM 2288 C C . CYS A 1 307 ? 219.116 -40.142 110.249 1.00 47.78 ? 335 CYS A C 1 ATOM 2289 O O . CYS A 1 307 ? 219.512 -41.047 109.510 1.00 54.32 ? 335 CYS A O 1 ATOM 2290 C CB . CYS A 1 307 ? 219.827 -37.944 109.274 1.00 57.11 ? 335 CYS A CB 1 ATOM 2291 S SG . CYS A 1 307 ? 220.553 -36.283 109.488 1.00 75.32 ? 335 CYS A SG 1 ATOM 2292 N N . GLY A 1 308 ? 217.926 -40.166 110.857 1.00 57.24 ? 336 GLY A N 1 ATOM 2293 C CA . GLY A 1 308 ? 217.077 -41.355 110.785 1.00 50.18 ? 336 GLY A CA 1 ATOM 2294 C C . GLY A 1 308 ? 216.207 -41.414 109.537 1.00 42.31 ? 336 GLY A C 1 ATOM 2295 O O . GLY A 1 308 ? 215.858 -40.397 108.936 1.00 35.99 ? 336 GLY A O 1 ATOM 2296 N N . VAL A 1 309 ? 215.878 -42.649 109.132 1.00 48.96 ? 337 VAL A N 1 ATOM 2297 C CA . VAL A 1 309 ? 214.925 -42.936 108.069 1.00 35.19 ? 337 VAL A CA 1 ATOM 2298 C C . VAL A 1 309 ? 213.937 -43.980 108.565 1.00 39.79 ? 337 VAL A C 1 ATOM 2299 O O . VAL A 1 309 ? 214.192 -44.702 109.531 1.00 49.87 ? 337 VAL A O 1 ATOM 2300 C CB . VAL A 1 309 ? 215.576 -43.448 106.756 1.00 37.03 ? 337 VAL A CB 1 ATOM 2301 C CG1 . VAL A 1 309 ? 216.572 -42.440 106.196 1.00 37.96 ? 337 VAL A CG1 1 ATOM 2302 C CG2 . VAL A 1 309 ? 216.203 -44.834 106.947 1.00 38.10 ? 337 VAL A CG2 1 ATOM 2303 N N . ILE A 1 310 ? 212.793 -44.051 107.884 1.00 42.89 ? 338 ILE A N 1 ATOM 2304 C CA . ILE A 1 310 ? 211.841 -45.141 108.044 1.00 44.33 ? 338 ILE A CA 1 ATOM 2305 C C . ILE A 1 310 ? 211.804 -45.898 106.723 1.00 42.65 ? 338 ILE A C 1 ATOM 2306 O O . ILE A 1 310 ? 211.869 -45.290 105.646 1.00 33.51 ? 338 ILE A O 1 ATOM 2307 C CB . ILE A 1 310 ? 210.443 -44.636 108.467 1.00 36.27 ? 338 ILE A CB 1 ATOM 2308 C CG1 . ILE A 1 310 ? 209.506 -45.804 108.750 1.00 36.19 ? 338 ILE A CG1 1 ATOM 2309 C CG2 . ILE A 1 310 ? 209.796 -43.709 107.407 1.00 24.95 ? 338 ILE A CG2 1 ATOM 2310 C CD1 . ILE A 1 310 ? 208.197 -45.384 109.397 1.00 36.24 ? 338 ILE A CD1 1 ATOM 2311 N N . ARG A 1 311 ? 211.768 -47.222 106.785 1.00 46.62 ? 339 ARG A N 1 ATOM 2312 C CA . ARG A 1 311 ? 211.780 -47.953 105.529 1.00 42.28 ? 339 ARG A CA 1 ATOM 2313 C C . ARG A 1 311 ? 210.677 -48.994 105.486 1.00 41.22 ? 339 ARG A C 1 ATOM 2314 O O . ARG A 1 311 ? 210.341 -49.620 106.494 1.00 42.04 ? 339 ARG A O 1 ATOM 2315 C CB . ARG A 1 311 ? 213.155 -48.580 105.240 1.00 37.13 ? 339 ARG A CB 1 ATOM 2316 C CG . ARG A 1 311 ? 213.706 -49.485 106.275 1.00 55.52 ? 339 ARG A CG 1 ATOM 2317 C CD . ARG A 1 311 ? 214.586 -50.569 105.628 1.00 78.01 ? 339 ARG A CD 1 ATOM 2318 N NE . ARG A 1 311 ? 215.963 -50.131 105.420 1.00 92.31 ? 339 ARG A NE 1 ATOM 2319 C CZ . ARG A 1 311 ? 216.441 -49.673 104.267 1.00 99.41 ? 339 ARG A CZ 1 ATOM 2320 N NH1 . ARG A 1 311 ? 215.655 -49.587 103.199 1.00 99.24 ? 339 ARG A NH1 1 ATOM 2321 N NH2 . ARG A 1 311 ? 217.712 -49.302 104.181 1.00 102.21 ? 339 ARG A NH2 1 ATOM 2322 N N . THR A 1 312 ? 210.075 -49.121 104.309 1.00 43.16 ? 340 THR A N 1 ATOM 2323 C CA . THR A 1 312 ? 209.052 -50.131 104.100 1.00 41.86 ? 340 THR A CA 1 ATOM 2324 C C . THR A 1 312 ? 209.663 -51.532 104.064 1.00 50.31 ? 340 THR A C 1 ATOM 2325 O O . THR A 1 312 ? 209.018 -52.503 104.480 1.00 45.96 ? 340 THR A O 1 ATOM 2326 C CB . THR A 1 312 ? 208.321 -49.819 102.809 1.00 43.20 ? 340 THR A CB 1 ATOM 2327 O OG1 . THR A 1 312 ? 209.278 -49.852 101.754 1.00 48.94 ? 340 THR A OG1 1 ATOM 2328 C CG2 . THR A 1 312 ? 207.737 -48.424 102.872 1.00 35.56 ? 340 THR A CG2 1 ATOM 2329 N N . GLU A 1 313 ? 210.914 -51.633 103.594 1.00 53.12 ? 341 GLU A N 1 ATOM 2330 C CA . GLU A 1 313 ? 211.641 -52.898 103.551 1.00 59.13 ? 341 GLU A CA 1 ATOM 2331 C C . GLU A 1 313 ? 211.596 -53.618 104.892 1.00 58.36 ? 341 GLU A C 1 ATOM 2332 O O . GLU A 1 313 ? 211.513 -54.851 104.939 1.00 60.26 ? 341 GLU A O 1 ATOM 2333 C CB . GLU A 1 313 ? 213.088 -52.624 103.128 1.00 67.20 ? 341 GLU A CB 1 ATOM 2334 C CG . GLU A 1 313 ? 214.052 -53.811 103.172 1.00 85.43 ? 341 GLU A CG 1 ATOM 2335 C CD . GLU A 1 313 ? 215.387 -53.504 102.484 1.00 99.55 ? 341 GLU A CD 1 ATOM 2336 O OE1 . GLU A 1 313 ? 215.450 -52.530 101.697 1.00 101.76 ? 341 GLU A OE1 1 ATOM 2337 O OE2 . GLU A 1 313 ? 216.371 -54.238 102.727 1.00 107.50 ? 341 GLU A OE2 1 ATOM 2338 N N . SER A 1 314 ? 211.630 -52.861 105.991 1.00 54.25 ? 342 SER A N 1 ATOM 2339 C CA . SER A 1 314 ? 211.604 -53.400 107.343 1.00 57.02 ? 342 SER A CA 1 ATOM 2340 C C . SER A 1 314 ? 210.254 -53.211 108.020 1.00 52.90 ? 342 SER A C 1 ATOM 2341 O O . SER A 1 314 ? 210.191 -53.182 109.253 1.00 49.12 ? 342 SER A O 1 ATOM 2342 C CB . SER A 1 314 ? 212.683 -52.742 108.200 1.00 51.76 ? 342 SER A CB 1 ATOM 2343 O OG . SER A 1 314 ? 212.333 -51.394 108.513 1.00 43.27 ? 342 SER A OG 1 ATOM 2344 N N . SER A 1 315 ? 209.180 -53.045 107.244 1.00 47.22 ? 343 SER A N 1 ATOM 2345 C CA . SER A 1 315 ? 207.838 -52.887 107.804 1.00 46.80 ? 343 SER A CA 1 ATOM 2346 C C . SER A 1 315 ? 207.751 -51.718 108.800 1.00 48.22 ? 343 SER A C 1 ATOM 2347 O O . SER A 1 315 ? 206.965 -51.749 109.756 1.00 41.41 ? 343 SER A O 1 ATOM 2348 C CB . SER A 1 315 ? 207.377 -54.189 108.458 1.00 52.42 ? 343 SER A CB 1 ATOM 2349 O OG . SER A 1 315 ? 207.167 -55.207 107.490 1.00 64.72 ? 343 SER A OG 1 ATOM 2350 N N . GLY A 1 316 ? 208.542 -50.668 108.573 1.00 45.23 ? 344 GLY A N 1 ATOM 2351 C CA . GLY A 1 316 ? 208.456 -49.446 109.349 1.00 45.52 ? 344 GLY A CA 1 ATOM 2352 C C . GLY A 1 316 ? 209.594 -49.207 110.306 1.00 42.82 ? 344 GLY A C 1 ATOM 2353 O O . GLY A 1 316 ? 209.534 -48.237 111.071 1.00 39.81 ? 344 GLY A O 1 ATOM 2354 N N . GLY A 1 317 ? 210.613 -50.068 110.316 1.00 41.57 ? 345 GLY A N 1 ATOM 2355 C CA . GLY A 1 317 ? 211.738 -49.867 111.201 1.00 39.33 ? 345 GLY A CA 1 ATOM 2356 C C . GLY A 1 317 ? 212.577 -48.667 110.803 1.00 45.33 ? 345 GLY A C 1 ATOM 2357 O O . GLY A 1 317 ? 212.484 -48.138 109.704 1.00 38.86 ? 345 GLY A O 1 ATOM 2358 N N . TRP A 1 318 ? 213.420 -48.236 111.727 1.00 39.56 ? 346 TRP A N 1 ATOM 2359 C CA . TRP A 1 318 ? 214.256 -47.064 111.553 1.00 44.52 ? 346 TRP A CA 1 ATOM 2360 C C . TRP A 1 318 ? 215.716 -47.472 111.399 1.00 54.94 ? 346 TRP A C 1 ATOM 2361 O O . TRP A 1 318 ? 216.191 -48.393 112.074 1.00 56.32 ? 346 TRP A O 1 ATOM 2362 C CB . TRP A 1 318 ? 214.125 -46.122 112.750 1.00 45.64 ? 346 TRP A CB 1 ATOM 2363 C CG . TRP A 1 318 ? 212.720 -45.851 113.179 1.00 37.42 ? 346 TRP A CG 1 ATOM 2364 C CD1 . TRP A 1 318 ? 211.576 -46.106 112.474 1.00 26.83 ? 346 TRP A CD1 1 ATOM 2365 C CD2 . TRP A 1 318 ? 212.306 -45.268 114.419 1.00 42.13 ? 346 TRP A CD2 1 ATOM 2366 N NE1 . TRP A 1 318 ? 210.481 -45.712 113.198 1.00 29.90 ? 346 TRP A NE1 1 ATOM 2367 C CE2 . TRP A 1 318 ? 210.902 -45.188 114.393 1.00 41.57 ? 346 TRP A CE2 1 ATOM 2368 C CE3 . TRP A 1 318 ? 212.989 -44.787 115.541 1.00 49.43 ? 346 TRP A CE3 1 ATOM 2369 C CZ2 . TRP A 1 318 ? 210.167 -44.662 115.454 1.00 45.03 ? 346 TRP A CZ2 1 ATOM 2370 C CZ3 . TRP A 1 318 ? 212.259 -44.265 116.589 1.00 56.53 ? 346 TRP A CZ3 1 ATOM 2371 C CH2 . TRP A 1 318 ? 210.864 -44.209 116.541 1.00 56.89 ? 346 TRP A CH2 1 ATOM 2372 N N . GLN A 1 319 ? 216.417 -46.771 110.509 1.00 37.65 ? 347 GLN A N 1 ATOM 2373 C CA . GLN A 1 319 ? 217.861 -46.820 110.373 1.00 50.88 ? 347 GLN A CA 1 ATOM 2374 C C . GLN A 1 319 ? 218.401 -45.407 110.493 1.00 55.73 ? 347 GLN A C 1 ATOM 2375 O O . GLN A 1 319 ? 217.663 -44.429 110.345 1.00 47.84 ? 347 GLN A O 1 ATOM 2376 C CB . GLN A 1 319 ? 218.297 -47.382 109.018 1.00 64.42 ? 347 GLN A CB 1 ATOM 2377 C CG . GLN A 1 319 ? 217.919 -48.801 108.731 1.00 76.43 ? 347 GLN A CG 1 ATOM 2378 C CD . GLN A 1 319 ? 218.429 -49.235 107.380 1.00 86.97 ? 347 GLN A CD 1 ATOM 2379 O OE1 . GLN A 1 319 ? 218.995 -48.433 106.638 1.00 92.38 ? 347 GLN A OE1 1 ATOM 2380 N NE2 . GLN A 1 319 ? 218.239 -50.506 107.050 1.00 91.63 ? 347 GLN A NE2 1 ATOM 2381 N N . ASN A 1 320 ? 219.705 -45.301 110.716 1.00 45.12 ? 348 ASN A N 1 ATOM 2382 C CA . ASN A 1 320 ? 220.384 -44.024 110.569 1.00 54.39 ? 348 ASN A CA 1 ATOM 2383 C C . ASN A 1 320 ? 221.137 -44.021 109.240 1.00 61.66 ? 348 ASN A C 1 ATOM 2384 O O . ASN A 1 320 ? 221.483 -45.075 108.701 1.00 61.84 ? 348 ASN A O 1 ATOM 2385 C CB . ASN A 1 320 ? 221.319 -43.739 111.751 1.00 77.80 ? 348 ASN A CB 1 ATOM 2386 C CG . ASN A 1 320 ? 222.453 -44.741 111.873 1.00 89.35 ? 348 ASN A CG 1 ATOM 2387 O OD1 . ASN A 1 320 ? 222.385 -45.851 111.358 1.00 83.97 ? 348 ASN A OD1 1 ATOM 2388 N ND2 . ASN A 1 320 ? 223.505 -44.343 112.569 1.00 104.33 ? 348 ASN A ND2 1 ATOM 2389 N N . ARG A 1 321 ? 221.291 -42.835 108.654 1.00 76.98 ? 349 ARG A N 1 ATOM 2390 C CA . ARG A 1 321 ? 221.944 -42.717 107.359 1.00 70.97 ? 349 ARG A CA 1 ATOM 2391 C C . ARG A 1 321 ? 222.751 -41.430 107.305 1.00 70.60 ? 349 ARG A C 1 ATOM 2392 O O . ARG A 1 321 ? 222.540 -40.507 108.095 1.00 70.05 ? 349 ARG A O 1 ATOM 2393 C CB . ARG A 1 321 ? 220.933 -42.750 106.212 1.00 54.77 ? 349 ARG A CB 1 ATOM 2394 C CG . ARG A 1 321 ? 220.223 -44.071 106.069 1.00 47.89 ? 349 ARG A CG 1 ATOM 2395 C CD . ARG A 1 321 ? 221.107 -45.108 105.438 1.00 54.67 ? 349 ARG A CD 1 ATOM 2396 N NE . ARG A 1 321 ? 220.616 -45.410 104.107 1.00 54.79 ? 349 ARG A NE 1 ATOM 2397 C CZ . ARG A 1 321 ? 219.578 -46.204 103.878 1.00 60.92 ? 349 ARG A CZ 1 ATOM 2398 N NH1 . ARG A 1 321 ? 218.946 -46.775 104.899 1.00 54.90 ? 349 ARG A NH1 1 ATOM 2399 N NH2 . ARG A 1 321 ? 219.169 -46.427 102.636 1.00 67.68 ? 349 ARG A NH2 1 ATOM 2400 N N . ASP A 1 322 ? 223.695 -41.386 106.365 1.00 63.78 ? 350 ASP A N 1 ATOM 2401 C CA . ASP A 1 322 ? 224.426 -40.153 106.100 1.00 69.74 ? 350 ASP A CA 1 ATOM 2402 C C . ASP A 1 322 ? 223.452 -39.076 105.642 1.00 57.05 ? 350 ASP A C 1 ATOM 2403 O O . ASP A 1 322 ? 222.738 -39.254 104.650 1.00 48.68 ? 350 ASP A O 1 ATOM 2404 C CB . ASP A 1 322 ? 225.504 -40.394 105.044 1.00 72.86 ? 350 ASP A CB 1 ATOM 2405 C CG . ASP A 1 322 ? 226.183 -39.110 104.591 1.00 86.22 ? 350 ASP A CG 1 ATOM 2406 O OD1 . ASP A 1 322 ? 226.227 -38.125 105.361 1.00 84.41 ? 350 ASP A OD1 1 ATOM 2407 O OD2 . ASP A 1 322 ? 226.684 -39.087 103.452 1.00 101.32 ? 350 ASP A OD2 1 ATOM 2408 N N . CYS A 1 323 ? 223.452 -37.946 106.343 1.00 59.24 ? 351 CYS A N 1 ATOM 2409 C CA . CYS A 1 323 ? 222.424 -36.931 106.153 1.00 60.73 ? 351 CYS A CA 1 ATOM 2410 C C . CYS A 1 323 ? 222.458 -36.271 104.786 1.00 58.25 ? 351 CYS A C 1 ATOM 2411 O O . CYS A 1 323 ? 221.535 -35.515 104.470 1.00 56.88 ? 351 CYS A O 1 ATOM 2412 C CB . CYS A 1 323 ? 222.555 -35.847 107.223 1.00 66.90 ? 351 CYS A CB 1 ATOM 2413 S SG . CYS A 1 323 ? 222.482 -36.502 108.876 1.00 74.28 ? 351 CYS A SG 1 ATOM 2414 N N . SER A 1 324 ? 223.494 -36.491 103.992 1.00 62.44 ? 352 SER A N 1 ATOM 2415 C CA . SER A 1 324 ? 223.601 -35.795 102.724 1.00 58.83 ? 352 SER A CA 1 ATOM 2416 C C . SER A 1 324 ? 223.010 -36.582 101.566 1.00 50.13 ? 352 SER A C 1 ATOM 2417 O O . SER A 1 324 ? 222.883 -36.030 100.469 1.00 51.30 ? 352 SER A O 1 ATOM 2418 C CB . SER A 1 324 ? 225.066 -35.461 102.434 1.00 68.70 ? 352 SER A CB 1 ATOM 2419 O OG . SER A 1 324 ? 225.835 -36.644 102.332 1.00 73.58 ? 352 SER A OG 1 ATOM 2420 N N . ILE A 1 325 ? 222.646 -37.851 101.771 1.00 60.07 ? 353 ILE A N 1 ATOM 2421 C CA . ILE A 1 325 ? 222.054 -38.616 100.682 1.00 60.82 ? 353 ILE A CA 1 ATOM 2422 C C . ILE A 1 325 ? 220.650 -38.088 100.407 1.00 46.77 ? 353 ILE A C 1 ATOM 2423 O O . ILE A 1 325 ? 219.981 -37.544 101.296 1.00 46.35 ? 353 ILE A O 1 ATOM 2424 C CB . ILE A 1 325 ? 222.048 -40.122 100.999 1.00 69.83 ? 353 ILE A CB 1 ATOM 2425 C CG1 . ILE A 1 325 ? 221.042 -40.453 102.096 1.00 67.80 ? 353 ILE A CG1 1 ATOM 2426 C CG2 . ILE A 1 325 ? 223.435 -40.578 101.422 1.00 81.86 ? 353 ILE A CG2 1 ATOM 2427 C CD1 . ILE A 1 325 ? 221.070 -41.913 102.502 1.00 69.35 ? 353 ILE A CD1 1 ATOM 2428 N N . ALA A 1 326 ? 220.210 -38.193 99.156 1.00 54.10 ? 354 ALA A N 1 ATOM 2429 C CA . ALA A 1 326 ? 218.941 -37.600 98.751 1.00 44.11 ? 354 ALA A CA 1 ATOM 2430 C C . ALA A 1 326 ? 217.855 -38.666 98.835 1.00 41.43 ? 354 ALA A C 1 ATOM 2431 O O . ALA A 1 326 ? 217.934 -39.697 98.156 1.00 47.47 ? 354 ALA A O 1 ATOM 2432 C CB . ALA A 1 326 ? 219.016 -36.993 97.345 1.00 28.34 ? 354 ALA A CB 1 ATOM 2433 N N . LEU A 1 327 ? 216.851 -38.416 99.664 1.00 40.97 ? 355 LEU A N 1 ATOM 2434 C CA . LEU A 1 327 ? 215.784 -39.369 99.914 1.00 41.23 ? 355 LEU A CA 1 ATOM 2435 C C . LEU A 1 327 ? 214.459 -38.625 99.962 1.00 33.00 ? 355 LEU A C 1 ATOM 2436 O O . LEU A 1 327 ? 214.432 -37.394 100.080 1.00 30.00 ? 355 LEU A O 1 ATOM 2437 C CB . LEU A 1 327 ? 215.986 -40.130 101.232 1.00 45.35 ? 355 LEU A CB 1 ATOM 2438 C CG . LEU A 1 327 ? 217.127 -41.131 101.351 1.00 48.81 ? 355 LEU A CG 1 ATOM 2439 C CD1 . LEU A 1 327 ? 217.367 -41.453 102.812 1.00 51.26 ? 355 LEU A CD1 1 ATOM 2440 C CD2 . LEU A 1 327 ? 216.788 -42.383 100.575 1.00 45.17 ? 355 LEU A CD2 1 ATOM 2441 N N . PRO A 1 328 ? 213.350 -39.343 99.856 1.00 30.46 ? 356 PRO A N 1 ATOM 2442 C CA . PRO A 1 328 ? 212.064 -38.719 100.190 1.00 24.11 ? 356 PRO A CA 1 ATOM 2443 C C . PRO A 1 328 ? 211.969 -38.488 101.694 1.00 27.22 ? 356 PRO A C 1 ATOM 2444 O O . PRO A 1 328 ? 212.857 -38.880 102.459 1.00 31.01 ? 356 PRO A O 1 ATOM 2445 C CB . PRO A 1 328 ? 211.021 -39.724 99.665 1.00 24.35 ? 356 PRO A CB 1 ATOM 2446 C CG . PRO A 1 328 ? 211.766 -40.976 99.357 1.00 25.15 ? 356 PRO A CG 1 ATOM 2447 C CD . PRO A 1 328 ? 213.206 -40.620 99.147 1.00 24.31 ? 356 PRO A CD 1 ATOM 2448 N N . TYR A 1 329 ? 210.898 -37.843 102.134 1.00 21.27 ? 357 TYR A N 1 ATOM 2449 C CA . TYR A 1 329 ? 210.829 -37.389 103.511 1.00 25.08 ? 357 TYR A CA 1 ATOM 2450 C C . TYR A 1 329 ? 209.368 -37.227 103.858 1.00 20.58 ? 357 TYR A C 1 ATOM 2451 O O . TYR A 1 329 ? 208.530 -37.053 102.977 1.00 18.08 ? 357 TYR A O 1 ATOM 2452 C CB . TYR A 1 329 ? 211.597 -36.073 103.711 1.00 22.98 ? 357 TYR A CB 1 ATOM 2453 C CG . TYR A 1 329 ? 211.097 -34.929 102.851 1.00 31.24 ? 357 TYR A CG 1 ATOM 2454 C CD1 . TYR A 1 329 ? 211.419 -34.849 101.491 1.00 23.27 ? 357 TYR A CD1 1 ATOM 2455 C CD2 . TYR A 1 329 ? 210.316 -33.919 103.391 1.00 31.64 ? 357 TYR A CD2 1 ATOM 2456 C CE1 . TYR A 1 329 ? 210.975 -33.777 100.706 1.00 24.48 ? 357 TYR A CE1 1 ATOM 2457 C CE2 . TYR A 1 329 ? 209.873 -32.845 102.610 1.00 22.93 ? 357 TYR A CE2 1 ATOM 2458 C CZ . TYR A 1 329 ? 210.197 -32.787 101.284 1.00 24.92 ? 357 TYR A CZ 1 ATOM 2459 O OH . TYR A 1 329 ? 209.726 -31.743 100.525 1.00 27.60 ? 357 TYR A OH 1 ATOM 2460 N N . VAL A 1 330 ? 209.077 -37.284 105.155 1.00 20.24 ? 358 VAL A N 1 ATOM 2461 C CA . VAL A 1 330 ? 207.726 -37.111 105.673 1.00 19.51 ? 358 VAL A CA 1 ATOM 2462 C C . VAL A 1 330 ? 207.673 -35.820 106.478 1.00 27.10 ? 358 VAL A C 1 ATOM 2463 O O . VAL A 1 330 ? 208.482 -35.623 107.386 1.00 36.37 ? 358 VAL A O 1 ATOM 2464 C CB . VAL A 1 330 ? 207.288 -38.278 106.568 1.00 21.36 ? 358 VAL A CB 1 ATOM 2465 C CG1 . VAL A 1 330 ? 205.787 -38.233 106.730 1.00 20.06 ? 358 VAL A CG1 1 ATOM 2466 C CG2 . VAL A 1 330 ? 207.808 -39.614 106.054 1.00 22.80 ? 358 VAL A CG2 1 ATOM 2467 N N . CYS A 1 331 ? 206.696 -34.966 106.169 1.00 21.28 ? 359 CYS A N 1 ATOM 2468 C CA . CYS A 1 331 ? 206.363 -33.804 106.981 1.00 27.34 ? 359 CYS A CA 1 ATOM 2469 C C . CYS A 1 331 ? 205.138 -34.098 107.838 1.00 38.24 ? 359 CYS A C 1 ATOM 2470 O O . CYS A 1 331 ? 204.265 -34.895 107.480 1.00 36.35 ? 359 CYS A O 1 ATOM 2471 C CB . CYS A 1 331 ? 206.100 -32.564 106.131 1.00 25.15 ? 359 CYS A CB 1 ATOM 2472 S SG . CYS A 1 331 ? 207.477 -32.082 105.077 1.00 34.94 ? 359 CYS A SG 1 ATOM 2473 N N . LYS A 1 332 ? 205.114 -33.469 109.000 1.00 29.94 ? 360 LYS A N 1 ATOM 2474 C CA . LYS A 1 332 ? 204.039 -33.597 109.972 1.00 32.59 ? 360 LYS A CA 1 ATOM 2475 C C . LYS A 1 332 ? 203.654 -32.206 110.457 1.00 39.60 ? 360 LYS A C 1 ATOM 2476 O O . LYS A 1 332 ? 204.521 -31.343 110.607 1.00 42.71 ? 360 LYS A O 1 ATOM 2477 C CB . LYS A 1 332 ? 204.498 -34.461 111.127 1.00 32.75 ? 360 LYS A CB 1 ATOM 2478 C CG . LYS A 1 332 ? 203.658 -34.422 112.387 1.00 46.60 ? 360 LYS A CG 1 ATOM 2479 C CD . LYS A 1 332 ? 204.141 -35.541 113.309 1.00 51.64 ? 360 LYS A CD 1 ATOM 2480 C CE . LYS A 1 332 ? 203.566 -35.455 114.710 1.00 59.53 ? 360 LYS A CE 1 ATOM 2481 N NZ . LYS A 1 332 ? 204.338 -36.340 115.625 1.00 53.26 ? 360 LYS A NZ 1 ATOM 2482 N N . LYS A 1 333 ? 202.358 -31.975 110.661 1.00 40.01 ? 361 LYS A N 1 ATOM 2483 C CA . LYS A 1 333 ? 201.925 -30.815 111.433 1.00 51.50 ? 361 LYS A CA 1 ATOM 2484 C C . LYS A 1 333 ? 200.645 -31.160 112.180 1.00 57.98 ? 361 LYS A C 1 ATOM 2485 O O . LYS A 1 333 ? 199.911 -32.081 111.809 1.00 48.40 ? 361 LYS A O 1 ATOM 2486 C CB . LYS A 1 333 ? 201.713 -29.563 110.562 1.00 48.46 ? 361 LYS A CB 1 ATOM 2487 C CG . LYS A 1 333 ? 200.453 -29.585 109.718 1.00 44.89 ? 361 LYS A CG 1 ATOM 2488 C CD . LYS A 1 333 ? 200.489 -28.521 108.637 1.00 38.23 ? 361 LYS A CD 1 ATOM 2489 C CE . LYS A 1 333 ? 199.392 -28.748 107.605 1.00 42.61 ? 361 LYS A CE 1 ATOM 2490 N NZ . LYS A 1 333 ? 199.193 -27.586 106.699 1.00 43.06 ? 361 LYS A NZ 1 ATOM 2491 N N . LYS A 1 334 ? 200.398 -30.396 113.248 1.00 52.59 ? 362 LYS A N 1 ATOM 2492 C CA . LYS A 1 334 ? 199.236 -30.553 114.126 1.00 58.87 ? 362 LYS A CA 1 ATOM 2493 C C . LYS A 1 334 ? 198.562 -29.192 114.237 1.00 78.24 ? 362 LYS A C 1 ATOM 2494 O O . LYS A 1 334 ? 198.747 -28.472 115.227 1.00 85.89 ? 362 LYS A O 1 ATOM 2495 C CB . LYS A 1 334 ? 199.647 -31.094 115.495 1.00 53.62 ? 362 LYS A CB 1 ATOM 2496 C CG . LYS A 1 334 ? 200.182 -32.514 115.434 1.00 64.85 ? 362 LYS A CG 1 ATOM 2497 C CD . LYS A 1 334 ? 200.471 -33.098 116.810 1.00 75.90 ? 362 LYS A CD 1 ATOM 2498 C CE . LYS A 1 334 ? 201.795 -32.601 117.353 1.00 85.04 ? 362 LYS A CE 1 ATOM 2499 N NZ . LYS A 1 334 ? 202.135 -33.246 118.647 1.00 92.56 ? 362 LYS A NZ 1 ATOM 2500 N N . PRO A 1 335 ? 197.795 -28.795 113.217 1.00 74.57 ? 363 PRO A N 1 ATOM 2501 C CA . PRO A 1 335 ? 197.280 -27.412 113.182 1.00 85.84 ? 363 PRO A CA 1 ATOM 2502 C C . PRO A 1 335 ? 196.196 -27.114 114.207 1.00 103.63 ? 363 PRO A C 1 ATOM 2503 O O . PRO A 1 335 ? 196.144 -25.994 114.734 1.00 113.06 ? 363 PRO A O 1 ATOM 2504 C CB . PRO A 1 335 ? 196.757 -27.283 111.748 1.00 73.18 ? 363 PRO A CB 1 ATOM 2505 C CG . PRO A 1 335 ? 196.389 -28.677 111.349 1.00 64.77 ? 363 PRO A CG 1 ATOM 2506 C CD . PRO A 1 335 ? 197.372 -29.584 112.046 1.00 61.80 ? 363 PRO A CD 1 ATOM 2507 N N . ASN A 1 336 ? 195.324 -28.079 114.504 1.00 91.48 ? 364 ASN A N 1 ATOM 2508 C CA . ASN A 1 336 ? 194.198 -27.860 115.409 1.00 103.45 ? 364 ASN A CA 1 ATOM 2509 C C . ASN A 1 336 ? 194.585 -27.984 116.879 1.00 103.97 ? 364 ASN A C 1 ATOM 2510 O O . ASN A 1 336 ? 193.703 -27.903 117.742 1.00 111.55 ? 364 ASN A O 1 ATOM 2511 C CB . ASN A 1 336 ? 193.055 -28.841 115.091 1.00 106.26 ? 364 ASN A CB 1 ATOM 2512 C CG . ASN A 1 336 ? 192.162 -28.369 113.941 1.00 105.33 ? 364 ASN A CG 1 ATOM 2513 O OD1 . ASN A 1 336 ? 192.419 -27.335 113.316 1.00 108.03 ? 364 ASN A OD1 1 ATOM 2514 N ND2 . ASN A 1 336 ? 191.108 -29.137 113.655 1.00 99.76 ? 364 ASN A ND2 1 ATOM 2515 N N . ALA A 1 337 ? 195.863 -28.197 117.182 1.00 96.65 ? 365 ALA A N 1 ATOM 2516 C CA . ALA A 1 337 ? 196.335 -28.311 118.558 1.00 100.72 ? 365 ALA A CA 1 ATOM 2517 C C . ALA A 1 337 ? 196.694 -26.946 119.143 1.00 109.69 ? 365 ALA A C 1 ATOM 2518 O O . ALA A 1 337 ? 196.973 -26.824 120.337 1.00 113.14 ? 365 ALA A O 1 ATOM 2519 C CB . ALA A 1 337 ? 197.534 -29.249 118.627 1.00 90.02 ? 365 ALA A CB 1 ATOM 2520 N N . ARG A 1 367 ? 211.985 -38.238 148.228 1.00 109.72 ? 395 ARG A N 1 ATOM 2521 C CA . ARG A 1 367 ? 213.201 -38.471 149.006 1.00 114.55 ? 395 ARG A CA 1 ATOM 2522 C C . ARG A 1 367 ? 213.780 -39.856 148.712 1.00 115.61 ? 395 ARG A C 1 ATOM 2523 O O . ARG A 1 367 ? 213.068 -40.750 148.264 1.00 109.18 ? 395 ARG A O 1 ATOM 2524 C CB . ARG A 1 367 ? 212.928 -38.327 150.497 1.00 127.97 ? 395 ARG A CB 1 ATOM 2525 C CG . ARG A 1 367 ? 212.279 -39.546 151.092 1.00 127.48 ? 395 ARG A CG 1 ATOM 2526 C CD . ARG A 1 367 ? 212.862 -39.872 152.455 1.00 132.68 ? 395 ARG A CD 1 ATOM 2527 N NE . ARG A 1 367 ? 212.925 -41.316 152.662 1.00 143.41 ? 395 ARG A NE 1 ATOM 2528 C CZ . ARG A 1 367 ? 211.873 -42.075 152.947 1.00 141.10 ? 395 ARG A CZ 1 ATOM 2529 N NH1 . ARG A 1 367 ? 210.670 -41.529 153.060 1.00 141.97 ? 395 ARG A NH1 1 ATOM 2530 N NH2 . ARG A 1 367 ? 212.023 -43.381 153.117 1.00 137.58 ? 395 ARG A NH2 1 ATOM 2531 N N . LEU A 1 368 ? 215.068 -40.030 148.998 1.00 105.57 ? 396 LEU A N 1 ATOM 2532 C CA . LEU A 1 368 ? 215.838 -41.117 148.419 1.00 107.54 ? 396 LEU A CA 1 ATOM 2533 C C . LEU A 1 368 ? 215.553 -42.434 149.135 1.00 111.72 ? 396 LEU A C 1 ATOM 2534 O O . LEU A 1 368 ? 214.885 -42.488 150.173 1.00 113.62 ? 396 LEU A O 1 ATOM 2535 C CB . LEU A 1 368 ? 217.332 -40.775 148.491 1.00 109.50 ? 396 LEU A CB 1 ATOM 2536 C CG . LEU A 1 368 ? 218.500 -41.697 148.112 1.00 113.98 ? 396 LEU A CG 1 ATOM 2537 C CD1 . LEU A 1 368 ? 218.534 -41.994 146.626 1.00 107.05 ? 396 LEU A CD1 1 ATOM 2538 C CD2 . LEU A 1 368 ? 219.818 -41.081 148.558 1.00 127.56 ? 396 LEU A CD2 1 ATOM 2539 N N . GLN A 1 369 ? 216.083 -43.511 148.556 1.00 103.23 ? 397 GLN A N 1 ATOM 2540 C CA . GLN A 1 369 ? 216.211 -44.807 149.211 1.00 104.72 ? 397 GLN A CA 1 ATOM 2541 C C . GLN A 1 369 ? 217.617 -45.301 148.906 1.00 108.39 ? 397 GLN A C 1 ATOM 2542 O O . GLN A 1 369 ? 217.915 -45.648 147.759 1.00 117.30 ? 397 GLN A O 1 ATOM 2543 C CB . GLN A 1 369 ? 215.159 -45.796 148.704 1.00 101.58 ? 397 GLN A CB 1 ATOM 2544 C CG . GLN A 1 369 ? 213.726 -45.365 148.943 1.00 100.98 ? 397 GLN A CG 1 ATOM 2545 C CD . GLN A 1 369 ? 212.718 -46.364 148.402 1.00 103.80 ? 397 GLN A CD 1 ATOM 2546 O OE1 . GLN A 1 369 ? 211.643 -46.536 148.972 1.00 104.18 ? 397 GLN A OE1 1 ATOM 2547 N NE2 . GLN A 1 369 ? 213.057 -47.021 147.289 1.00 102.62 ? 397 GLN A NE2 1 ATOM 2548 N N . ALA A 1 370 ? 218.472 -45.365 149.925 1.00 109.52 ? 398 ALA A N 1 ATOM 2549 C CA . ALA A 1 370 ? 219.863 -45.722 149.683 1.00 110.58 ? 398 ALA A CA 1 ATOM 2550 C C . ALA A 1 370 ? 220.080 -47.225 149.597 1.00 110.05 ? 398 ALA A C 1 ATOM 2551 O O . ALA A 1 370 ? 221.138 -47.658 149.126 1.00 114.48 ? 398 ALA A O 1 ATOM 2552 C CB . ALA A 1 370 ? 220.757 -45.132 150.775 1.00 115.59 ? 398 ALA A CB 1 ATOM 2553 N N . GLU A 1 371 ? 219.104 -48.023 150.017 1.00 116.01 ? 399 GLU A N 1 ATOM 2554 C CA . GLU A 1 371 ? 219.278 -49.468 150.046 1.00 115.75 ? 399 GLU A CA 1 ATOM 2555 C C . GLU A 1 371 ? 219.226 -50.015 148.623 1.00 106.40 ? 399 GLU A C 1 ATOM 2556 O O . GLU A 1 371 ? 218.223 -49.842 147.924 1.00 101.81 ? 399 GLU A O 1 ATOM 2557 C CB . GLU A 1 371 ? 218.199 -50.119 150.916 1.00 118.51 ? 399 GLU A CB 1 ATOM 2558 C CG . GLU A 1 371 ? 217.442 -49.171 151.859 1.00 124.49 ? 399 GLU A CG 1 ATOM 2559 C CD . GLU A 1 371 ? 216.296 -48.427 151.177 1.00 114.29 ? 399 GLU A CD 1 ATOM 2560 O OE1 . GLU A 1 371 ? 216.196 -47.193 151.346 1.00 116.53 ? 399 GLU A OE1 1 ATOM 2561 O OE2 . GLU A 1 371 ? 215.496 -49.078 150.470 1.00 107.60 ? 399 GLU A OE2 1 ATOM 2562 N N . LYS A 1 372 ? 220.296 -50.692 148.205 1.00 113.69 ? 400 LYS A N 1 ATOM 2563 C CA . LYS A 1 372 ? 220.379 -51.217 146.848 1.00 102.27 ? 400 LYS A CA 1 ATOM 2564 C C . LYS A 1 372 ? 219.363 -52.338 146.665 1.00 99.50 ? 400 LYS A C 1 ATOM 2565 O O . LYS A 1 372 ? 219.370 -53.320 147.413 1.00 102.41 ? 400 LYS A O 1 ATOM 2566 C CB . LYS A 1 372 ? 221.789 -51.734 146.554 1.00 106.53 ? 400 LYS A CB 1 ATOM 2567 C CG . LYS A 1 372 ? 222.908 -50.703 146.653 1.00 113.46 ? 400 LYS A CG 1 ATOM 2568 C CD . LYS A 1 372 ? 224.245 -51.311 146.231 1.00 117.27 ? 400 LYS A CD 1 ATOM 2569 C CE . LYS A 1 372 ? 225.420 -50.400 146.566 1.00 127.47 ? 400 LYS A CE 1 ATOM 2570 N NZ . LYS A 1 372 ? 225.343 -49.080 145.881 1.00 121.98 ? 400 LYS A NZ 1 ATOM 2571 N N . ARG A 1 373 ? 218.495 -52.191 145.670 1.00 103.21 ? 401 ARG A N 1 ATOM 2572 C CA . ARG A 1 373 ? 217.557 -53.238 145.298 1.00 96.53 ? 401 ARG A CA 1 ATOM 2573 C C . ARG A 1 373 ? 217.358 -53.193 143.791 1.00 89.15 ? 401 ARG A C 1 ATOM 2574 O O . ARG A 1 373 ? 217.739 -52.230 143.122 1.00 87.81 ? 401 ARG A O 1 ATOM 2575 C CB . ARG A 1 373 ? 216.218 -53.093 146.030 1.00 97.21 ? 401 ARG A CB 1 ATOM 2576 C CG . ARG A 1 373 ? 216.225 -53.585 147.468 1.00 118.07 ? 401 ARG A CG 1 ATOM 2577 C CD . ARG A 1 373 ? 214.864 -53.383 148.092 1.00 122.93 ? 401 ARG A CD 1 ATOM 2578 N NE . ARG A 1 373 ? 214.329 -52.076 147.731 1.00 118.55 ? 401 ARG A NE 1 ATOM 2579 C CZ . ARG A 1 373 ? 214.649 -50.948 148.354 1.00 134.61 ? 401 ARG A CZ 1 ATOM 2580 N NH1 . ARG A 1 373 ? 215.499 -50.974 149.369 1.00 151.73 ? 401 ARG A NH1 1 ATOM 2581 N NH2 . ARG A 1 373 ? 214.124 -49.793 147.965 1.00 130.58 ? 401 ARG A NH2 1 ATOM 2582 N N . SER A 1 374 ? 216.768 -54.260 143.260 1.00 111.61 ? 402 SER A N 1 ATOM 2583 C CA . SER A 1 374 ? 216.354 -54.267 141.866 1.00 92.55 ? 402 SER A CA 1 ATOM 2584 C C . SER A 1 374 ? 215.298 -53.193 141.630 1.00 90.68 ? 402 SER A C 1 ATOM 2585 O O . SER A 1 374 ? 214.550 -52.824 142.542 1.00 92.36 ? 402 SER A O 1 ATOM 2586 C CB . SER A 1 374 ? 215.788 -55.632 141.490 1.00 91.30 ? 402 SER A CB 1 ATOM 2587 O OG . SER A 1 374 ? 214.526 -55.826 142.106 1.00 91.59 ? 402 SER A OG 1 ATOM 2588 N N . TRP A 1 375 ? 215.248 -52.687 140.388 1.00 128.19 ? 403 TRP A N 1 ATOM 2589 C CA . TRP A 1 375 ? 214.229 -51.708 140.015 1.00 113.93 ? 403 TRP A CA 1 ATOM 2590 C C . TRP A 1 375 ? 212.849 -52.181 140.406 1.00 112.80 ? 403 TRP A C 1 ATOM 2591 O O . TRP A 1 375 ? 212.047 -51.404 140.934 1.00 103.08 ? 403 TRP A O 1 ATOM 2592 C CB . TRP A 1 375 ? 214.234 -51.441 138.509 1.00 88.85 ? 403 TRP A CB 1 ATOM 2593 C CG . TRP A 1 375 ? 213.199 -50.390 138.057 1.00 77.16 ? 403 TRP A CG 1 ATOM 2594 C CD1 . TRP A 1 375 ? 213.447 -49.074 137.780 1.00 73.51 ? 403 TRP A CD1 1 ATOM 2595 C CD2 . TRP A 1 375 ? 211.783 -50.579 137.827 1.00 69.73 ? 403 TRP A CD2 1 ATOM 2596 N NE1 . TRP A 1 375 ? 212.289 -48.438 137.400 1.00 68.32 ? 403 TRP A NE1 1 ATOM 2597 C CE2 . TRP A 1 375 ? 211.256 -49.338 137.417 1.00 67.56 ? 403 TRP A CE2 1 ATOM 2598 C CE3 . TRP A 1 375 ? 210.918 -51.673 137.919 1.00 68.84 ? 403 TRP A CE3 1 ATOM 2599 C CZ2 . TRP A 1 375 ? 209.902 -49.161 137.104 1.00 65.97 ? 403 TRP A CZ2 1 ATOM 2600 C CZ3 . TRP A 1 375 ? 209.570 -51.491 137.616 1.00 67.05 ? 403 TRP A CZ3 1 ATOM 2601 C CH2 . TRP A 1 375 ? 209.080 -50.246 137.209 1.00 65.77 ? 403 TRP A CH2 1 ATOM 2602 N N . GLN A 1 376 ? 212.555 -53.453 140.135 1.00 96.36 ? 404 GLN A N 1 ATOM 2603 C CA . GLN A 1 376 ? 211.209 -53.987 140.260 1.00 100.27 ? 404 GLN A CA 1 ATOM 2604 C C . GLN A 1 376 ? 210.600 -53.529 141.560 1.00 110.23 ? 404 GLN A C 1 ATOM 2605 O O . GLN A 1 376 ? 209.645 -52.751 141.575 1.00 114.24 ? 404 GLN A O 1 ATOM 2606 C CB . GLN A 1 376 ? 211.202 -55.511 140.213 1.00 106.31 ? 404 GLN A CB 1 ATOM 2607 C CG . GLN A 1 376 ? 210.295 -56.064 139.155 1.00 96.18 ? 404 GLN A CG 1 ATOM 2608 C CD . GLN A 1 376 ? 210.910 -55.895 137.798 1.00 79.43 ? 404 GLN A CD 1 ATOM 2609 O OE1 . GLN A 1 376 ? 212.119 -55.676 137.698 1.00 76.86 ? 404 GLN A OE1 1 ATOM 2610 N NE2 . GLN A 1 376 ? 210.094 -55.973 136.740 1.00 68.21 ? 404 GLN A NE2 1 ATOM 2611 N N . GLU A 1 377 ? 211.131 -54.037 142.657 1.00 95.42 ? 405 GLU A N 1 ATOM 2612 C CA . GLU A 1 377 ? 210.539 -53.773 143.946 1.00 96.47 ? 405 GLU A CA 1 ATOM 2613 C C . GLU A 1 377 ? 211.299 -52.737 144.763 1.00 108.82 ? 405 GLU A C 1 ATOM 2614 O O . GLU A 1 377 ? 211.003 -52.561 145.949 1.00 127.09 ? 405 GLU A O 1 ATOM 2615 C CB . GLU A 1 377 ? 210.298 -55.097 144.650 1.00 110.35 ? 405 GLU A CB 1 ATOM 2616 C CG . GLU A 1 377 ? 209.288 -55.965 143.796 1.00 122.08 ? 405 GLU A CG 1 ATOM 2617 C CD . GLU A 1 377 ? 208.397 -55.159 142.761 1.00 100.72 ? 405 GLU A CD 1 ATOM 2618 O OE1 . GLU A 1 377 ? 207.778 -54.115 143.099 1.00 98.68 ? 405 GLU A OE1 1 ATOM 2619 O OE2 . GLU A 1 377 ? 208.326 -55.567 141.568 1.00 80.14 ? 405 GLU A OE2 1 ATOM 2620 N N . SER A 1 378 ? 212.285 -52.060 144.165 1.00 89.65 ? 406 SER A N 1 ATOM 2621 C CA . SER A 1 378 ? 212.495 -50.667 144.551 1.00 90.86 ? 406 SER A CA 1 ATOM 2622 C C . SER A 1 378 ? 211.198 -49.887 144.409 1.00 89.51 ? 406 SER A C 1 ATOM 2623 O O . SER A 1 378 ? 210.965 -48.919 145.135 1.00 91.41 ? 406 SER A O 1 ATOM 2624 C CB . SER A 1 378 ? 213.581 -50.007 143.703 1.00 89.61 ? 406 SER A CB 1 ATOM 2625 O OG . SER A 1 378 ? 214.849 -50.578 143.943 1.00 91.44 ? 406 SER A OG 1 ATOM 2626 N N . LYS A 1 379 ? 210.340 -50.301 143.480 1.00 84.32 ? 407 LYS A N 1 ATOM 2627 C CA . LYS A 1 379 ? 209.014 -49.711 143.365 1.00 82.38 ? 407 LYS A CA 1 ATOM 2628 C C . LYS A 1 379 ? 208.119 -50.166 144.505 1.00 87.58 ? 407 LYS A C 1 ATOM 2629 O O . LYS A 1 379 ? 207.399 -49.358 145.096 1.00 91.19 ? 407 LYS A O 1 ATOM 2630 C CB . LYS A 1 379 ? 208.395 -50.079 142.014 1.00 78.58 ? 407 LYS A CB 1 ATOM 2631 C CG . LYS A 1 379 ? 207.179 -49.260 141.645 1.00 77.13 ? 407 LYS A CG 1 ATOM 2632 C CD . LYS A 1 379 ? 206.481 -49.832 140.434 1.00 73.86 ? 407 LYS A CD 1 ATOM 2633 C CE . LYS A 1 379 ? 205.410 -50.825 140.823 1.00 74.48 ? 407 LYS A CE 1 ATOM 2634 N NZ . LYS A 1 379 ? 204.910 -51.546 139.613 1.00 71.53 ? 407 LYS A NZ 1 ATOM 2635 N N . LYS A 1 380 ? 208.141 -51.468 144.815 1.00 83.94 ? 408 LYS A N 1 ATOM 2636 C CA . LYS A 1 380 ? 207.406 -51.986 145.970 1.00 86.67 ? 408 LYS A CA 1 ATOM 2637 C C . LYS A 1 380 ? 207.707 -51.187 147.227 1.00 94.57 ? 408 LYS A C 1 ATOM 2638 O O . LYS A 1 380 ? 206.801 -50.887 148.011 1.00 99.61 ? 408 LYS A O 1 ATOM 2639 C CB . LYS A 1 380 ? 207.749 -53.455 146.207 1.00 87.54 ? 408 LYS A CB 1 ATOM 2640 C CG . LYS A 1 380 ? 206.652 -54.455 145.891 1.00 86.35 ? 408 LYS A CG 1 ATOM 2641 C CD . LYS A 1 380 ? 207.050 -55.838 146.438 1.00 91.87 ? 408 LYS A CD 1 ATOM 2642 C CE . LYS A 1 380 ? 206.474 -56.985 145.613 1.00 86.13 ? 408 LYS A CE 1 ATOM 2643 N NZ . LYS A 1 380 ? 207.358 -58.191 145.665 1.00 87.01 ? 408 LYS A NZ 1 ATOM 2644 N N . ALA A 1 381 ? 208.978 -50.839 147.437 1.00 91.52 ? 409 ALA A N 1 ATOM 2645 C CA . ALA A 1 381 ? 209.342 -50.003 148.575 1.00 95.05 ? 409 ALA A CA 1 ATOM 2646 C C . ALA A 1 381 ? 208.794 -48.588 148.441 1.00 94.58 ? 409 ALA A C 1 ATOM 2647 O O . ALA A 1 381 ? 208.612 -47.906 149.455 1.00 97.60 ? 409 ALA A O 1 ATOM 2648 C CB . ALA A 1 381 ? 210.860 -49.962 148.740 1.00 96.58 ? 409 ALA A CB 1 ATOM 2649 N N . CYS A 1 382 ? 208.553 -48.117 147.212 1.00 91.97 ? 410 CYS A N 1 ATOM 2650 C CA . CYS A 1 382 ? 207.881 -46.833 147.040 1.00 92.53 ? 410 CYS A CA 1 ATOM 2651 C C . CYS A 1 382 ? 206.376 -46.963 147.246 1.00 90.36 ? 410 CYS A C 1 ATOM 2652 O O . CYS A 1 382 ? 205.754 -46.080 147.848 1.00 94.73 ? 410 CYS A O 1 ATOM 2653 C CB . CYS A 1 382 ? 208.167 -46.250 145.650 1.00 86.95 ? 410 CYS A CB 1 ATOM 2654 S SG . CYS A 1 382 ? 209.888 -45.763 145.336 1.00 87.27 ? 410 CYS A SG 1 ATOM 2655 N N . LEU A 1 383 ? 205.780 -48.052 146.746 1.00 88.47 ? 411 LEU A N 1 ATOM 2656 C CA . LEU A 1 383 ? 204.337 -48.242 146.869 1.00 88.34 ? 411 LEU A CA 1 ATOM 2657 C C . LEU A 1 383 ? 203.921 -48.313 148.332 1.00 96.91 ? 411 LEU A C 1 ATOM 2658 O O . LEU A 1 383 ? 203.119 -47.498 148.801 1.00 104.82 ? 411 LEU A O 1 ATOM 2659 C CB . LEU A 1 383 ? 203.907 -49.508 146.133 1.00 86.04 ? 411 LEU A CB 1 ATOM 2660 C CG . LEU A 1 383 ? 204.284 -49.627 144.659 1.00 82.17 ? 411 LEU A CG 1 ATOM 2661 C CD1 . LEU A 1 383 ? 204.122 -51.073 144.205 1.00 80.90 ? 411 LEU A CD1 1 ATOM 2662 C CD2 . LEU A 1 383 ? 203.445 -48.674 143.817 1.00 79.91 ? 411 LEU A CD2 1 ATOM 2663 N N . ARG A 1 384 ? 204.454 -49.285 149.074 1.00 94.41 ? 412 ARG A N 1 ATOM 2664 C CA . ARG A 1 384 ? 204.367 -49.184 150.523 1.00 98.62 ? 412 ARG A CA 1 ATOM 2665 C C . ARG A 1 384 ? 205.126 -47.930 150.930 1.00 100.36 ? 412 ARG A C 1 ATOM 2666 O O . ARG A 1 384 ? 206.165 -47.600 150.351 1.00 99.11 ? 412 ARG A O 1 ATOM 2667 C CB . ARG A 1 384 ? 204.918 -50.437 151.217 1.00 100.63 ? 412 ARG A CB 1 ATOM 2668 C CG . ARG A 1 384 ? 206.429 -50.583 151.212 1.00 101.15 ? 412 ARG A CG 1 ATOM 2669 C CD . ARG A 1 384 ? 206.886 -51.935 151.755 1.00 102.83 ? 412 ARG A CD 1 ATOM 2670 N NE . ARG A 1 384 ? 208.344 -51.995 151.825 1.00 103.79 ? 412 ARG A NE 1 ATOM 2671 C CZ . ARG A 1 384 ? 209.117 -52.629 150.948 1.00 101.60 ? 412 ARG A CZ 1 ATOM 2672 N NH1 . ARG A 1 384 ? 208.578 -53.288 149.927 1.00 98.29 ? 412 ARG A NH1 1 ATOM 2673 N NH2 . ARG A 1 384 ? 210.435 -52.613 151.101 1.00 102.94 ? 412 ARG A NH2 1 ATOM 2674 N N . GLY A 1 385 ? 204.569 -47.189 151.877 1.00 103.43 ? 413 GLY A N 1 ATOM 2675 C CA . GLY A 1 385 ? 204.919 -45.794 151.984 1.00 106.66 ? 413 GLY A CA 1 ATOM 2676 C C . GLY A 1 385 ? 204.119 -44.887 151.068 1.00 101.56 ? 413 GLY A C 1 ATOM 2677 O O . GLY A 1 385 ? 204.356 -43.674 151.063 1.00 102.19 ? 413 GLY A O 1 ATOM 2678 N N . GLY A 1 386 ? 203.194 -45.444 150.284 1.00 121.13 ? 414 GLY A N 1 ATOM 2679 C CA . GLY A 1 386 ? 202.152 -44.683 149.629 1.00 116.42 ? 414 GLY A CA 1 ATOM 2680 C C . GLY A 1 386 ? 202.553 -43.934 148.380 1.00 98.49 ? 414 GLY A C 1 ATOM 2681 O O . GLY A 1 386 ? 201.708 -43.230 147.815 1.00 92.27 ? 414 GLY A O 1 ATOM 2682 N N . GLY A 1 387 ? 203.804 -44.050 147.930 1.00 125.83 ? 415 GLY A N 1 ATOM 2683 C CA . GLY A 1 387 ? 204.298 -43.312 146.798 1.00 108.23 ? 415 GLY A CA 1 ATOM 2684 C C . GLY A 1 387 ? 204.485 -44.173 145.565 1.00 85.96 ? 415 GLY A C 1 ATOM 2685 O O . GLY A 1 387 ? 203.880 -45.244 145.416 1.00 85.02 ? 415 GLY A O 1 ATOM 2686 N N . ASP A 1 388 ? 205.330 -43.690 144.658 1.00 111.83 ? 416 ASP A N 1 ATOM 2687 C CA . ASP A 1 388 ? 205.739 -44.458 143.491 1.00 92.13 ? 416 ASP A CA 1 ATOM 2688 C C . ASP A 1 388 ? 207.154 -44.047 143.122 1.00 84.61 ? 416 ASP A C 1 ATOM 2689 O O . ASP A 1 388 ? 207.673 -43.043 143.606 1.00 90.09 ? 416 ASP A O 1 ATOM 2690 C CB . ASP A 1 388 ? 204.795 -44.256 142.305 1.00 77.28 ? 416 ASP A CB 1 ATOM 2691 C CG . ASP A 1 388 ? 204.710 -45.480 141.412 1.00 74.61 ? 416 ASP A CG 1 ATOM 2692 O OD1 . ASP A 1 388 ? 205.673 -46.284 141.372 1.00 74.59 ? 416 ASP A OD1 1 ATOM 2693 O OD2 . ASP A 1 388 ? 203.664 -45.646 140.748 1.00 72.70 ? 416 ASP A OD2 1 ATOM 2694 N N . LEU A 1 389 ? 207.792 -44.856 142.280 1.00 82.87 ? 417 LEU A N 1 ATOM 2695 C CA . LEU A 1 389 ? 209.068 -44.444 141.716 1.00 83.03 ? 417 LEU A CA 1 ATOM 2696 C C . LEU A 1 389 ? 208.886 -43.125 140.974 1.00 77.02 ? 417 LEU A C 1 ATOM 2697 O O . LEU A 1 389 ? 207.822 -42.839 140.418 1.00 74.10 ? 417 LEU A O 1 ATOM 2698 C CB . LEU A 1 389 ? 209.624 -45.521 140.789 1.00 75.14 ? 417 LEU A CB 1 ATOM 2699 C CG . LEU A 1 389 ? 210.633 -46.499 141.391 1.00 86.30 ? 417 LEU A CG 1 ATOM 2700 C CD1 . LEU A 1 389 ? 210.687 -47.773 140.564 1.00 74.80 ? 417 LEU A CD1 1 ATOM 2701 C CD2 . LEU A 1 389 ? 212.010 -45.865 141.467 1.00 98.00 ? 417 LEU A CD2 1 ATOM 2702 N N . VAL A 1 390 ? 209.925 -42.294 141.012 1.00 78.07 ? 418 VAL A N 1 ATOM 2703 C CA . VAL A 1 390 ? 209.759 -40.898 140.644 1.00 77.68 ? 418 VAL A CA 1 ATOM 2704 C C . VAL A 1 390 ? 209.604 -40.775 139.134 1.00 73.80 ? 418 VAL A C 1 ATOM 2705 O O . VAL A 1 390 ? 210.235 -41.507 138.358 1.00 71.92 ? 418 VAL A O 1 ATOM 2706 C CB . VAL A 1 390 ? 210.937 -40.060 141.172 1.00 80.33 ? 418 VAL A CB 1 ATOM 2707 C CG1 . VAL A 1 390 ? 212.257 -40.528 140.584 1.00 79.56 ? 418 VAL A CG1 1 ATOM 2708 C CG2 . VAL A 1 390 ? 210.708 -38.589 140.893 1.00 80.33 ? 418 VAL A CG2 1 ATOM 2709 N N . SER A 1 391 ? 208.720 -39.872 138.720 1.00 95.24 ? 419 SER A N 1 ATOM 2710 C CA . SER A 1 391 ? 208.580 -39.453 137.337 1.00 81.96 ? 419 SER A CA 1 ATOM 2711 C C . SER A 1 391 ? 209.091 -38.028 137.212 1.00 86.04 ? 419 SER A C 1 ATOM 2712 O O . SER A 1 391 ? 209.078 -37.263 138.179 1.00 96.04 ? 419 SER A O 1 ATOM 2713 C CB . SER A 1 391 ? 207.127 -39.517 136.861 1.00 67.60 ? 419 SER A CB 1 ATOM 2714 O OG . SER A 1 391 ? 206.329 -38.593 137.583 1.00 73.31 ? 419 SER A OG 1 ATOM 2715 N N . ILE A 1 392 ? 209.566 -37.691 136.018 1.00 85.26 ? 420 ILE A N 1 ATOM 2716 C CA . ILE A 1 392 ? 210.160 -36.393 135.738 1.00 92.20 ? 420 ILE A CA 1 ATOM 2717 C C . ILE A 1 392 ? 209.460 -35.837 134.505 1.00 76.27 ? 420 ILE A C 1 ATOM 2718 O O . ILE A 1 392 ? 209.540 -36.434 133.425 1.00 61.60 ? 420 ILE A O 1 ATOM 2719 C CB . ILE A 1 392 ? 211.675 -36.502 135.519 1.00 95.22 ? 420 ILE A CB 1 ATOM 2720 C CG1 . ILE A 1 392 ? 212.278 -37.463 136.556 1.00 103.75 ? 420 ILE A CG1 1 ATOM 2721 C CG2 . ILE A 1 392 ? 212.328 -35.128 135.593 1.00 101.53 ? 420 ILE A CG2 1 ATOM 2722 C CD1 . ILE A 1 392 ? 213.713 -37.863 136.305 1.00 103.48 ? 420 ILE A CD1 1 ATOM 2723 N N . HIS A 1 393 ? 208.726 -34.734 134.671 1.00 92.83 ? 421 HIS A N 1 ATOM 2724 C CA . HIS A 1 393 ? 208.056 -34.063 133.561 1.00 73.28 ? 421 HIS A CA 1 ATOM 2725 C C . HIS A 1 393 ? 208.785 -32.832 133.050 1.00 77.16 ? 421 HIS A C 1 ATOM 2726 O O . HIS A 1 393 ? 208.283 -32.176 132.129 1.00 72.51 ? 421 HIS A O 1 ATOM 2727 C CB . HIS A 1 393 ? 206.629 -33.676 133.950 1.00 75.03 ? 421 HIS A CB 1 ATOM 2728 C CG . HIS A 1 393 ? 205.757 -34.852 134.247 1.00 87.47 ? 421 HIS A CG 1 ATOM 2729 N ND1 . HIS A 1 393 ? 204.385 -34.817 134.116 1.00 89.34 ? 421 HIS A ND1 1 ATOM 2730 C CD2 . HIS A 1 393 ? 206.065 -36.101 134.671 1.00 92.23 ? 421 HIS A CD2 1 ATOM 2731 C CE1 . HIS A 1 393 ? 203.886 -35.995 134.446 1.00 90.60 ? 421 HIS A CE1 1 ATOM 2732 N NE2 . HIS A 1 393 ? 204.884 -36.790 134.791 1.00 91.79 ? 421 HIS A NE2 1 ATOM 2733 N N . SER A 1 394 ? 209.934 -32.481 133.618 1.00 75.74 ? 422 SER A N 1 ATOM 2734 C CA . SER A 1 394 ? 210.555 -31.218 133.239 1.00 83.53 ? 422 SER A CA 1 ATOM 2735 C C . SER A 1 394 ? 212.045 -31.265 133.534 1.00 94.22 ? 422 SER A C 1 ATOM 2736 O O . SER A 1 394 ? 212.517 -32.085 134.328 1.00 99.38 ? 422 SER A O 1 ATOM 2737 C CB . SER A 1 394 ? 209.904 -30.036 133.967 1.00 94.50 ? 422 SER A CB 1 ATOM 2738 O OG . SER A 1 394 ? 209.971 -30.200 135.374 1.00 112.78 ? 422 SER A OG 1 ATOM 2739 N N . MET A 1 395 ? 212.780 -30.366 132.873 1.00 80.85 ? 423 MET A N 1 ATOM 2740 C CA . MET A 1 395 ? 214.207 -30.233 133.144 1.00 93.51 ? 423 MET A CA 1 ATOM 2741 C C . MET A 1 395 ? 214.446 -29.619 134.515 1.00 119.72 ? 423 MET A C 1 ATOM 2742 O O . MET A 1 395 ? 215.471 -29.895 135.151 1.00 132.23 ? 423 MET A O 1 ATOM 2743 C CB . MET A 1 395 ? 214.875 -29.396 132.053 1.00 84.22 ? 423 MET A CB 1 ATOM 2744 C CG . MET A 1 395 ? 216.365 -29.176 132.257 1.00 94.34 ? 423 MET A CG 1 ATOM 2745 S SD . MET A 1 395 ? 217.351 -30.653 131.961 1.00 104.60 ? 423 MET A SD 1 ATOM 2746 C CE . MET A 1 395 ? 218.967 -30.092 132.492 1.00 112.35 ? 423 MET A CE 1 ATOM 2747 N N . ALA A 1 396 ? 213.509 -28.798 134.989 1.00 88.96 ? 424 ALA A N 1 ATOM 2748 C CA . ALA A 1 396 ? 213.620 -28.263 136.341 1.00 112.23 ? 424 ALA A CA 1 ATOM 2749 C C . ALA A 1 396 ? 213.379 -29.350 137.377 1.00 118.76 ? 424 ALA A C 1 ATOM 2750 O O . ALA A 1 396 ? 214.108 -29.437 138.373 1.00 135.81 ? 424 ALA A O 1 ATOM 2751 C CB . ALA A 1 396 ? 212.641 -27.106 136.537 1.00 118.00 ? 424 ALA A CB 1 ATOM 2752 N N . GLU A 1 397 ? 212.360 -30.188 137.162 1.00 117.17 ? 425 GLU A N 1 ATOM 2753 C CA . GLU A 1 397 ? 212.146 -31.313 138.063 1.00 112.59 ? 425 GLU A CA 1 ATOM 2754 C C . GLU A 1 397 ? 213.328 -32.271 138.024 1.00 109.77 ? 425 GLU A C 1 ATOM 2755 O O . GLU A 1 397 ? 213.649 -32.901 139.037 1.00 115.35 ? 425 GLU A O 1 ATOM 2756 C CB . GLU A 1 397 ? 210.846 -32.038 137.716 1.00 97.09 ? 425 GLU A CB 1 ATOM 2757 C CG . GLU A 1 397 ? 210.429 -33.077 138.755 1.00 97.73 ? 425 GLU A CG 1 ATOM 2758 C CD . GLU A 1 397 ? 209.252 -33.941 138.313 1.00 79.70 ? 425 GLU A CD 1 ATOM 2759 O OE1 . GLU A 1 397 ? 208.809 -33.827 137.141 1.00 74.62 ? 425 GLU A OE1 1 ATOM 2760 O OE2 . GLU A 1 397 ? 208.771 -34.740 139.150 1.00 85.08 ? 425 GLU A OE2 1 ATOM 2761 N N . LEU A 1 398 ? 213.995 -32.386 136.873 1.00 115.01 ? 426 LEU A N 1 ATOM 2762 C CA . LEU A 1 398 ? 215.248 -33.131 136.828 1.00 112.87 ? 426 LEU A CA 1 ATOM 2763 C C . LEU A 1 398 ? 216.282 -32.500 137.748 1.00 130.46 ? 426 LEU A C 1 ATOM 2764 O O . LEU A 1 398 ? 216.863 -33.177 138.603 1.00 129.36 ? 426 LEU A O 1 ATOM 2765 C CB . LEU A 1 398 ? 215.778 -33.206 135.395 1.00 91.10 ? 426 LEU A CB 1 ATOM 2766 C CG . LEU A 1 398 ? 217.135 -33.910 135.254 1.00 92.90 ? 426 LEU A CG 1 ATOM 2767 C CD1 . LEU A 1 398 ? 217.042 -35.363 135.711 1.00 92.38 ? 426 LEU A CD1 1 ATOM 2768 C CD2 . LEU A 1 398 ? 217.689 -33.828 133.834 1.00 84.86 ? 426 LEU A CD2 1 ATOM 2769 N N . GLU A 1 399 ? 216.512 -31.189 137.599 1.00 94.30 ? 427 GLU A N 1 ATOM 2770 C CA . GLU A 1 399 ? 217.494 -30.504 138.438 1.00 124.17 ? 427 GLU A CA 1 ATOM 2771 C C . GLU A 1 399 ? 217.032 -30.414 139.890 1.00 134.43 ? 427 GLU A C 1 ATOM 2772 O O . GLU A 1 399 ? 217.864 -30.444 140.805 1.00 149.45 ? 427 GLU A O 1 ATOM 2773 C CB . GLU A 1 399 ? 217.789 -29.112 137.877 1.00 137.95 ? 427 GLU A CB 1 ATOM 2774 C CG . GLU A 1 399 ? 218.394 -29.109 136.472 1.00 134.44 ? 427 GLU A CG 1 ATOM 2775 C CD . GLU A 1 399 ? 219.722 -29.849 136.388 1.00 146.20 ? 427 GLU A CD 1 ATOM 2776 O OE1 . GLU A 1 399 ? 219.752 -30.972 135.834 1.00 135.73 ? 427 GLU A OE1 1 ATOM 2777 O OE2 . GLU A 1 399 ? 220.736 -29.307 136.877 1.00 165.45 ? 427 GLU A OE2 1 ATOM 2778 N N . PHE A 1 400 ? 215.718 -30.299 140.113 1.00 109.93 ? 428 PHE A N 1 ATOM 2779 C CA . PHE A 1 400 ? 215.142 -30.453 141.446 1.00 122.10 ? 428 PHE A CA 1 ATOM 2780 C C . PHE A 1 400 ? 215.695 -31.700 142.129 1.00 128.68 ? 428 PHE A C 1 ATOM 2781 O O . PHE A 1 400 ? 215.993 -31.688 143.330 1.00 137.06 ? 428 PHE A O 1 ATOM 2782 C CB . PHE A 1 400 ? 213.612 -30.529 141.307 1.00 111.19 ? 428 PHE A CB 1 ATOM 2783 C CG . PHE A 1 400 ? 212.823 -30.118 142.533 1.00 126.25 ? 428 PHE A CG 1 ATOM 2784 C CD1 . PHE A 1 400 ? 213.186 -30.527 143.805 1.00 145.29 ? 428 PHE A CD1 1 ATOM 2785 C CD2 . PHE A 1 400 ? 211.675 -29.349 142.390 1.00 122.85 ? 428 PHE A CD2 1 ATOM 2786 C CE1 . PHE A 1 400 ? 212.438 -30.153 144.912 1.00 158.12 ? 428 PHE A CE1 1 ATOM 2787 C CE2 . PHE A 1 400 ? 210.924 -28.975 143.491 1.00 138.74 ? 428 PHE A CE2 1 ATOM 2788 C CZ . PHE A 1 400 ? 211.307 -29.377 144.752 1.00 153.98 ? 428 PHE A CZ 1 ATOM 2789 N N . ILE A 1 401 ? 215.831 -32.791 141.370 1.00 128.58 ? 429 ILE A N 1 ATOM 2790 C CA . ILE A 1 401 ? 216.286 -34.070 141.903 1.00 130.41 ? 429 ILE A CA 1 ATOM 2791 C C . ILE A 1 401 ? 217.788 -34.321 141.722 1.00 141.92 ? 429 ILE A C 1 ATOM 2792 O O . ILE A 1 401 ? 218.339 -35.200 142.405 1.00 153.86 ? 429 ILE A O 1 ATOM 2793 C CB . ILE A 1 401 ? 215.445 -35.197 141.261 1.00 98.06 ? 429 ILE A CB 1 ATOM 2794 C CG1 . ILE A 1 401 ? 213.963 -34.933 141.529 1.00 90.14 ? 429 ILE A CG1 1 ATOM 2795 C CG2 . ILE A 1 401 ? 215.816 -36.571 141.775 1.00 93.90 ? 429 ILE A CG2 1 ATOM 2796 C CD1 . ILE A 1 401 ? 213.053 -35.967 140.952 1.00 86.65 ? 429 ILE A CD1 1 ATOM 2797 N N . THR A 1 402 ? 218.477 -33.555 140.874 1.00 125.74 ? 430 THR A N 1 ATOM 2798 C CA . THR A 1 402 ? 219.885 -33.843 140.595 1.00 133.11 ? 430 THR A CA 1 ATOM 2799 C C . THR A 1 402 ? 220.783 -33.752 141.825 1.00 160.51 ? 430 THR A C 1 ATOM 2800 O O . THR A 1 402 ? 221.239 -34.776 142.342 1.00 162.82 ? 430 THR A O 1 ATOM 2801 C CB . THR A 1 402 ? 220.435 -32.907 139.516 1.00 129.34 ? 430 THR A CB 1 ATOM 2802 O OG1 . THR A 1 402 ? 220.066 -31.555 139.814 1.00 139.01 ? 430 THR A OG1 1 ATOM 2803 C CG2 . THR A 1 402 ? 219.929 -33.309 138.129 1.00 105.51 ? 430 THR A CG2 1 ATOM 2804 N N . LYS A 1 403 ? 221.048 -32.531 142.299 1.00 120.55 ? 431 LYS A N 1 ATOM 2805 C CA . LYS A 1 403 ? 221.962 -32.361 143.426 1.00 153.89 ? 431 LYS A CA 1 ATOM 2806 C C . LYS A 1 403 ? 221.265 -32.610 144.756 1.00 168.00 ? 431 LYS A C 1 ATOM 2807 O O . LYS A 1 403 ? 221.841 -33.227 145.659 1.00 186.11 ? 431 LYS A O 1 ATOM 2808 C CB . LYS A 1 403 ? 222.576 -30.961 143.406 1.00 170.94 ? 431 LYS A CB 1 ATOM 2809 C CG . LYS A 1 403 ? 223.501 -30.671 144.581 1.00 201.89 ? 431 LYS A CG 1 ATOM 2810 C CD . LYS A 1 403 ? 224.613 -31.704 144.681 1.00 210.36 ? 431 LYS A CD 1 ATOM 2811 C CE . LYS A 1 403 ? 225.598 -31.356 145.783 1.00 241.75 ? 431 LYS A CE 1 ATOM 2812 N NZ . LYS A 1 403 ? 226.618 -32.424 145.966 1.00 249.82 ? 431 LYS A NZ 1 ATOM 2813 N N . GLN A 1 404 ? 220.033 -32.129 144.886 1.00 150.96 ? 432 GLN A N 1 ATOM 2814 C CA . GLN A 1 404 ? 219.256 -32.220 146.114 1.00 155.79 ? 432 GLN A CA 1 ATOM 2815 C C . GLN A 1 404 ? 219.066 -33.654 146.604 1.00 149.90 ? 432 GLN A C 1 ATOM 2816 O O . GLN A 1 404 ? 219.673 -34.051 147.603 1.00 168.22 ? 432 GLN A O 1 ATOM 2817 C CB . GLN A 1 404 ? 217.906 -31.538 145.885 1.00 143.60 ? 432 GLN A CB 1 ATOM 2818 C CG . GLN A 1 404 ? 216.844 -31.796 146.925 1.00 149.57 ? 432 GLN A CG 1 ATOM 2819 C CD . GLN A 1 404 ? 215.503 -31.253 146.485 1.00 136.73 ? 432 GLN A CD 1 ATOM 2820 O OE1 . GLN A 1 404 ? 214.456 -31.819 146.793 1.00 132.12 ? 432 GLN A OE1 1 ATOM 2821 N NE2 . GLN A 1 404 ? 215.530 -30.148 145.752 1.00 132.07 ? 432 GLN A NE2 1 ATOM 2822 N N . ILE A 1 405 ? 218.241 -34.444 145.910 1.00 157.54 ? 433 ILE A N 1 ATOM 2823 C CA . ILE A 1 405 ? 217.842 -35.745 146.445 1.00 147.07 ? 433 ILE A CA 1 ATOM 2824 C C . ILE A 1 405 ? 218.901 -36.812 146.176 1.00 143.82 ? 433 ILE A C 1 ATOM 2825 O O . ILE A 1 405 ? 219.214 -37.620 147.056 1.00 156.82 ? 433 ILE A O 1 ATOM 2826 C CB . ILE A 1 405 ? 216.466 -36.155 145.888 1.00 118.04 ? 433 ILE A CB 1 ATOM 2827 C CG1 . ILE A 1 405 ? 215.442 -35.037 146.101 1.00 115.55 ? 433 ILE A CG1 1 ATOM 2828 C CG2 . ILE A 1 405 ? 215.977 -37.417 146.569 1.00 117.26 ? 433 ILE A CG2 1 ATOM 2829 C CD1 . ILE A 1 405 ? 214.018 -35.413 145.719 1.00 106.12 ? 433 ILE A CD1 1 ATOM 2830 N N . LYS A 1 406 ? 219.469 -36.837 144.970 1.00 140.21 ? 434 LYS A N 1 ATOM 2831 C CA . LYS A 1 406 ? 220.392 -37.912 144.605 1.00 147.03 ? 434 LYS A CA 1 ATOM 2832 C C . LYS A 1 406 ? 221.701 -37.808 145.381 1.00 187.15 ? 434 LYS A C 1 ATOM 2833 O O . LYS A 1 406 ? 222.134 -38.776 146.017 1.00 194.91 ? 434 LYS A O 1 ATOM 2834 C CB . LYS A 1 406 ? 220.644 -37.889 143.095 1.00 120.11 ? 434 LYS A CB 1 ATOM 2835 C CG . LYS A 1 406 ? 221.893 -38.624 142.626 1.00 116.75 ? 434 LYS A CG 1 ATOM 2836 C CD . LYS A 1 406 ? 222.079 -38.449 141.119 1.00 111.05 ? 434 LYS A CD 1 ATOM 2837 C CE . LYS A 1 406 ? 223.487 -38.805 140.665 1.00 111.88 ? 434 LYS A CE 1 ATOM 2838 N NZ . LYS A 1 406 ? 224.513 -37.822 141.108 1.00 118.68 ? 434 LYS A NZ 1 ATOM 2839 N N . GLN A 1 407 ? 222.345 -36.640 145.335 1.00 133.36 ? 435 GLN A N 1 ATOM 2840 C CA . GLN A 1 407 ? 223.535 -36.333 146.130 1.00 171.89 ? 435 GLN A CA 1 ATOM 2841 C C . GLN A 1 407 ? 224.657 -37.344 145.865 1.00 167.47 ? 435 GLN A C 1 ATOM 2842 O O . GLN A 1 407 ? 224.991 -38.192 146.697 1.00 183.55 ? 435 GLN A O 1 ATOM 2843 C CB . GLN A 1 407 ? 223.194 -36.267 147.624 1.00 206.88 ? 435 GLN A CB 1 ATOM 2844 C CG . GLN A 1 407 ? 224.327 -35.726 148.472 1.00 246.00 ? 435 GLN A CG 1 ATOM 2845 C CD . GLN A 1 407 ? 224.907 -34.454 147.894 1.00 259.87 ? 435 GLN A CD 1 ATOM 2846 O OE1 . GLN A 1 407 ? 226.087 -34.394 147.554 1.00 269.71 ? 435 GLN A OE1 1 ATOM 2847 N NE2 . GLN A 1 407 ? 224.074 -33.428 147.774 1.00 260.08 ? 435 GLN A NE2 1 ATOM 2848 N N . GLU A 1 408 ? 225.219 -37.232 144.664 1.00 170.51 ? 436 GLU A N 1 ATOM 2849 C CA . GLU A 1 408 ? 226.394 -38.007 144.273 1.00 160.60 ? 436 GLU A CA 1 ATOM 2850 C C . GLU A 1 408 ? 226.169 -39.510 144.423 1.00 143.40 ? 436 GLU A C 1 ATOM 2851 O O . GLU A 1 408 ? 227.091 -40.259 144.744 1.00 148.96 ? 436 GLU A O 1 ATOM 2852 C CB . GLU A 1 408 ? 227.610 -37.572 145.098 1.00 186.46 ? 436 GLU A CB 1 ATOM 2853 C CG . GLU A 1 408 ? 227.991 -36.110 144.913 1.00 193.65 ? 436 GLU A CG 1 ATOM 2854 C CD . GLU A 1 408 ? 229.068 -35.657 145.881 1.00 220.96 ? 436 GLU A CD 1 ATOM 2855 O OE1 . GLU A 1 408 ? 228.720 -35.124 146.954 1.00 232.57 ? 436 GLU A OE1 1 ATOM 2856 O OE2 . GLU A 1 408 ? 230.263 -35.841 145.572 1.00 231.22 ? 436 GLU A OE2 1 ATOM 2857 N N . GLU A 1 410 ? 225.076 -42.122 143.238 1.00 141.56 ? 438 GLU A N 1 ATOM 2858 C CA . GLU A 1 410 ? 225.484 -42.079 141.839 1.00 133.41 ? 438 GLU A CA 1 ATOM 2859 C C . GLU A 1 410 ? 224.380 -42.647 140.940 1.00 113.25 ? 438 GLU A C 1 ATOM 2860 O O . GLU A 1 410 ? 223.515 -41.911 140.467 1.00 99.69 ? 438 GLU A O 1 ATOM 2861 C CB . GLU A 1 410 ? 226.797 -42.845 141.645 1.00 147.78 ? 438 GLU A CB 1 ATOM 2862 C CG . GLU A 1 410 ? 227.372 -42.775 140.236 1.00 143.96 ? 438 GLU A CG 1 ATOM 2863 C CD . GLU A 1 410 ? 227.722 -41.363 139.807 1.00 149.83 ? 438 GLU A CD 1 ATOM 2864 O OE1 . GLU A 1 410 ? 227.987 -40.517 140.688 1.00 168.80 ? 438 GLU A OE1 1 ATOM 2865 O OE2 . GLU A 1 410 ? 227.733 -41.098 138.586 1.00 132.98 ? 438 GLU A OE2 1 ATOM 2866 N N . GLU A 1 411 ? 224.411 -43.955 140.702 1.00 116.03 ? 439 GLU A N 1 ATOM 2867 C CA . GLU A 1 411 ? 223.337 -44.619 139.980 1.00 113.01 ? 439 GLU A CA 1 ATOM 2868 C C . GLU A 1 411 ? 222.121 -44.795 140.875 1.00 109.08 ? 439 GLU A C 1 ATOM 2869 O O . GLU A 1 411 ? 222.245 -44.966 142.089 1.00 119.72 ? 439 GLU A O 1 ATOM 2870 C CB . GLU A 1 411 ? 223.786 -45.989 139.483 1.00 118.98 ? 439 GLU A CB 1 ATOM 2871 C CG . GLU A 1 411 ? 224.521 -45.971 138.178 1.00 125.51 ? 439 GLU A CG 1 ATOM 2872 C CD . GLU A 1 411 ? 224.397 -47.286 137.452 1.00 123.36 ? 439 GLU A CD 1 ATOM 2873 O OE1 . GLU A 1 411 ? 224.916 -48.297 137.969 1.00 123.49 ? 439 GLU A OE1 1 ATOM 2874 O OE2 . GLU A 1 411 ? 223.762 -47.312 136.376 1.00 118.46 ? 439 GLU A OE2 1 ATOM 2875 N N . LEU A 1 412 ? 220.943 -44.814 140.257 1.00 108.24 ? 440 LEU A N 1 ATOM 2876 C CA . LEU A 1 412 ? 219.712 -45.084 140.989 1.00 101.76 ? 440 LEU A CA 1 ATOM 2877 C C . LEU A 1 412 ? 218.557 -45.180 140.006 1.00 93.98 ? 440 LEU A C 1 ATOM 2878 O O . LEU A 1 412 ? 218.646 -44.711 138.870 1.00 103.94 ? 440 LEU A O 1 ATOM 2879 C CB . LEU A 1 412 ? 219.421 -44.013 142.049 1.00 102.40 ? 440 LEU A CB 1 ATOM 2880 C CG . LEU A 1 412 ? 219.468 -42.532 141.691 1.00 98.33 ? 440 LEU A CG 1 ATOM 2881 C CD1 . LEU A 1 412 ? 218.165 -42.089 141.052 1.00 89.18 ? 440 LEU A CD1 1 ATOM 2882 C CD2 . LEU A 1 412 ? 219.757 -41.716 142.948 1.00 98.31 ? 440 LEU A CD2 1 ATOM 2883 N N . TRP A 1 413 ? 217.461 -45.774 140.479 1.00 89.13 ? 441 TRP A N 1 ATOM 2884 C CA . TRP A 1 413 ? 216.302 -46.077 139.654 1.00 87.70 ? 441 TRP A CA 1 ATOM 2885 C C . TRP A 1 413 ? 215.319 -44.912 139.617 1.00 88.21 ? 441 TRP A C 1 ATOM 2886 O O . TRP A 1 413 ? 215.121 -44.215 140.616 1.00 101.79 ? 441 TRP A O 1 ATOM 2887 C CB . TRP A 1 413 ? 215.578 -47.320 140.173 1.00 88.83 ? 441 TRP A CB 1 ATOM 2888 C CG . TRP A 1 413 ? 216.343 -48.614 140.071 1.00 89.84 ? 441 TRP A CG 1 ATOM 2889 C CD1 . TRP A 1 413 ? 216.704 -49.432 141.103 1.00 101.58 ? 441 TRP A CD1 1 ATOM 2890 C CD2 . TRP A 1 413 ? 216.816 -49.251 138.875 1.00 83.79 ? 441 TRP A CD2 1 ATOM 2891 N NE1 . TRP A 1 413 ? 217.376 -50.532 140.628 1.00 103.10 ? 441 TRP A NE1 1 ATOM 2892 C CE2 . TRP A 1 413 ? 217.456 -50.447 139.264 1.00 91.56 ? 441 TRP A CE2 1 ATOM 2893 C CE3 . TRP A 1 413 ? 216.759 -48.928 137.514 1.00 88.12 ? 441 TRP A CE3 1 ATOM 2894 C CZ2 . TRP A 1 413 ? 218.037 -51.318 138.345 1.00 92.12 ? 441 TRP A CZ2 1 ATOM 2895 C CZ3 . TRP A 1 413 ? 217.334 -49.795 136.601 1.00 86.91 ? 441 TRP A CZ3 1 ATOM 2896 C CH2 . TRP A 1 413 ? 217.971 -50.974 137.022 1.00 86.34 ? 441 TRP A CH2 1 ATOM 2897 N N . ILE A 1 414 ? 214.700 -44.711 138.450 1.00 93.96 ? 442 ILE A N 1 ATOM 2898 C CA . ILE A 1 414 ? 213.509 -43.877 138.341 1.00 83.35 ? 442 ILE A CA 1 ATOM 2899 C C . ILE A 1 414 ? 212.382 -44.722 137.763 1.00 75.24 ? 442 ILE A C 1 ATOM 2900 O O . ILE A 1 414 ? 212.578 -45.904 137.455 1.00 73.36 ? 442 ILE A O 1 ATOM 2901 C CB . ILE A 1 414 ? 213.773 -42.627 137.488 1.00 82.53 ? 442 ILE A CB 1 ATOM 2902 C CG1 . ILE A 1 414 ? 214.264 -43.022 136.085 1.00 72.42 ? 442 ILE A CG1 1 ATOM 2903 C CG2 . ILE A 1 414 ? 214.759 -41.736 138.191 1.00 89.45 ? 442 ILE A CG2 1 ATOM 2904 C CD1 . ILE A 1 414 ? 214.805 -41.872 135.285 1.00 71.50 ? 442 ILE A CD1 1 ATOM 2905 N N . GLY A 1 415 ? 211.200 -44.130 137.602 1.00 91.51 ? 443 GLY A N 1 ATOM 2906 C CA . GLY A 1 415 ? 210.026 -44.873 137.181 1.00 79.60 ? 443 GLY A CA 1 ATOM 2907 C C . GLY A 1 415 ? 209.908 -45.194 135.703 1.00 66.63 ? 443 GLY A C 1 ATOM 2908 O O . GLY A 1 415 ? 208.938 -45.842 135.293 1.00 61.65 ? 443 GLY A O 1 ATOM 2909 N N . LEU A 1 416 ? 210.858 -44.777 134.873 1.00 90.14 ? 444 LEU A N 1 ATOM 2910 C CA . LEU A 1 416 ? 210.752 -45.057 133.449 1.00 67.60 ? 444 LEU A CA 1 ATOM 2911 C C . LEU A 1 416 ? 211.106 -46.522 133.193 1.00 64.10 ? 444 LEU A C 1 ATOM 2912 O O . LEU A 1 416 ? 212.091 -47.038 133.733 1.00 77.24 ? 444 LEU A O 1 ATOM 2913 C CB . LEU A 1 416 ? 211.648 -44.111 132.645 1.00 63.93 ? 444 LEU A CB 1 ATOM 2914 C CG . LEU A 1 416 ? 211.172 -43.731 131.224 1.00 54.70 ? 444 LEU A CG 1 ATOM 2915 C CD1 . LEU A 1 416 ? 209.945 -42.817 131.243 1.00 54.19 ? 444 LEU A CD1 1 ATOM 2916 C CD2 . LEU A 1 416 ? 212.294 -43.104 130.378 1.00 53.92 ? 444 LEU A CD2 1 ATOM 2917 N N . ASN A 1 417 ? 210.263 -47.203 132.417 1.00 61.64 ? 445 ASN A N 1 ATOM 2918 C CA . ASN A 1 417 ? 210.487 -48.597 132.062 1.00 67.04 ? 445 ASN A CA 1 ATOM 2919 C C . ASN A 1 417 ? 209.754 -48.920 130.760 1.00 56.87 ? 445 ASN A C 1 ATOM 2920 O O . ASN A 1 417 ? 208.775 -48.255 130.403 1.00 53.27 ? 445 ASN A O 1 ATOM 2921 C CB . ASN A 1 417 ? 210.013 -49.524 133.185 1.00 74.44 ? 445 ASN A CB 1 ATOM 2922 C CG . ASN A 1 417 ? 208.511 -49.561 133.296 1.00 67.89 ? 445 ASN A CG 1 ATOM 2923 O OD1 . ASN A 1 417 ? 207.876 -50.500 132.829 1.00 61.23 ? 445 ASN A OD1 1 ATOM 2924 N ND2 . ASN A 1 417 ? 207.927 -48.516 133.878 1.00 75.57 ? 445 ASN A ND2 1 ATOM 2925 N N . ASP A 1 418 ? 210.284 -49.895 130.018 1.00 68.03 ? 446 ASP A N 1 ATOM 2926 C CA . ASP A 1 418 ? 209.620 -50.476 128.856 1.00 59.45 ? 446 ASP A CA 1 ATOM 2927 C C . ASP A 1 418 ? 209.033 -51.869 129.132 1.00 62.92 ? 446 ASP A C 1 ATOM 2928 O O . ASP A 1 418 ? 208.927 -52.681 128.208 1.00 50.34 ? 446 ASP A O 1 ATOM 2929 C CB . ASP A 1 418 ? 210.538 -50.464 127.624 1.00 55.34 ? 446 ASP A CB 1 ATOM 2930 C CG . ASP A 1 418 ? 211.780 -51.317 127.781 1.00 69.69 ? 446 ASP A CG 1 ATOM 2931 O OD1 . ASP A 1 418 ? 211.751 -52.326 128.501 1.00 75.92 ? 446 ASP A OD1 1 ATOM 2932 O OD2 . ASP A 1 418 ? 212.791 -50.982 127.135 1.00 77.88 ? 446 ASP A OD2 1 ATOM 2933 N N . LEU A 1 419 ? 208.826 -52.229 130.400 1.00 60.04 ? 447 LEU A N 1 ATOM 2934 C CA . LEU A 1 419 ? 208.410 -53.595 130.727 1.00 62.25 ? 447 LEU A CA 1 ATOM 2935 C C . LEU A 1 419 ? 207.187 -54.072 129.937 1.00 58.98 ? 447 LEU A C 1 ATOM 2936 O O . LEU A 1 419 ? 207.072 -55.269 129.648 1.00 59.81 ? 447 LEU A O 1 ATOM 2937 C CB . LEU A 1 419 ? 208.141 -53.716 132.230 1.00 70.14 ? 447 LEU A CB 1 ATOM 2938 C CG . LEU A 1 419 ? 209.375 -53.651 133.137 1.00 80.74 ? 447 LEU A CG 1 ATOM 2939 C CD1 . LEU A 1 419 ? 208.999 -53.371 134.594 1.00 89.53 ? 447 LEU A CD1 1 ATOM 2940 C CD2 . LEU A 1 419 ? 210.197 -54.927 133.027 1.00 75.46 ? 447 LEU A CD2 1 ATOM 2941 N N . LYS A 1 420 ? 206.248 -53.182 129.606 1.00 70.16 ? 448 LYS A N 1 ATOM 2942 C CA . LYS A 1 420 ? 205.021 -53.653 128.965 1.00 63.16 ? 448 LYS A CA 1 ATOM 2943 C C . LYS A 1 420 ? 205.227 -53.933 127.477 1.00 58.90 ? 448 LYS A C 1 ATOM 2944 O O . LYS A 1 420 ? 204.821 -54.987 126.975 1.00 63.68 ? 448 LYS A O 1 ATOM 2945 C CB . LYS A 1 420 ? 203.889 -52.643 129.175 1.00 69.24 ? 448 LYS A CB 1 ATOM 2946 C CG . LYS A 1 420 ? 202.538 -53.120 128.649 1.00 69.27 ? 448 LYS A CG 1 ATOM 2947 C CD . LYS A 1 420 ? 201.452 -52.079 128.858 1.00 75.98 ? 448 LYS A CD 1 ATOM 2948 C CE . LYS A 1 420 ? 201.644 -50.888 127.930 1.00 74.32 ? 448 LYS A CE 1 ATOM 2949 N NZ . LYS A 1 420 ? 200.719 -49.750 128.232 1.00 77.19 ? 448 LYS A NZ 1 ATOM 2950 N N . LEU A 1 421 ? 205.846 -53.002 126.752 1.00 79.96 ? 449 LEU A N 1 ATOM 2951 C CA . LEU A 1 421 ? 206.171 -53.196 125.344 1.00 68.15 ? 449 LEU A CA 1 ATOM 2952 C C . LEU A 1 421 ? 207.589 -52.699 125.123 1.00 59.76 ? 449 LEU A C 1 ATOM 2953 O O . LEU A 1 421 ? 207.907 -51.555 125.481 1.00 56.11 ? 449 LEU A O 1 ATOM 2954 C CB . LEU A 1 421 ? 205.194 -52.443 124.428 1.00 67.02 ? 449 LEU A CB 1 ATOM 2955 C CG . LEU A 1 421 ? 204.907 -52.903 122.987 1.00 59.62 ? 449 LEU A CG 1 ATOM 2956 C CD1 . LEU A 1 421 ? 204.083 -51.832 122.289 1.00 45.45 ? 449 LEU A CD1 1 ATOM 2957 C CD2 . LEU A 1 421 ? 206.147 -53.242 122.148 1.00 55.75 ? 449 LEU A CD2 1 ATOM 2958 N N . GLN A 1 422 ? 208.430 -53.554 124.536 1.00 48.18 ? 450 GLN A N 1 ATOM 2959 C CA . GLN A 1 422 ? 209.835 -53.207 124.361 1.00 56.37 ? 450 GLN A CA 1 ATOM 2960 C C . GLN A 1 422 ? 209.980 -51.895 123.602 1.00 53.57 ? 450 GLN A C 1 ATOM 2961 O O . GLN A 1 422 ? 209.345 -51.687 122.564 1.00 45.40 ? 450 GLN A O 1 ATOM 2962 C CB . GLN A 1 422 ? 210.576 -54.324 123.631 1.00 58.25 ? 450 GLN A CB 1 ATOM 2963 C CG . GLN A 1 422 ? 211.258 -55.315 124.556 1.00 75.84 ? 450 GLN A CG 1 ATOM 2964 C CD . GLN A 1 422 ? 212.371 -54.678 125.362 1.00 89.87 ? 450 GLN A CD 1 ATOM 2965 O OE1 . GLN A 1 422 ? 213.177 -53.913 124.833 1.00 95.33 ? 450 GLN A OE1 1 ATOM 2966 N NE2 . GLN A 1 422 ? 212.415 -54.983 126.650 1.00 95.23 ? 450 GLN A NE2 1 ATOM 2967 N N . MET A 1 423 ? 210.810 -51.004 124.140 1.00 67.23 ? 451 MET A N 1 ATOM 2968 C CA . MET A 1 423 ? 211.130 -49.712 123.537 1.00 59.22 ? 451 MET A CA 1 ATOM 2969 C C . MET A 1 423 ? 209.896 -48.819 123.373 1.00 46.71 ? 451 MET A C 1 ATOM 2970 O O . MET A 1 423 ? 209.880 -47.896 122.541 1.00 38.36 ? 451 MET A O 1 ATOM 2971 C CB . MET A 1 423 ? 211.867 -49.904 122.206 1.00 56.66 ? 451 MET A CB 1 ATOM 2972 C CG . MET A 1 423 ? 213.285 -50.488 122.365 1.00 62.72 ? 451 MET A CG 1 ATOM 2973 S SD . MET A 1 423 ? 214.490 -49.363 123.136 1.00 76.28 ? 451 MET A SD 1 ATOM 2974 C CE . MET A 1 423 ? 215.971 -50.369 123.090 1.00 312.51 ? 451 MET A CE 1 ATOM 2975 N N . ASN A 1 424 ? 208.857 -49.062 124.163 1.00 48.14 ? 452 ASN A N 1 ATOM 2976 C CA . ASN A 1 424 ? 207.820 -48.071 124.414 1.00 49.62 ? 452 ASN A CA 1 ATOM 2977 C C . ASN A 1 424 ? 207.835 -47.819 125.918 1.00 62.69 ? 452 ASN A C 1 ATOM 2978 O O . ASN A 1 424 ? 207.398 -48.660 126.709 1.00 72.82 ? 452 ASN A O 1 ATOM 2979 C CB . ASN A 1 424 ? 206.457 -48.544 123.903 1.00 41.84 ? 452 ASN A CB 1 ATOM 2980 C CG . ASN A 1 424 ? 205.364 -47.503 124.089 1.00 49.46 ? 452 ASN A CG 1 ATOM 2981 O OD1 . ASN A 1 424 ? 205.394 -46.415 123.490 1.00 46.09 ? 452 ASN A OD1 1 ATOM 2982 N ND2 . ASN A 1 424 ? 204.376 -47.837 124.908 1.00 62.84 ? 452 ASN A ND2 1 ATOM 2983 N N . PHE A 1 425 ? 208.325 -46.653 126.300 1.00 45.77 ? 453 PHE A N 1 ATOM 2984 C CA . PHE A 1 425 ? 208.650 -46.332 127.680 1.00 51.69 ? 453 PHE A CA 1 ATOM 2985 C C . PHE A 1 425 ? 207.497 -45.603 128.355 1.00 51.40 ? 453 PHE A C 1 ATOM 2986 O O . PHE A 1 425 ? 206.908 -44.681 127.780 1.00 47.94 ? 453 PHE A O 1 ATOM 2987 C CB . PHE A 1 425 ? 209.930 -45.498 127.737 1.00 56.34 ? 453 PHE A CB 1 ATOM 2988 C CG . PHE A 1 425 ? 211.169 -46.307 127.517 1.00 62.05 ? 453 PHE A CG 1 ATOM 2989 C CD1 . PHE A 1 425 ? 211.716 -47.061 128.559 1.00 69.73 ? 453 PHE A CD1 1 ATOM 2990 C CD2 . PHE A 1 425 ? 211.771 -46.353 126.272 1.00 52.22 ? 453 PHE A CD2 1 ATOM 2991 C CE1 . PHE A 1 425 ? 212.852 -47.828 128.368 1.00 65.03 ? 453 PHE A CE1 1 ATOM 2992 C CE2 . PHE A 1 425 ? 212.906 -47.135 126.067 1.00 58.51 ? 453 PHE A CE2 1 ATOM 2993 C CZ . PHE A 1 425 ? 213.449 -47.870 127.123 1.00 68.49 ? 453 PHE A CZ 1 ATOM 2994 N N . GLU A 1 426 ? 207.175 -46.046 129.567 1.00 49.09 ? 454 GLU A N 1 ATOM 2995 C CA . GLU A 1 426 ? 206.150 -45.458 130.414 1.00 54.10 ? 454 GLU A CA 1 ATOM 2996 C C . GLU A 1 426 ? 206.722 -45.216 131.804 1.00 64.07 ? 454 GLU A C 1 ATOM 2997 O O . GLU A 1 426 ? 207.681 -45.866 132.221 1.00 63.72 ? 454 GLU A O 1 ATOM 2998 C CB . GLU A 1 426 ? 204.927 -46.370 130.526 1.00 63.59 ? 454 GLU A CB 1 ATOM 2999 C CG . GLU A 1 426 ? 204.369 -46.827 129.202 1.00 61.75 ? 454 GLU A CG 1 ATOM 3000 C CD . GLU A 1 426 ? 203.251 -47.831 129.380 1.00 75.46 ? 454 GLU A CD 1 ATOM 3001 O OE1 . GLU A 1 426 ? 203.168 -48.449 130.470 1.00 91.73 ? 454 GLU A OE1 1 ATOM 3002 O OE2 . GLU A 1 426 ? 202.454 -47.996 128.431 1.00 70.94 ? 454 GLU A OE2 1 ATOM 3003 N N . TRP A 1 427 ? 206.127 -44.261 132.516 1.00 56.09 ? 455 TRP A N 1 ATOM 3004 C CA . TRP A 1 427 ? 206.392 -44.114 133.943 1.00 59.22 ? 455 TRP A CA 1 ATOM 3005 C C . TRP A 1 427 ? 205.579 -45.143 134.707 1.00 70.35 ? 455 TRP A C 1 ATOM 3006 O O . TRP A 1 427 ? 204.446 -45.465 134.329 1.00 67.87 ? 455 TRP A O 1 ATOM 3007 C CB . TRP A 1 427 ? 206.044 -42.710 134.458 1.00 62.40 ? 455 TRP A CB 1 ATOM 3008 C CG . TRP A 1 427 ? 206.918 -41.637 133.929 1.00 62.47 ? 455 TRP A CG 1 ATOM 3009 C CD1 . TRP A 1 427 ? 206.556 -40.643 133.061 1.00 58.46 ? 455 TRP A CD1 1 ATOM 3010 C CD2 . TRP A 1 427 ? 208.310 -41.433 134.208 1.00 64.68 ? 455 TRP A CD2 1 ATOM 3011 N NE1 . TRP A 1 427 ? 207.627 -39.833 132.801 1.00 58.65 ? 455 TRP A NE1 1 ATOM 3012 C CE2 . TRP A 1 427 ? 208.722 -40.304 133.470 1.00 61.68 ? 455 TRP A CE2 1 ATOM 3013 C CE3 . TRP A 1 427 ? 209.246 -42.096 134.998 1.00 72.03 ? 455 TRP A CE3 1 ATOM 3014 C CZ2 . TRP A 1 427 ? 210.024 -39.827 133.499 1.00 64.78 ? 455 TRP A CZ2 1 ATOM 3015 C CZ3 . TRP A 1 427 ? 210.540 -41.622 135.028 1.00 76.97 ? 455 TRP A CZ3 1 ATOM 3016 C CH2 . TRP A 1 427 ? 210.919 -40.499 134.284 1.00 80.91 ? 455 TRP A CH2 1 ATOM 3017 N N . SER A 1 428 ? 206.171 -45.673 135.780 1.00 61.75 ? 456 SER A N 1 ATOM 3018 C CA . SER A 1 428 ? 205.430 -46.585 136.647 1.00 68.36 ? 456 SER A CA 1 ATOM 3019 C C . SER A 1 428 ? 204.269 -45.868 137.329 1.00 73.35 ? 456 SER A C 1 ATOM 3020 O O . SER A 1 428 ? 203.223 -46.480 137.578 1.00 71.37 ? 456 SER A O 1 ATOM 3021 C CB . SER A 1 428 ? 206.372 -47.212 137.676 1.00 73.33 ? 456 SER A CB 1 ATOM 3022 O OG . SER A 1 428 ? 207.184 -46.225 138.292 1.00 81.69 ? 456 SER A OG 1 ATOM 3023 N N . ASP A 1 429 ? 204.400 -44.561 137.576 1.00 67.31 ? 457 ASP A N 1 ATOM 3024 C CA . ASP A 1 429 ? 203.306 -43.824 138.206 1.00 78.61 ? 457 ASP A CA 1 ATOM 3025 C C . ASP A 1 429 ? 202.249 -43.397 137.197 1.00 70.01 ? 457 ASP A C 1 ATOM 3026 O O . ASP A 1 429 ? 201.359 -42.610 137.542 1.00 72.20 ? 457 ASP A O 1 ATOM 3027 C CB . ASP A 1 429 ? 203.824 -42.628 139.033 1.00 91.39 ? 457 ASP A CB 1 ATOM 3028 C CG . ASP A 1 429 ? 204.352 -41.461 138.193 1.00 90.12 ? 457 ASP A CG 1 ATOM 3029 O OD1 . ASP A 1 429 ? 204.138 -41.406 136.966 1.00 77.33 ? 457 ASP A OD1 1 ATOM 3030 O OD2 . ASP A 1 429 ? 204.979 -40.560 138.800 1.00 96.03 ? 457 ASP A OD2 1 ATOM 3031 N N . GLY A 1 430 ? 202.376 -43.861 135.953 1.00 92.24 ? 458 GLY A N 1 ATOM 3032 C CA . GLY A 1 430 ? 201.349 -43.718 134.946 1.00 75.94 ? 458 GLY A CA 1 ATOM 3033 C C . GLY A 1 430 ? 201.250 -42.343 134.348 1.00 68.21 ? 458 GLY A C 1 ATOM 3034 O O . GLY A 1 430 ? 200.324 -42.082 133.573 1.00 62.69 ? 458 GLY A O 1 ATOM 3035 N N . SER A 1 431 ? 202.164 -41.450 134.684 1.00 75.83 ? 459 SER A N 1 ATOM 3036 C CA . SER A 1 431 ? 202.093 -40.103 134.163 1.00 69.25 ? 459 SER A CA 1 ATOM 3037 C C . SER A 1 431 ? 202.521 -40.073 132.696 1.00 64.40 ? 459 SER A C 1 ATOM 3038 O O . SER A 1 431 ? 203.209 -40.976 132.197 1.00 56.82 ? 459 SER A O 1 ATOM 3039 C CB . SER A 1 431 ? 202.967 -39.174 134.994 1.00 86.97 ? 459 SER A CB 1 ATOM 3040 O OG . SER A 1 431 ? 204.341 -39.429 134.772 1.00 87.59 ? 459 SER A OG 1 ATOM 3041 N N . LEU A 1 432 ? 202.085 -39.023 132.000 1.00 78.98 ? 460 LEU A N 1 ATOM 3042 C CA . LEU A 1 432 ? 202.483 -38.845 130.614 1.00 65.94 ? 460 LEU A CA 1 ATOM 3043 C C . LEU A 1 432 ? 203.996 -38.743 130.523 1.00 69.94 ? 460 LEU A C 1 ATOM 3044 O O . LEU A 1 432 ? 204.640 -38.106 131.362 1.00 88.25 ? 460 LEU A O 1 ATOM 3045 C CB . LEU A 1 432 ? 201.829 -37.588 130.024 1.00 62.13 ? 460 LEU A CB 1 ATOM 3046 C CG . LEU A 1 432 ? 200.325 -37.703 129.752 1.00 60.13 ? 460 LEU A CG 1 ATOM 3047 C CD1 . LEU A 1 432 ? 199.688 -36.386 129.382 1.00 60.93 ? 460 LEU A CD1 1 ATOM 3048 C CD2 . LEU A 1 432 ? 200.085 -38.726 128.662 1.00 50.86 ? 460 LEU A CD2 1 ATOM 3049 N N . VAL A 1 433 ? 204.573 -39.359 129.493 1.00 76.54 ? 461 VAL A N 1 ATOM 3050 C CA . VAL A 1 433 ? 205.995 -39.190 129.236 1.00 75.05 ? 461 VAL A CA 1 ATOM 3051 C C . VAL A 1 433 ? 206.087 -37.992 128.301 1.00 69.80 ? 461 VAL A C 1 ATOM 3052 O O . VAL A 1 433 ? 205.987 -38.133 127.082 1.00 61.30 ? 461 VAL A O 1 ATOM 3053 C CB . VAL A 1 433 ? 206.608 -40.440 128.603 1.00 58.13 ? 461 VAL A CB 1 ATOM 3054 C CG1 . VAL A 1 433 ? 208.128 -40.366 128.631 1.00 51.12 ? 461 VAL A CG1 1 ATOM 3055 C CG2 . VAL A 1 433 ? 206.073 -41.713 129.267 1.00 64.35 ? 461 VAL A CG2 1 ATOM 3056 N N . SER A 1 434 ? 206.318 -36.817 128.889 1.00 62.54 ? 462 SER A N 1 ATOM 3057 C CA . SER A 1 434 ? 206.417 -35.546 128.186 1.00 66.03 ? 462 SER A CA 1 ATOM 3058 C C . SER A 1 434 ? 207.840 -35.030 128.084 1.00 59.67 ? 462 SER A C 1 ATOM 3059 O O . SER A 1 434 ? 208.061 -33.958 127.502 1.00 62.17 ? 462 SER A O 1 ATOM 3060 C CB . SER A 1 434 ? 205.546 -34.498 128.886 1.00 90.74 ? 462 SER A CB 1 ATOM 3061 O OG . SER A 1 434 ? 204.296 -35.056 129.259 1.00 99.88 ? 462 SER A OG 1 ATOM 3062 N N . PHE A 1 435 ? 208.794 -35.721 128.697 1.00 54.06 ? 463 PHE A N 1 ATOM 3063 C CA . PHE A 1 435 ? 210.174 -35.274 128.760 1.00 55.23 ? 463 PHE A CA 1 ATOM 3064 C C . PHE A 1 435 ? 211.062 -36.497 128.930 1.00 55.40 ? 463 PHE A C 1 ATOM 3065 O O . PHE A 1 435 ? 210.702 -37.429 129.657 1.00 66.23 ? 463 PHE A O 1 ATOM 3066 C CB . PHE A 1 435 ? 210.353 -34.270 129.913 1.00 63.28 ? 463 PHE A CB 1 ATOM 3067 C CG . PHE A 1 435 ? 211.786 -34.033 130.316 1.00 78.02 ? 463 PHE A CG 1 ATOM 3068 C CD1 . PHE A 1 435 ? 212.554 -33.076 129.670 1.00 75.97 ? 463 PHE A CD1 1 ATOM 3069 C CD2 . PHE A 1 435 ? 212.357 -34.753 131.362 1.00 89.35 ? 463 PHE A CD2 1 ATOM 3070 C CE1 . PHE A 1 435 ? 213.870 -32.858 130.047 1.00 90.43 ? 463 PHE A CE1 1 ATOM 3071 C CE2 . PHE A 1 435 ? 213.669 -34.544 131.735 1.00 97.97 ? 463 PHE A CE2 1 ATOM 3072 C CZ . PHE A 1 435 ? 214.427 -33.596 131.082 1.00 101.95 ? 463 PHE A CZ 1 ATOM 3073 N N . THR A 1 436 ? 212.223 -36.485 128.274 1.00 67.53 ? 464 THR A N 1 ATOM 3074 C CA . THR A 1 436 ? 213.240 -37.511 128.461 1.00 79.08 ? 464 THR A CA 1 ATOM 3075 C C . THR A 1 436 ? 214.614 -36.874 128.365 1.00 97.24 ? 464 THR A C 1 ATOM 3076 O O . THR A 1 436 ? 214.839 -35.983 127.543 1.00 94.78 ? 464 THR A O 1 ATOM 3077 C CB . THR A 1 436 ? 213.165 -38.636 127.423 1.00 64.02 ? 464 THR A CB 1 ATOM 3078 O OG1 . THR A 1 436 ? 213.348 -38.080 126.118 1.00 53.43 ? 464 THR A OG1 1 ATOM 3079 C CG2 . THR A 1 436 ? 211.837 -39.378 127.488 1.00 50.64 ? 464 THR A CG2 1 ATOM 3080 N N . HIS A 1 437 ? 215.516 -37.309 129.234 1.00 77.05 ? 465 HIS A N 1 ATOM 3081 C CA . HIS A 1 437 ? 216.926 -36.938 129.172 1.00 94.88 ? 465 HIS A CA 1 ATOM 3082 C C . HIS A 1 437 ? 217.701 -38.249 129.120 1.00 88.91 ? 465 HIS A C 1 ATOM 3083 O O . HIS A 1 437 ? 217.877 -38.911 130.149 1.00 100.70 ? 465 HIS A O 1 ATOM 3084 C CB . HIS A 1 437 ? 217.297 -36.087 130.390 1.00 127.24 ? 465 HIS A CB 1 ATOM 3085 C CG . HIS A 1 437 ? 218.500 -35.216 130.197 1.00 147.50 ? 465 HIS A CG 1 ATOM 3086 N ND1 . HIS A 1 437 ? 219.644 -35.355 130.954 1.00 165.26 ? 465 HIS A ND1 1 ATOM 3087 C CD2 . HIS A 1 437 ? 218.730 -34.179 129.357 1.00 149.11 ? 465 HIS A CD2 1 ATOM 3088 C CE1 . HIS A 1 437 ? 220.530 -34.450 130.581 1.00 172.35 ? 465 HIS A CE1 1 ATOM 3089 N NE2 . HIS A 1 437 ? 220.001 -33.724 129.613 1.00 163.01 ? 465 HIS A NE2 1 ATOM 3090 N N . TRP A 1 438 ? 218.215 -38.602 127.950 1.00 111.39 ? 466 TRP A N 1 ATOM 3091 C CA . TRP A 1 438 ? 218.892 -39.874 127.784 1.00 114.16 ? 466 TRP A CA 1 ATOM 3092 C C . TRP A 1 438 ? 220.399 -39.641 127.747 1.00 132.91 ? 466 TRP A C 1 ATOM 3093 O O . TRP A 1 438 ? 220.886 -38.510 127.753 1.00 138.16 ? 466 TRP A O 1 ATOM 3094 C CB . TRP A 1 438 ? 218.414 -40.592 126.511 1.00 87.88 ? 466 TRP A CB 1 ATOM 3095 C CG . TRP A 1 438 ? 217.015 -41.220 126.555 1.00 75.02 ? 466 TRP A CG 1 ATOM 3096 C CD1 . TRP A 1 438 ? 215.906 -40.805 125.869 1.00 54.17 ? 466 TRP A CD1 1 ATOM 3097 C CD2 . TRP A 1 438 ? 216.606 -42.391 127.295 1.00 78.80 ? 466 TRP A CD2 1 ATOM 3098 N NE1 . TRP A 1 438 ? 214.833 -41.634 126.143 1.00 48.81 ? 466 TRP A NE1 1 ATOM 3099 C CE2 . TRP A 1 438 ? 215.236 -42.612 127.011 1.00 60.13 ? 466 TRP A CE2 1 ATOM 3100 C CE3 . TRP A 1 438 ? 217.261 -43.263 128.173 1.00 83.26 ? 466 TRP A CE3 1 ATOM 3101 C CZ2 . TRP A 1 438 ? 214.515 -43.657 127.581 1.00 58.12 ? 466 TRP A CZ2 1 ATOM 3102 C CZ3 . TRP A 1 438 ? 216.546 -44.301 128.732 1.00 82.33 ? 466 TRP A CZ3 1 ATOM 3103 C CH2 . TRP A 1 438 ? 215.186 -44.489 128.440 1.00 74.91 ? 466 TRP A CH2 1 ATOM 3104 N N . HIS A 1 439 ? 221.077 -40.638 127.704 1.00 97.96 ? 467 HIS A N 1 ATOM 3105 C CA . HIS A 1 439 ? 222.498 -40.780 127.448 1.00 115.12 ? 467 HIS A CA 1 ATOM 3106 C C . HIS A 1 439 ? 222.720 -41.126 125.989 1.00 88.87 ? 467 HIS A C 1 ATOM 3107 O O . HIS A 1 439 ? 222.022 -41.988 125.445 1.00 74.88 ? 467 HIS A O 1 ATOM 3108 C CB . HIS A 1 439 ? 223.113 -41.870 128.327 1.00 148.60 ? 467 HIS A CB 1 ATOM 3109 C CG . HIS A 1 439 ? 224.549 -42.163 128.018 1.00 176.73 ? 467 HIS A CG 1 ATOM 3110 N ND1 . HIS A 1 439 ? 225.557 -41.247 128.227 1.00 195.48 ? 467 HIS A ND1 1 ATOM 3111 C CD2 . HIS A 1 439 ? 225.148 -43.276 127.529 1.00 184.41 ? 467 HIS A CD2 1 ATOM 3112 C CE1 . HIS A 1 439 ? 226.714 -41.780 127.876 1.00 207.02 ? 467 HIS A CE1 1 ATOM 3113 N NE2 . HIS A 1 439 ? 226.494 -43.010 127.448 1.00 200.68 ? 467 HIS A NE2 1 ATOM 3114 N N . PRO A 1 440 ? 223.661 -40.453 125.341 1.00 113.62 ? 468 PRO A N 1 ATOM 3115 C CA . PRO A 1 440 ? 223.972 -40.789 123.952 1.00 100.80 ? 468 PRO A CA 1 ATOM 3116 C C . PRO A 1 440 ? 224.185 -42.285 123.797 1.00 97.36 ? 468 PRO A C 1 ATOM 3117 O O . PRO A 1 440 ? 224.931 -42.900 124.560 1.00 113.74 ? 468 PRO A O 1 ATOM 3118 C CB . PRO A 1 440 ? 225.255 -39.999 123.688 1.00 111.89 ? 468 PRO A CB 1 ATOM 3119 C CG . PRO A 1 440 ? 225.128 -38.799 124.578 1.00 121.74 ? 468 PRO A CG 1 ATOM 3120 C CD . PRO A 1 440 ? 224.431 -39.293 125.820 1.00 123.88 ? 468 PRO A CD 1 ATOM 3121 N N . PHE A 1 441 ? 223.506 -42.868 122.808 1.00 92.92 ? 469 PHE A N 1 ATOM 3122 C CA . PHE A 1 441 ? 223.396 -44.304 122.538 1.00 96.35 ? 469 PHE A CA 1 ATOM 3123 C C . PHE A 1 441 ? 222.346 -44.992 123.416 1.00 86.60 ? 469 PHE A C 1 ATOM 3124 O O . PHE A 1 441 ? 222.231 -46.232 123.345 1.00 76.97 ? 469 PHE A O 1 ATOM 3125 C CB . PHE A 1 441 ? 224.733 -45.056 122.662 1.00 118.20 ? 469 PHE A CB 1 ATOM 3126 C CG . PHE A 1 441 ? 225.754 -44.643 121.639 1.00 124.03 ? 469 PHE A CG 1 ATOM 3127 C CD1 . PHE A 1 441 ? 225.856 -45.318 120.434 1.00 116.49 ? 469 PHE A CD1 1 ATOM 3128 C CD2 . PHE A 1 441 ? 226.604 -43.576 121.878 1.00 135.57 ? 469 PHE A CD2 1 ATOM 3129 C CE1 . PHE A 1 441 ? 226.791 -44.941 119.491 1.00 119.40 ? 469 PHE A CE1 1 ATOM 3130 C CE2 . PHE A 1 441 ? 227.539 -43.195 120.940 1.00 139.10 ? 469 PHE A CE2 1 ATOM 3131 C CZ . PHE A 1 441 ? 227.634 -43.878 119.747 1.00 131.55 ? 469 PHE A CZ 1 ATOM 3132 N N . GLU A 1 442 ? 221.625 -44.273 124.274 1.00 80.79 ? 470 GLU A N 1 ATOM 3133 C CA . GLU A 1 442 ? 220.591 -44.913 125.086 1.00 85.92 ? 470 GLU A CA 1 ATOM 3134 C C . GLU A 1 442 ? 219.180 -44.462 124.680 1.00 67.18 ? 470 GLU A C 1 ATOM 3135 O O . GLU A 1 442 ? 218.996 -43.328 124.232 1.00 66.53 ? 470 GLU A O 1 ATOM 3136 C CB . GLU A 1 442 ? 220.832 -44.624 126.576 1.00 107.74 ? 470 GLU A CB 1 ATOM 3137 C CG . GLU A 1 442 ? 222.231 -44.974 127.070 1.00 127.09 ? 470 GLU A CG 1 ATOM 3138 C CD . GLU A 1 442 ? 222.449 -46.460 127.249 1.00 137.33 ? 470 GLU A CD 1 ATOM 3139 O OE1 . GLU A 1 442 ? 221.513 -47.238 126.989 1.00 136.98 ? 470 GLU A OE1 1 ATOM 3140 O OE2 . GLU A 1 442 ? 223.556 -46.854 127.669 1.00 148.61 ? 470 GLU A OE2 1 ATOM 3141 N N . PRO A 1 443 ? 218.172 -45.340 124.850 1.00 86.06 ? 471 PRO A N 1 ATOM 3142 C CA . PRO A 1 443 ? 218.255 -46.731 125.313 1.00 88.99 ? 471 PRO A CA 1 ATOM 3143 C C . PRO A 1 443 ? 218.946 -47.642 124.307 1.00 85.80 ? 471 PRO A C 1 ATOM 3144 O O . PRO A 1 443 ? 219.003 -47.311 123.133 1.00 76.32 ? 471 PRO A O 1 ATOM 3145 C CB . PRO A 1 443 ? 216.788 -47.140 125.491 1.00 76.81 ? 471 PRO A CB 1 ATOM 3146 C CG . PRO A 1 443 ? 216.024 -45.880 125.472 1.00 76.40 ? 471 PRO A CG 1 ATOM 3147 C CD . PRO A 1 443 ? 216.780 -44.935 124.620 1.00 74.64 ? 471 PRO A CD 1 ATOM 3148 N N . ASN A 1 444 ? 219.458 -48.775 124.782 1.00 84.16 ? 472 ASN A N 1 ATOM 3149 C CA . ASN A 1 444 ? 220.354 -49.618 124.003 1.00 91.72 ? 472 ASN A CA 1 ATOM 3150 C C . ASN A 1 444 ? 219.870 -51.064 123.988 1.00 93.40 ? 472 ASN A C 1 ATOM 3151 O O . ASN A 1 444 ? 219.724 -51.652 122.913 1.00 78.90 ? 472 ASN A O 1 ATOM 3152 C CB . ASN A 1 444 ? 221.795 -49.520 124.523 1.00 110.10 ? 472 ASN A CB 1 ATOM 3153 C CG . ASN A 1 444 ? 221.940 -50.025 125.934 1.00 129.88 ? 472 ASN A CG 1 ATOM 3154 O OD1 . ASN A 1 444 ? 220.946 -50.314 126.593 1.00 132.70 ? 472 ASN A OD1 1 ATOM 3155 N ND2 . ASN A 1 444 ? 223.175 -50.129 126.412 1.00 144.37 ? 472 ASN A ND2 1 ATOM 3156 N N . ASN A 1 445 ? 219.659 -51.652 125.170 1.00 107.29 ? 473 ASN A N 1 ATOM 3157 C CA . ASN A 1 445 ? 219.618 -53.103 125.365 1.00 110.47 ? 473 ASN A CA 1 ATOM 3158 C C . ASN A 1 445 ? 220.987 -53.711 125.042 1.00 118.54 ? 473 ASN A C 1 ATOM 3159 O O . ASN A 1 445 ? 221.182 -54.399 124.042 1.00 112.23 ? 473 ASN A O 1 ATOM 3160 C CB . ASN A 1 445 ? 218.509 -53.759 124.527 1.00 96.40 ? 473 ASN A CB 1 ATOM 3161 C CG . ASN A 1 445 ? 217.111 -53.488 125.067 1.00 84.00 ? 473 ASN A CG 1 ATOM 3162 O OD1 . ASN A 1 445 ? 216.933 -53.145 126.236 1.00 90.57 ? 473 ASN A OD1 1 ATOM 3163 N ND2 . ASN A 1 445 ? 216.107 -53.658 124.209 1.00 62.35 ? 473 ASN A ND2 1 ATOM 3164 N N . PHE A 1 446 ? 221.928 -53.426 125.946 1.00 100.80 ? 474 PHE A N 1 ATOM 3165 C CA . PHE A 1 446 ? 223.343 -53.719 125.739 1.00 114.56 ? 474 PHE A CA 1 ATOM 3166 C C . PHE A 1 446 ? 223.555 -55.169 125.323 1.00 121.62 ? 474 PHE A C 1 ATOM 3167 O O . PHE A 1 446 ? 222.865 -56.074 125.799 1.00 119.78 ? 474 PHE A O 1 ATOM 3168 C CB . PHE A 1 446 ? 224.116 -53.424 127.025 1.00 135.34 ? 474 PHE A CB 1 ATOM 3169 C CG . PHE A 1 446 ? 225.417 -52.713 126.807 1.00 149.09 ? 474 PHE A CG 1 ATOM 3170 C CD1 . PHE A 1 446 ? 226.276 -53.096 125.792 1.00 147.57 ? 474 PHE A CD1 1 ATOM 3171 C CD2 . PHE A 1 446 ? 225.781 -51.655 127.622 1.00 161.76 ? 474 PHE A CD2 1 ATOM 3172 C CE1 . PHE A 1 446 ? 227.474 -52.437 125.597 1.00 156.55 ? 474 PHE A CE1 1 ATOM 3173 C CE2 . PHE A 1 446 ? 226.974 -50.991 127.430 1.00 168.78 ? 474 PHE A CE2 1 ATOM 3174 C CZ . PHE A 1 446 ? 227.823 -51.382 126.418 1.00 165.99 ? 474 PHE A CZ 1 ATOM 3175 N N . ARG A 1 447 ? 224.520 -55.378 124.431 1.00 126.32 ? 475 ARG A N 1 ATOM 3176 C CA . ARG A 1 447 ? 224.700 -56.646 123.694 1.00 128.53 ? 475 ARG A CA 1 ATOM 3177 C C . ARG A 1 447 ? 223.367 -56.903 122.985 1.00 108.63 ? 475 ARG A C 1 ATOM 3178 O O . ARG A 1 447 ? 222.798 -55.972 122.398 1.00 98.70 ? 475 ARG A O 1 ATOM 3179 C CB . ARG A 1 447 ? 225.171 -57.752 124.625 1.00 147.64 ? 475 ARG A CB 1 ATOM 3180 C CG . ARG A 1 447 ? 225.951 -58.858 123.928 1.00 156.40 ? 475 ARG A CG 1 ATOM 3181 C CD . ARG A 1 447 ? 227.153 -58.282 123.202 1.00 162.41 ? 475 ARG A CD 1 ATOM 3182 N NE . ARG A 1 447 ? 228.067 -57.610 124.121 1.00 178.05 ? 475 ARG A NE 1 ATOM 3183 C CZ . ARG A 1 447 ? 228.935 -56.672 123.758 1.00 181.06 ? 475 ARG A CZ 1 ATOM 3184 N NH1 . ARG A 1 447 ? 229.003 -56.282 122.493 1.00 170.88 ? 475 ARG A NH1 1 ATOM 3185 N NH2 . ARG A 1 447 ? 229.729 -56.116 124.663 1.00 194.01 ? 475 ARG A NH2 1 ATOM 3186 N N . ASP A 1 448 ? 222.844 -58.121 122.990 1.00 128.58 ? 476 ASP A N 1 ATOM 3187 C CA . ASP A 1 448 ? 221.413 -58.318 122.790 1.00 112.44 ? 476 ASP A CA 1 ATOM 3188 C C . ASP A 1 448 ? 220.915 -58.875 124.117 1.00 118.01 ? 476 ASP A C 1 ATOM 3189 O O . ASP A 1 448 ? 221.045 -60.071 124.391 1.00 119.30 ? 476 ASP A O 1 ATOM 3190 C CB . ASP A 1 448 ? 221.133 -59.255 121.617 1.00 106.62 ? 476 ASP A CB 1 ATOM 3191 C CG . ASP A 1 448 ? 220.125 -58.680 120.624 1.00 92.46 ? 476 ASP A CG 1 ATOM 3192 O OD1 . ASP A 1 448 ? 220.524 -57.860 119.763 1.00 83.97 ? 476 ASP A OD1 1 ATOM 3193 O OD2 . ASP A 1 448 ? 218.933 -59.060 120.690 1.00 89.59 ? 476 ASP A OD2 1 ATOM 3194 N N . SER A 1 449 ? 220.331 -57.998 124.928 1.00 101.23 ? 477 SER A N 1 ATOM 3195 C CA . SER A 1 449 ? 219.860 -58.350 126.259 1.00 110.71 ? 477 SER A CA 1 ATOM 3196 C C . SER A 1 449 ? 218.793 -57.347 126.656 1.00 96.56 ? 477 SER A C 1 ATOM 3197 O O . SER A 1 449 ? 218.876 -56.169 126.304 1.00 93.33 ? 477 SER A O 1 ATOM 3198 C CB . SER A 1 449 ? 220.999 -58.353 127.285 1.00 134.84 ? 477 SER A CB 1 ATOM 3199 O OG . SER A 1 449 ? 221.501 -57.043 127.498 1.00 140.73 ? 477 SER A OG 1 ATOM 3200 N N . LEU A 1 450 ? 217.818 -57.805 127.429 1.00 102.08 ? 478 LEU A N 1 ATOM 3201 C CA . LEU A 1 450 ? 216.737 -56.919 127.828 1.00 82.45 ? 478 LEU A CA 1 ATOM 3202 C C . LEU A 1 450 ? 217.227 -56.028 128.957 1.00 92.14 ? 478 LEU A C 1 ATOM 3203 O O . LEU A 1 450 ? 217.544 -56.513 130.047 1.00 103.85 ? 478 LEU A O 1 ATOM 3204 C CB . LEU A 1 450 ? 215.519 -57.726 128.273 1.00 72.93 ? 478 LEU A CB 1 ATOM 3205 C CG . LEU A 1 450 ? 215.018 -58.811 127.321 1.00 65.69 ? 478 LEU A CG 1 ATOM 3206 C CD1 . LEU A 1 450 ? 214.147 -59.804 128.070 1.00 76.21 ? 478 LEU A CD1 1 ATOM 3207 C CD2 . LEU A 1 450 ? 214.265 -58.217 126.133 1.00 52.41 ? 478 LEU A CD2 1 ATOM 3208 N N . GLU A 1 451 ? 217.280 -54.727 128.706 1.00 73.72 ? 479 GLU A N 1 ATOM 3209 C CA . GLU A 1 451 ? 217.459 -53.754 129.775 1.00 86.72 ? 479 GLU A CA 1 ATOM 3210 C C . GLU A 1 451 ? 216.164 -52.955 129.808 1.00 73.43 ? 479 GLU A C 1 ATOM 3211 O O . GLU A 1 451 ? 215.978 -52.018 129.026 1.00 68.32 ? 479 GLU A O 1 ATOM 3212 C CB . GLU A 1 451 ? 218.693 -52.897 129.511 1.00 100.64 ? 479 GLU A CB 1 ATOM 3213 C CG . GLU A 1 451 ? 219.963 -53.737 129.396 1.00 122.27 ? 479 GLU A CG 1 ATOM 3214 C CD . GLU A 1 451 ? 221.231 -52.913 129.313 1.00 140.84 ? 479 GLU A CD 1 ATOM 3215 O OE1 . GLU A 1 451 ? 221.217 -51.869 128.638 1.00 135.95 ? 479 GLU A OE1 1 ATOM 3216 O OE2 . GLU A 1 451 ? 222.246 -53.311 129.922 1.00 159.26 ? 479 GLU A OE2 1 ATOM 3217 N N . ASP A 1 452 ? 215.280 -53.315 130.732 1.00 82.65 ? 480 ASP A N 1 ATOM 3218 C CA . ASP A 1 452 ? 213.911 -52.826 130.710 1.00 69.47 ? 480 ASP A CA 1 ATOM 3219 C C . ASP A 1 452 ? 213.635 -51.714 131.715 1.00 78.14 ? 480 ASP A C 1 ATOM 3220 O O . ASP A 1 452 ? 212.485 -51.285 131.834 1.00 64.08 ? 480 ASP A O 1 ATOM 3221 C CB . ASP A 1 452 ? 212.939 -53.988 130.918 1.00 62.76 ? 480 ASP A CB 1 ATOM 3222 C CG . ASP A 1 452 ? 212.972 -54.987 129.769 1.00 60.85 ? 480 ASP A CG 1 ATOM 3223 O OD1 . ASP A 1 452 ? 213.494 -54.622 128.702 1.00 62.75 ? 480 ASP A OD1 1 ATOM 3224 O OD2 . ASP A 1 452 ? 212.480 -56.135 129.921 1.00 64.83 ? 480 ASP A OD2 1 ATOM 3225 N N . CYS A 1 453 ? 214.638 -51.266 132.463 1.00 61.65 ? 481 CYS A N 1 ATOM 3226 C CA . CYS A 1 453 ? 214.448 -50.267 133.506 1.00 72.15 ? 481 CYS A CA 1 ATOM 3227 C C . CYS A 1 453 ? 215.520 -49.194 133.379 1.00 80.81 ? 481 CYS A C 1 ATOM 3228 O O . CYS A 1 453 ? 216.588 -49.424 132.810 1.00 89.19 ? 481 CYS A O 1 ATOM 3229 C CB . CYS A 1 453 ? 214.478 -50.908 134.893 1.00 88.03 ? 481 CYS A CB 1 ATOM 3230 S SG . CYS A 1 453 ? 213.109 -52.053 135.180 1.00 75.48 ? 481 CYS A SG 1 ATOM 3231 N N . VAL A 1 454 ? 215.228 -48.011 133.913 1.00 75.36 ? 482 VAL A N 1 ATOM 3232 C CA . VAL A 1 454 ? 216.000 -46.813 133.605 1.00 73.29 ? 482 VAL A CA 1 ATOM 3233 C C . VAL A 1 454 ? 216.667 -46.269 134.863 1.00 89.93 ? 482 VAL A C 1 ATOM 3234 O O . VAL A 1 454 ? 216.037 -46.185 135.923 1.00 100.15 ? 482 VAL A O 1 ATOM 3235 C CB . VAL A 1 454 ? 215.100 -45.750 132.937 1.00 68.07 ? 482 VAL A CB 1 ATOM 3236 C CG1 . VAL A 1 454 ? 215.894 -44.497 132.573 1.00 68.33 ? 482 VAL A CG1 1 ATOM 3237 C CG2 . VAL A 1 454 ? 214.431 -46.352 131.706 1.00 64.79 ? 482 VAL A CG2 1 ATOM 3238 N N . THR A 1 455 ? 217.944 -45.888 134.736 1.00 76.33 ? 483 THR A N 1 ATOM 3239 C CA . THR A 1 455 ? 218.732 -45.296 135.815 1.00 99.40 ? 483 THR A CA 1 ATOM 3240 C C . THR A 1 455 ? 219.087 -43.840 135.516 1.00 105.92 ? 483 THR A C 1 ATOM 3241 O O . THR A 1 455 ? 218.806 -43.312 134.439 1.00 93.55 ? 483 THR A O 1 ATOM 3242 C CB . THR A 1 455 ? 220.031 -46.080 136.050 1.00 106.73 ? 483 THR A CB 1 ATOM 3243 O OG1 . THR A 1 455 ? 220.874 -45.989 134.894 1.00 99.65 ? 483 THR A OG1 1 ATOM 3244 C CG2 . THR A 1 455 ? 219.745 -47.522 136.332 1.00 105.30 ? 483 THR A CG2 1 ATOM 3245 N N . ILE A 1 456 ? 219.688 -43.195 136.520 1.00 100.73 ? 484 ILE A N 1 ATOM 3246 C CA . ILE A 1 456 ? 220.206 -41.825 136.432 1.00 108.97 ? 484 ILE A CA 1 ATOM 3247 C C . ILE A 1 456 ? 221.741 -41.792 136.320 1.00 120.68 ? 484 ILE A C 1 ATOM 3248 O O . ILE A 1 456 ? 222.359 -40.776 136.627 1.00 136.28 ? 484 ILE A O 1 ATOM 3249 C CB . ILE A 1 456 ? 219.682 -40.938 137.575 1.00 96.71 ? 484 ILE A CB 1 ATOM 3250 C CG1 . ILE A 1 456 ? 218.156 -41.026 137.639 1.00 89.15 ? 484 ILE A CG1 1 ATOM 3251 C CG2 . ILE A 1 456 ? 219.996 -39.459 137.326 1.00 99.11 ? 484 ILE A CG2 1 ATOM 3252 C CD1 . ILE A 1 456 ? 217.440 -39.649 137.631 1.00 87.32 ? 484 ILE A CD1 1 ATOM 3253 N N . TRP A 1 457 ? 222.372 -42.906 135.951 1.00 118.38 ? 485 TRP A N 1 ATOM 3254 C CA . TRP A 1 457 ? 223.832 -43.014 135.923 1.00 129.11 ? 485 TRP A CA 1 ATOM 3255 C C . TRP A 1 457 ? 224.468 -41.767 135.317 1.00 120.39 ? 485 TRP A C 1 ATOM 3256 O O . TRP A 1 457 ? 224.090 -41.325 134.233 1.00 104.74 ? 485 TRP A O 1 ATOM 3257 C CB . TRP A 1 457 ? 224.202 -44.270 135.102 1.00 136.18 ? 485 TRP A CB 1 ATOM 3258 C CG . TRP A 1 457 ? 225.599 -44.391 134.446 1.00 140.73 ? 485 TRP A CG 1 ATOM 3259 C CD1 . TRP A 1 457 ? 226.330 -43.408 133.828 1.00 132.27 ? 485 TRP A CD1 1 ATOM 3260 C CD2 . TRP A 1 457 ? 226.380 -45.594 134.321 1.00 148.94 ? 485 TRP A CD2 1 ATOM 3261 N NE1 . TRP A 1 457 ? 227.514 -43.919 133.355 1.00 134.34 ? 485 TRP A NE1 1 ATOM 3262 C CE2 . TRP A 1 457 ? 227.569 -45.257 133.643 1.00 145.11 ? 485 TRP A CE2 1 ATOM 3263 C CE3 . TRP A 1 457 ? 226.192 -46.920 134.728 1.00 153.26 ? 485 TRP A CE3 1 ATOM 3264 C CZ2 . TRP A 1 457 ? 228.562 -46.196 133.367 1.00 148.61 ? 485 TRP A CZ2 1 ATOM 3265 C CZ3 . TRP A 1 457 ? 227.179 -47.848 134.453 1.00 154.31 ? 485 TRP A CZ3 1 ATOM 3266 C CH2 . TRP A 1 457 ? 228.348 -47.483 133.779 1.00 153.30 ? 485 TRP A CH2 1 ATOM 3267 N N . GLY A 1 458 ? 225.441 -41.199 136.033 1.00 119.50 ? 486 GLY A N 1 ATOM 3268 C CA . GLY A 1 458 ? 226.082 -39.969 135.616 1.00 124.08 ? 486 GLY A CA 1 ATOM 3269 C C . GLY A 1 458 ? 225.749 -38.758 136.475 1.00 139.52 ? 486 GLY A C 1 ATOM 3270 O O . GLY A 1 458 ? 224.753 -38.734 137.205 1.00 130.69 ? 486 GLY A O 1 ATOM 3271 N N . PRO A 1 459 ? 226.610 -37.733 136.418 1.00 117.22 ? 487 PRO A N 1 ATOM 3272 C CA . PRO A 1 459 ? 226.428 -36.574 137.314 1.00 145.34 ? 487 PRO A CA 1 ATOM 3273 C C . PRO A 1 459 ? 225.232 -35.684 136.997 1.00 142.91 ? 487 PRO A C 1 ATOM 3274 O O . PRO A 1 459 ? 224.508 -35.292 137.920 1.00 151.59 ? 487 PRO A O 1 ATOM 3275 C CB . PRO A 1 459 ? 227.751 -35.813 137.152 1.00 155.73 ? 487 PRO A CB 1 ATOM 3276 C CG . PRO A 1 459 ? 228.196 -36.145 135.768 1.00 148.30 ? 487 PRO A CG 1 ATOM 3277 C CD . PRO A 1 459 ? 227.779 -37.574 135.534 1.00 127.19 ? 487 PRO A CD 1 ATOM 3278 N N . GLU A 1 460 ? 224.993 -35.353 135.727 1.00 158.08 ? 488 GLU A N 1 ATOM 3279 C CA . GLU A 1 460 ? 224.088 -34.258 135.385 1.00 152.36 ? 488 GLU A CA 1 ATOM 3280 C C . GLU A 1 460 ? 222.639 -34.695 135.212 1.00 144.05 ? 488 GLU A C 1 ATOM 3281 O O . GLU A 1 460 ? 221.784 -33.852 134.916 1.00 134.55 ? 488 GLU A O 1 ATOM 3282 C CB . GLU A 1 460 ? 224.565 -33.557 134.112 1.00 142.65 ? 488 GLU A CB 1 ATOM 3283 C CG . GLU A 1 460 ? 224.231 -34.303 132.839 1.00 121.19 ? 488 GLU A CG 1 ATOM 3284 C CD . GLU A 1 460 ? 225.314 -34.163 131.792 1.00 119.70 ? 488 GLU A CD 1 ATOM 3285 O OE1 . GLU A 1 460 ? 226.503 -34.179 132.181 1.00 133.03 ? 488 GLU A OE1 1 ATOM 3286 O OE2 . GLU A 1 460 ? 224.980 -34.034 130.590 1.00 103.49 ? 488 GLU A OE2 1 ATOM 3287 N N . GLY A 1 461 ? 222.343 -35.978 135.388 1.00 151.23 ? 489 GLY A N 1 ATOM 3288 C CA . GLY A 1 461 ? 220.978 -36.451 135.409 1.00 134.51 ? 489 GLY A CA 1 ATOM 3289 C C . GLY A 1 461 ? 220.473 -37.122 134.152 1.00 111.13 ? 489 GLY A C 1 ATOM 3290 O O . GLY A 1 461 ? 219.260 -37.322 134.034 1.00 111.40 ? 489 GLY A O 1 ATOM 3291 N N . ARG A 1 462 ? 221.349 -37.462 133.209 1.00 147.51 ? 490 ARG A N 1 ATOM 3292 C CA . ARG A 1 462 ? 220.928 -38.166 132.006 1.00 115.22 ? 490 ARG A CA 1 ATOM 3293 C C . ARG A 1 462 ? 220.755 -39.654 132.304 1.00 104.31 ? 490 ARG A C 1 ATOM 3294 O O . ARG A 1 462 ? 221.400 -40.203 133.200 1.00 119.15 ? 490 ARG A O 1 ATOM 3295 C CB . ARG A 1 462 ? 221.932 -37.932 130.873 1.00 114.33 ? 490 ARG A CB 1 ATOM 3296 C CG . ARG A 1 462 ? 222.882 -39.080 130.578 1.00 113.45 ? 490 ARG A CG 1 ATOM 3297 C CD . ARG A 1 462 ? 223.979 -39.236 131.617 1.00 133.09 ? 490 ARG A CD 1 ATOM 3298 N NE . ARG A 1 462 ? 224.909 -40.298 131.242 1.00 135.78 ? 490 ARG A NE 1 ATOM 3299 C CZ . ARG A 1 462 ? 224.635 -41.597 131.315 1.00 140.74 ? 490 ARG A CZ 1 ATOM 3300 N NH1 . ARG A 1 462 ? 223.449 -42.010 131.743 1.00 142.47 ? 490 ARG A NH1 1 ATOM 3301 N NH2 . ARG A 1 462 ? 225.546 -42.489 130.955 1.00 141.96 ? 490 ARG A NH2 1 ATOM 3302 N N . TRP A 1 463 ? 219.867 -40.306 131.554 1.00 123.76 ? 491 TRP A N 1 ATOM 3303 C CA . TRP A 1 463 ? 219.384 -41.626 131.939 1.00 108.51 ? 491 TRP A CA 1 ATOM 3304 C C . TRP A 1 463 ? 220.010 -42.741 131.111 1.00 96.92 ? 491 TRP A C 1 ATOM 3305 O O . TRP A 1 463 ? 220.722 -42.513 130.135 1.00 98.67 ? 491 TRP A O 1 ATOM 3306 C CB . TRP A 1 463 ? 217.864 -41.695 131.812 1.00 89.02 ? 491 TRP A CB 1 ATOM 3307 C CG . TRP A 1 463 ? 217.178 -40.551 132.441 1.00 93.03 ? 491 TRP A CG 1 ATOM 3308 C CD1 . TRP A 1 463 ? 217.659 -39.755 133.427 1.00 110.19 ? 491 TRP A CD1 1 ATOM 3309 C CD2 . TRP A 1 463 ? 215.885 -40.041 132.106 1.00 87.28 ? 491 TRP A CD2 1 ATOM 3310 N NE1 . TRP A 1 463 ? 216.746 -38.783 133.739 1.00 114.78 ? 491 TRP A NE1 1 ATOM 3311 C CE2 . TRP A 1 463 ? 215.646 -38.937 132.941 1.00 95.80 ? 491 TRP A CE2 1 ATOM 3312 C CE3 . TRP A 1 463 ? 214.906 -40.412 131.179 1.00 73.87 ? 491 TRP A CE3 1 ATOM 3313 C CZ2 . TRP A 1 463 ? 214.469 -38.205 132.889 1.00 89.72 ? 491 TRP A CZ2 1 ATOM 3314 C CZ3 . TRP A 1 463 ? 213.736 -39.683 131.127 1.00 68.32 ? 491 TRP A CZ3 1 ATOM 3315 C CH2 . TRP A 1 463 ? 213.527 -38.590 131.980 1.00 76.24 ? 491 TRP A CH2 1 ATOM 3316 N N . ASN A 1 464 ? 219.701 -43.971 131.513 1.00 92.39 ? 492 ASN A N 1 ATOM 3317 C CA . ASN A 1 464 ? 220.174 -45.172 130.841 1.00 87.04 ? 492 ASN A CA 1 ATOM 3318 C C . ASN A 1 464 ? 219.198 -46.299 131.139 1.00 81.52 ? 492 ASN A C 1 ATOM 3319 O O . ASN A 1 464 ? 218.615 -46.349 132.220 1.00 98.45 ? 492 ASN A O 1 ATOM 3320 C CB . ASN A 1 464 ? 221.590 -45.544 131.301 1.00 110.00 ? 492 ASN A CB 1 ATOM 3321 C CG . ASN A 1 464 ? 222.018 -46.916 130.826 1.00 117.98 ? 492 ASN A CG 1 ATOM 3322 O OD1 . ASN A 1 464 ? 221.532 -47.412 129.813 1.00 112.04 ? 492 ASN A OD1 1 ATOM 3323 N ND2 . ASN A 1 464 ? 222.927 -47.543 131.564 1.00 132.87 ? 492 ASN A ND2 1 ATOM 3324 N N . ASP A 1 465 ? 219.035 -47.211 130.186 1.00 96.86 ? 493 ASP A N 1 ATOM 3325 C CA . ASP A 1 465 ? 218.248 -48.415 130.410 1.00 94.58 ? 493 ASP A CA 1 ATOM 3326 C C . ASP A 1 465 ? 219.198 -49.567 130.704 1.00 105.33 ? 493 ASP A C 1 ATOM 3327 O O . ASP A 1 465 ? 220.127 -49.826 129.937 1.00 104.43 ? 493 ASP A O 1 ATOM 3328 C CB . ASP A 1 465 ? 217.346 -48.736 129.213 1.00 77.21 ? 493 ASP A CB 1 ATOM 3329 C CG . ASP A 1 465 ? 218.124 -49.119 127.979 1.00 80.08 ? 493 ASP A CG 1 ATOM 3330 O OD1 . ASP A 1 465 ? 219.198 -48.539 127.750 1.00 90.66 ? 493 ASP A OD1 1 ATOM 3331 O OD2 . ASP A 1 465 ? 217.668 -50.006 127.236 1.00 80.19 ? 493 ASP A OD2 1 ATOM 3332 N N . SER A 1 466 ? 218.980 -50.232 131.827 1.00 79.27 ? 494 SER A N 1 ATOM 3333 C CA . SER A 1 466 ? 219.879 -51.250 132.346 1.00 95.97 ? 494 SER A CA 1 ATOM 3334 C C . SER A 1 466 ? 219.036 -52.392 132.887 1.00 101.93 ? 494 SER A C 1 ATOM 3335 O O . SER A 1 466 ? 217.832 -52.223 133.114 1.00 92.43 ? 494 SER A O 1 ATOM 3336 C CB . SER A 1 466 ? 220.793 -50.676 133.438 1.00 114.03 ? 494 SER A CB 1 ATOM 3337 O OG . SER A 1 466 ? 220.042 -49.969 134.401 1.00 118.26 ? 494 SER A OG 1 ATOM 3338 N N . PRO A 1 467 ? 219.627 -53.579 133.077 1.00 93.10 ? 495 PRO A N 1 ATOM 3339 C CA . PRO A 1 467 ? 218.838 -54.724 133.553 1.00 92.56 ? 495 PRO A CA 1 ATOM 3340 C C . PRO A 1 467 ? 218.140 -54.430 134.873 1.00 89.43 ? 495 PRO A C 1 ATOM 3341 O O . PRO A 1 467 ? 218.733 -53.885 135.807 1.00 103.97 ? 495 PRO A O 1 ATOM 3342 C CB . PRO A 1 467 ? 219.879 -55.843 133.699 1.00 106.96 ? 495 PRO A CB 1 ATOM 3343 C CG . PRO A 1 467 ? 221.211 -55.169 133.639 1.00 118.09 ? 495 PRO A CG 1 ATOM 3344 C CD . PRO A 1 467 ? 221.017 -53.971 132.779 1.00 105.08 ? 495 PRO A CD 1 ATOM 3345 N N . CYS A 1 468 ? 216.862 -54.812 134.939 1.00 84.65 ? 496 CYS A N 1 ATOM 3346 C CA . CYS A 1 468 ? 216.006 -54.473 136.068 1.00 88.52 ? 496 CYS A CA 1 ATOM 3347 C C . CYS A 1 468 ? 216.424 -55.159 137.370 1.00 116.03 ? 496 CYS A C 1 ATOM 3348 O O . CYS A 1 468 ? 215.924 -54.770 138.430 1.00 129.54 ? 496 CYS A O 1 ATOM 3349 C CB . CYS A 1 468 ? 214.538 -54.811 135.742 1.00 73.46 ? 496 CYS A CB 1 ATOM 3350 S SG . CYS A 1 468 ? 213.709 -53.843 134.378 1.00 71.83 ? 496 CYS A SG 1 ATOM 3351 N N . ASN A 1 469 ? 217.311 -56.161 137.326 1.00 83.02 ? 497 ASN A N 1 ATOM 3352 C CA . ASN A 1 469 ? 217.748 -56.870 138.531 1.00 99.42 ? 497 ASN A CA 1 ATOM 3353 C C . ASN A 1 469 ? 219.026 -56.307 139.149 1.00 113.05 ? 497 ASN A C 1 ATOM 3354 O O . ASN A 1 469 ? 219.400 -56.736 140.246 1.00 132.34 ? 497 ASN A O 1 ATOM 3355 C CB . ASN A 1 469 ? 217.931 -58.375 138.245 1.00 100.77 ? 497 ASN A CB 1 ATOM 3356 C CG . ASN A 1 469 ? 219.038 -58.673 137.230 1.00 101.31 ? 497 ASN A CG 1 ATOM 3357 O OD1 . ASN A 1 469 ? 219.394 -57.831 136.397 1.00 93.14 ? 497 ASN A OD1 1 ATOM 3358 N ND2 . ASN A 1 469 ? 219.570 -59.894 137.285 1.00 109.22 ? 497 ASN A ND2 1 ATOM 3359 N N . GLN A 1 470 ? 219.700 -55.367 138.486 1.00 93.95 ? 498 GLN A N 1 ATOM 3360 C CA . GLN A 1 470 ? 220.857 -54.708 139.080 1.00 103.11 ? 498 GLN A CA 1 ATOM 3361 C C . GLN A 1 470 ? 220.447 -53.990 140.362 1.00 106.92 ? 498 GLN A C 1 ATOM 3362 O O . GLN A 1 470 ? 219.451 -53.261 140.382 1.00 95.09 ? 498 GLN A O 1 ATOM 3363 C CB . GLN A 1 470 ? 221.468 -53.720 138.082 1.00 98.25 ? 498 GLN A CB 1 ATOM 3364 C CG . GLN A 1 470 ? 222.671 -52.948 138.606 1.00 118.50 ? 498 GLN A CG 1 ATOM 3365 C CD . GLN A 1 470 ? 223.196 -51.927 137.608 1.00 117.84 ? 498 GLN A CD 1 ATOM 3366 O OE1 . GLN A 1 470 ? 222.789 -51.911 136.446 1.00 104.17 ? 498 GLN A OE1 1 ATOM 3367 N NE2 . GLN A 1 470 ? 224.102 -51.068 138.061 1.00 133.14 ? 498 GLN A NE2 1 ATOM 3368 N N . SER A 1 471 ? 221.226 -54.190 141.432 1.00 92.53 ? 499 SER A N 1 ATOM 3369 C CA . SER A 1 471 ? 220.868 -53.719 142.769 1.00 95.35 ? 499 SER A CA 1 ATOM 3370 C C . SER A 1 471 ? 221.391 -52.295 142.958 1.00 98.81 ? 499 SER A C 1 ATOM 3371 O O . SER A 1 471 ? 222.605 -52.072 143.011 1.00 105.34 ? 499 SER A O 1 ATOM 3372 C CB . SER A 1 471 ? 221.436 -54.665 143.826 1.00 106.91 ? 499 SER A CB 1 ATOM 3373 O OG . SER A 1 471 ? 220.818 -54.482 145.087 1.00 113.58 ? 499 SER A OG 1 ATOM 3374 N N . LEU A 1 472 ? 220.474 -51.338 143.080 1.00 107.36 ? 500 LEU A N 1 ATOM 3375 C CA . LEU A 1 472 ? 220.796 -49.919 143.029 1.00 108.73 ? 500 LEU A CA 1 ATOM 3376 C C . LEU A 1 472 ? 219.861 -49.167 143.966 1.00 109.20 ? 500 LEU A C 1 ATOM 3377 O O . LEU A 1 472 ? 218.781 -49.666 144.302 1.00 103.52 ? 500 LEU A O 1 ATOM 3378 C CB . LEU A 1 472 ? 220.665 -49.373 141.597 1.00 91.53 ? 500 LEU A CB 1 ATOM 3379 C CG . LEU A 1 472 ? 221.613 -49.878 140.503 1.00 89.26 ? 500 LEU A CG 1 ATOM 3380 C CD1 . LEU A 1 472 ? 221.078 -49.515 139.114 1.00 85.02 ? 500 LEU A CD1 1 ATOM 3381 C CD2 . LEU A 1 472 ? 223.012 -49.317 140.696 1.00 103.05 ? 500 LEU A CD2 1 ATOM 3382 N N . PRO A 1 473 ? 220.251 -47.952 144.414 1.00 101.16 ? 501 PRO A N 1 ATOM 3383 C CA . PRO A 1 473 ? 219.312 -47.096 145.163 1.00 103.69 ? 501 PRO A CA 1 ATOM 3384 C C . PRO A 1 473 ? 218.124 -46.651 144.318 1.00 95.31 ? 501 PRO A C 1 ATOM 3385 O O . PRO A 1 473 ? 218.088 -46.919 143.114 1.00 91.84 ? 501 PRO A O 1 ATOM 3386 C CB . PRO A 1 473 ? 220.175 -45.889 145.564 1.00 111.68 ? 501 PRO A CB 1 ATOM 3387 C CG . PRO A 1 473 ? 221.586 -46.332 145.407 1.00 121.04 ? 501 PRO A CG 1 ATOM 3388 C CD . PRO A 1 473 ? 221.593 -47.352 144.317 1.00 107.14 ? 501 PRO A CD 1 ATOM 3389 N N . SER A 1 474 ? 217.161 -45.945 144.910 1.00 101.88 ? 502 SER A N 1 ATOM 3390 C CA . SER A 1 474 ? 216.003 -45.500 144.146 1.00 95.37 ? 502 SER A CA 1 ATOM 3391 C C . SER A 1 474 ? 215.469 -44.201 144.733 1.00 96.10 ? 502 SER A C 1 ATOM 3392 O O . SER A 1 474 ? 215.911 -43.745 145.789 1.00 101.08 ? 502 SER A O 1 ATOM 3393 C CB . SER A 1 474 ? 214.907 -46.574 144.125 1.00 92.10 ? 502 SER A CB 1 ATOM 3394 O OG . SER A 1 474 ? 214.296 -46.708 145.395 1.00 90.81 ? 502 SER A OG 1 ATOM 3395 N N . ILE A 1 475 ? 214.479 -43.624 144.048 1.00 88.38 ? 503 ILE A N 1 ATOM 3396 C CA . ILE A 1 475 ? 213.837 -42.377 144.459 1.00 95.66 ? 503 ILE A CA 1 ATOM 3397 C C . ILE A 1 475 ? 212.329 -42.536 144.297 1.00 93.46 ? 503 ILE A C 1 ATOM 3398 O O . ILE A 1 475 ? 211.863 -43.131 143.320 1.00 85.56 ? 503 ILE A O 1 ATOM 3399 C CB . ILE A 1 475 ? 214.356 -41.172 143.640 1.00 95.44 ? 503 ILE A CB 1 ATOM 3400 C CG1 . ILE A 1 475 ? 215.868 -41.018 143.807 1.00 101.96 ? 503 ILE A CG1 1 ATOM 3401 C CG2 . ILE A 1 475 ? 213.639 -39.889 144.037 1.00 93.33 ? 503 ILE A CG2 1 ATOM 3402 C CD1 . ILE A 1 475 ? 216.424 -39.751 143.216 1.00 104.05 ? 503 ILE A CD1 1 ATOM 3403 N N . CYS A 1 476 ? 211.565 -41.988 145.240 1.00 91.08 ? 504 CYS A N 1 ATOM 3404 C CA . CYS A 1 476 ? 210.109 -42.046 145.193 1.00 89.06 ? 504 CYS A CA 1 ATOM 3405 C C . CYS A 1 476 ? 209.544 -40.629 145.168 1.00 96.57 ? 504 CYS A C 1 ATOM 3406 O O . CYS A 1 476 ? 210.258 -39.649 145.392 1.00 104.67 ? 504 CYS A O 1 ATOM 3407 C CB . CYS A 1 476 ? 209.527 -42.829 146.382 1.00 91.18 ? 504 CYS A CB 1 ATOM 3408 S SG . CYS A 1 476 ? 210.322 -44.415 146.821 1.00 101.01 ? 504 CYS A SG 1 ATOM 3409 N N . LYS A 1 477 ? 208.252 -40.521 144.844 1.00 90.29 ? 505 LYS A N 1 ATOM 3410 C CA . LYS A 1 477 ? 207.582 -39.227 144.744 1.00 102.78 ? 505 LYS A CA 1 ATOM 3411 C C . LYS A 1 477 ? 206.110 -39.364 145.114 1.00 104.66 ? 505 LYS A C 1 ATOM 3412 O O . LYS A 1 477 ? 205.480 -40.382 144.811 1.00 102.01 ? 505 LYS A O 1 ATOM 3413 C CB . LYS A 1 477 ? 207.710 -38.632 143.330 1.00 100.81 ? 505 LYS A CB 1 ATOM 3414 C CG . LYS A 1 477 ? 206.505 -37.786 142.872 1.00 91.11 ? 505 LYS A CG 1 ATOM 3415 C CD . LYS A 1 477 ? 206.857 -36.808 141.751 1.00 101.19 ? 505 LYS A CD 1 ATOM 3416 C CE . LYS A 1 477 ? 206.515 -37.355 140.371 1.00 92.17 ? 505 LYS A CE 1 ATOM 3417 N NZ . LYS A 1 477 ? 205.087 -37.166 139.949 1.00 85.44 ? 505 LYS A NZ 1 ATOM 3418 N N . LYS A 1 478 ? 205.577 -38.334 145.779 1.00 90.17 ? 506 LYS A N 1 ATOM 3419 C CA . LYS A 1 478 ? 204.134 -38.166 145.952 1.00 90.34 ? 506 LYS A CA 1 ATOM 3420 C C . LYS A 1 478 ? 203.837 -36.729 146.343 1.00 92.50 ? 506 LYS A C 1 ATOM 3421 O O . LYS A 1 478 ? 204.755 -35.967 146.640 1.00 94.27 ? 506 LYS A O 1 ATOM 3422 C CB . LYS A 1 478 ? 203.576 -39.137 146.997 1.00 97.70 ? 506 LYS A CB 1 ATOM 3423 C CG . LYS A 1 478 ? 204.106 -38.936 148.416 1.00 110.57 ? 506 LYS A CG 1 ATOM 3424 C CD . LYS A 1 478 ? 203.490 -39.950 149.370 1.00 111.03 ? 506 LYS A CD 1 ATOM 3425 C CE . LYS A 1 478 ? 204.098 -39.863 150.763 1.00 103.51 ? 506 LYS A CE 1 ATOM 3426 N NZ . LYS A 1 478 ? 203.579 -40.944 151.642 1.00 105.37 ? 506 LYS A NZ 1 ATOM 3427 N N . GLU B 1 12 ? 190.561 -86.574 97.879 1.00 107.38 ? 40 GLU B N 1 ATOM 3428 C CA . GLU B 1 12 ? 189.650 -85.462 97.632 1.00 89.74 ? 40 GLU B CA 1 ATOM 3429 C C . GLU B 1 12 ? 188.369 -85.635 98.447 1.00 76.24 ? 40 GLU B C 1 ATOM 3430 O O . GLU B 1 12 ? 187.722 -86.670 98.382 1.00 72.90 ? 40 GLU B O 1 ATOM 3431 C CB . GLU B 1 12 ? 189.334 -85.351 96.140 1.00 78.99 ? 40 GLU B CB 1 ATOM 3432 C CG . GLU B 1 12 ? 188.538 -84.118 95.742 1.00 61.36 ? 40 GLU B CG 1 ATOM 3433 C CD . GLU B 1 12 ? 187.921 -84.279 94.362 1.00 58.13 ? 40 GLU B CD 1 ATOM 3434 O OE1 . GLU B 1 12 ? 188.363 -85.194 93.627 1.00 58.19 ? 40 GLU B OE1 1 ATOM 3435 O OE2 . GLU B 1 12 ? 186.978 -83.519 94.012 1.00 53.14 ? 40 GLU B OE2 1 ATOM 3436 N N . PRO B 1 13 ? 188.029 -84.621 99.234 1.00 77.04 ? 41 PRO B N 1 ATOM 3437 C CA . PRO B 1 13 ? 186.881 -84.724 100.139 1.00 73.06 ? 41 PRO B CA 1 ATOM 3438 C C . PRO B 1 13 ? 185.556 -84.532 99.412 1.00 60.28 ? 41 PRO B C 1 ATOM 3439 O O . PRO B 1 13 ? 185.500 -84.034 98.284 1.00 53.13 ? 41 PRO B O 1 ATOM 3440 C CB . PRO B 1 13 ? 187.135 -83.586 101.127 1.00 67.45 ? 41 PRO B CB 1 ATOM 3441 C CG . PRO B 1 13 ? 187.775 -82.528 100.246 1.00 62.48 ? 41 PRO B CG 1 ATOM 3442 C CD . PRO B 1 13 ? 188.626 -83.272 99.247 1.00 67.08 ? 41 PRO B CD 1 ATOM 3443 N N . ASN B 1 14 ? 184.476 -84.940 100.094 1.00 70.41 ? 42 ASN B N 1 ATOM 3444 C CA . ASN B 1 14 ? 183.079 -84.768 99.673 1.00 59.36 ? 42 ASN B CA 1 ATOM 3445 C C . ASN B 1 14 ? 182.676 -85.810 98.634 1.00 50.75 ? 42 ASN B C 1 ATOM 3446 O O . ASN B 1 14 ? 181.549 -85.748 98.115 1.00 47.39 ? 42 ASN B O 1 ATOM 3447 C CB . ASN B 1 14 ? 182.779 -83.359 99.130 1.00 48.89 ? 42 ASN B CB 1 ATOM 3448 C CG . ASN B 1 14 ? 183.036 -82.290 100.160 1.00 49.71 ? 42 ASN B CG 1 ATOM 3449 O OD1 . ASN B 1 14 ? 182.734 -82.481 101.336 1.00 53.68 ? 42 ASN B OD1 1 ATOM 3450 N ND2 . ASN B 1 14 ? 183.611 -81.160 99.734 1.00 50.05 ? 42 ASN B ND2 1 ATOM 3451 N N . ILE B 1 15 ? 183.572 -86.718 98.271 1.00 48.71 ? 43 ILE B N 1 ATOM 3452 C CA . ILE B 1 15 ? 183.341 -87.699 97.225 1.00 47.91 ? 43 ILE B CA 1 ATOM 3453 C C . ILE B 1 15 ? 182.959 -89.024 97.858 1.00 49.76 ? 43 ILE B C 1 ATOM 3454 O O . ILE B 1 15 ? 183.607 -89.473 98.809 1.00 53.52 ? 43 ILE B O 1 ATOM 3455 C CB . ILE B 1 15 ? 184.589 -87.838 96.348 1.00 49.72 ? 43 ILE B CB 1 ATOM 3456 C CG1 . ILE B 1 15 ? 184.913 -86.435 95.804 1.00 47.54 ? 43 ILE B CG1 1 ATOM 3457 C CG2 . ILE B 1 15 ? 184.400 -88.970 95.310 1.00 49.50 ? 43 ILE B CG2 1 ATOM 3458 C CD1 . ILE B 1 15 ? 185.224 -86.359 94.362 1.00 47.50 ? 43 ILE B CD1 1 ATOM 3459 N N . PHE B 1 16 ? 181.910 -89.657 97.335 1.00 50.19 ? 44 PHE B N 1 ATOM 3460 C CA . PHE B 1 16 ? 181.392 -90.855 97.984 1.00 52.17 ? 44 PHE B CA 1 ATOM 3461 C C . PHE B 1 16 ? 180.838 -91.828 96.954 1.00 49.90 ? 44 PHE B C 1 ATOM 3462 O O . PHE B 1 16 ? 180.467 -91.452 95.837 1.00 46.80 ? 44 PHE B O 1 ATOM 3463 C CB . PHE B 1 16 ? 180.311 -90.503 99.013 1.00 50.52 ? 44 PHE B CB 1 ATOM 3464 C CG . PHE B 1 16 ? 179.185 -89.670 98.450 1.00 46.52 ? 44 PHE B CG 1 ATOM 3465 C CD1 . PHE B 1 16 ? 179.342 -88.291 98.267 1.00 45.35 ? 44 PHE B CD1 1 ATOM 3466 C CD2 . PHE B 1 16 ? 177.960 -90.266 98.101 1.00 45.69 ? 44 PHE B CD2 1 ATOM 3467 C CE1 . PHE B 1 16 ? 178.301 -87.518 97.756 1.00 43.55 ? 44 PHE B CE1 1 ATOM 3468 C CE2 . PHE B 1 16 ? 176.916 -89.499 97.594 1.00 43.87 ? 44 PHE B CE2 1 ATOM 3469 C CZ . PHE B 1 16 ? 177.087 -88.116 97.417 1.00 42.87 ? 44 PHE B CZ 1 ATOM 3470 N N . LEU B 1 17 ? 180.813 -93.093 97.355 1.00 52.43 ? 45 LEU B N 1 ATOM 3471 C CA . LEU B 1 17 ? 180.149 -94.163 96.639 1.00 51.92 ? 45 LEU B CA 1 ATOM 3472 C C . LEU B 1 17 ? 178.748 -94.357 97.213 1.00 48.47 ? 45 LEU B C 1 ATOM 3473 O O . LEU B 1 17 ? 178.520 -94.160 98.414 1.00 49.54 ? 45 LEU B O 1 ATOM 3474 C CB . LEU B 1 17 ? 180.948 -95.466 96.747 1.00 63.10 ? 45 LEU B CB 1 ATOM 3475 C CG . LEU B 1 17 ? 182.077 -95.684 95.739 1.00 68.60 ? 45 LEU B CG 1 ATOM 3476 C CD1 . LEU B 1 17 ? 183.197 -94.677 95.929 1.00 67.24 ? 45 LEU B CD1 1 ATOM 3477 C CD2 . LEU B 1 17 ? 182.606 -97.112 95.809 1.00 81.49 ? 45 LEU B CD2 1 ATOM 3478 N N . ILE B 1 18 ? 177.812 -94.729 96.342 1.00 49.91 ? 46 ILE B N 1 ATOM 3479 C CA . ILE B 1 18 ? 176.402 -94.858 96.696 1.00 47.41 ? 46 ILE B CA 1 ATOM 3480 C C . ILE B 1 18 ? 176.057 -96.340 96.769 1.00 51.55 ? 46 ILE B C 1 ATOM 3481 O O . ILE B 1 18 ? 176.042 -97.039 95.750 1.00 57.60 ? 46 ILE B O 1 ATOM 3482 C CB . ILE B 1 18 ? 175.505 -94.117 95.700 1.00 43.79 ? 46 ILE B CB 1 ATOM 3483 C CG1 . ILE B 1 18 ? 175.784 -92.612 95.817 1.00 43.20 ? 46 ILE B CG1 1 ATOM 3484 C CG2 . ILE B 1 18 ? 174.048 -94.433 95.954 1.00 43.12 ? 46 ILE B CG2 1 ATOM 3485 C CD1 . ILE B 1 18 ? 175.346 -91.821 94.626 1.00 41.24 ? 46 ILE B CD1 1 ATOM 3486 N N . PHE B 1 19 ? 175.766 -96.822 97.972 1.00 48.53 ? 47 PHE B N 1 ATOM 3487 C CA . PHE B 1 19 ? 175.635 -98.249 98.243 1.00 51.58 ? 47 PHE B CA 1 ATOM 3488 C C . PHE B 1 19 ? 174.217 -98.540 98.698 1.00 49.34 ? 47 PHE B C 1 ATOM 3489 O O . PHE B 1 19 ? 173.737 -97.924 99.655 1.00 54.14 ? 47 PHE B O 1 ATOM 3490 C CB . PHE B 1 19 ? 176.640 -98.692 99.315 1.00 64.72 ? 47 PHE B CB 1 ATOM 3491 C CG . PHE B 1 19 ? 176.556 -100.143 99.675 1.00 78.68 ? 47 PHE B CG 1 ATOM 3492 C CD1 . PHE B 1 19 ? 177.211 -101.096 98.915 1.00 88.31 ? 47 PHE B CD1 1 ATOM 3493 C CD2 . PHE B 1 19 ? 175.832 -100.556 100.781 1.00 89.35 ? 47 PHE B CD2 1 ATOM 3494 C CE1 . PHE B 1 19 ? 177.137 -102.438 99.243 1.00 99.58 ? 47 PHE B CE1 1 ATOM 3495 C CE2 . PHE B 1 19 ? 175.755 -101.893 101.116 1.00 99.10 ? 47 PHE B CE2 1 ATOM 3496 C CZ . PHE B 1 19 ? 176.409 -102.836 100.346 1.00 105.16 ? 47 PHE B CZ 1 ATOM 3497 N N . SER B 1 20 ? 173.555 -99.476 98.025 1.00 58.88 ? 48 SER B N 1 ATOM 3498 C CA . SER B 1 20 ? 172.221 -99.910 98.407 1.00 63.01 ? 48 SER B CA 1 ATOM 3499 C C . SER B 1 20 ? 172.301 -101.174 99.250 1.00 82.94 ? 48 SER B C 1 ATOM 3500 O O . SER B 1 20 ? 172.931 -102.156 98.845 1.00 87.94 ? 48 SER B O 1 ATOM 3501 C CB . SER B 1 20 ? 171.350 -100.182 97.187 1.00 50.49 ? 48 SER B CB 1 ATOM 3502 O OG . SER B 1 20 ? 170.220 -100.961 97.561 1.00 45.65 ? 48 SER B OG 1 ATOM 3503 N N . HIS B 1 21 ? 171.642 -101.143 100.411 1.00 66.24 ? 49 HIS B N 1 ATOM 3504 C CA . HIS B 1 21 ? 171.541 -102.322 101.261 1.00 75.81 ? 49 HIS B CA 1 ATOM 3505 C C . HIS B 1 21 ? 170.819 -103.452 100.541 1.00 66.03 ? 49 HIS B C 1 ATOM 3506 O O . HIS B 1 21 ? 171.314 -104.585 100.481 1.00 70.83 ? 49 HIS B O 1 ATOM 3507 C CB . HIS B 1 21 ? 170.800 -101.975 102.555 1.00 82.35 ? 49 HIS B CB 1 ATOM 3508 C CG . HIS B 1 21 ? 171.656 -101.339 103.604 1.00 97.55 ? 49 HIS B CG 1 ATOM 3509 N ND1 . HIS B 1 21 ? 171.139 -100.515 104.581 1.00 99.85 ? 49 HIS B ND1 1 ATOM 3510 C CD2 . HIS B 1 21 ? 172.987 -101.412 103.837 1.00 110.24 ? 49 HIS B CD2 1 ATOM 3511 C CE1 . HIS B 1 21 ? 172.117 -100.099 105.365 1.00 106.59 ? 49 HIS B CE1 1 ATOM 3512 N NE2 . HIS B 1 21 ? 173.248 -100.628 104.936 1.00 114.85 ? 49 HIS B NE2 1 ATOM 3513 N N . GLY B 1 22 ? 169.632 -103.159 100.003 1.00 72.28 ? 50 GLY B N 1 ATOM 3514 C CA . GLY B 1 22 ? 168.788 -104.206 99.455 1.00 67.89 ? 50 GLY B CA 1 ATOM 3515 C C . GLY B 1 22 ? 169.335 -104.834 98.191 1.00 69.82 ? 50 GLY B C 1 ATOM 3516 O O . GLY B 1 22 ? 169.125 -106.024 97.947 1.00 78.68 ? 50 GLY B O 1 ATOM 3517 N N . LEU B 1 23 ? 170.028 -104.053 97.368 1.00 79.66 ? 51 LEU B N 1 ATOM 3518 C CA . LEU B 1 23 ? 170.607 -104.542 96.126 1.00 70.45 ? 51 LEU B CA 1 ATOM 3519 C C . LEU B 1 23 ? 172.019 -105.076 96.294 1.00 76.52 ? 51 LEU B C 1 ATOM 3520 O O . LEU B 1 23 ? 172.542 -105.693 95.361 1.00 76.64 ? 51 LEU B O 1 ATOM 3521 C CB . LEU B 1 23 ? 170.612 -103.420 95.088 1.00 57.01 ? 51 LEU B CB 1 ATOM 3522 C CG . LEU B 1 23 ? 169.227 -102.849 94.839 1.00 47.27 ? 51 LEU B CG 1 ATOM 3523 C CD1 . LEU B 1 23 ? 169.291 -101.569 93.984 1.00 40.36 ? 51 LEU B CD1 1 ATOM 3524 C CD2 . LEU B 1 23 ? 168.369 -103.918 94.176 1.00 42.78 ? 51 LEU B CD2 1 ATOM 3525 N N . GLN B 1 24 ? 172.639 -104.842 97.450 1.00 59.21 ? 52 GLN B N 1 ATOM 3526 C CA . GLN B 1 24 ? 174.027 -105.212 97.742 1.00 75.99 ? 52 GLN B CA 1 ATOM 3527 C C . GLN B 1 24 ? 174.977 -104.791 96.614 1.00 73.07 ? 52 GLN B C 1 ATOM 3528 O O . GLN B 1 24 ? 175.557 -105.615 95.908 1.00 77.95 ? 52 GLN B O 1 ATOM 3529 C CB . GLN B 1 24 ? 174.125 -106.716 98.024 1.00 88.87 ? 52 GLN B CB 1 ATOM 3530 C CG . GLN B 1 24 ? 173.739 -107.099 99.446 1.00 93.65 ? 52 GLN B CG 1 ATOM 3531 C CD . GLN B 1 24 ? 174.696 -106.527 100.482 1.00 107.97 ? 52 GLN B CD 1 ATOM 3532 O OE1 . GLN B 1 24 ? 175.914 -106.648 100.353 1.00 118.18 ? 52 GLN B OE1 1 ATOM 3533 N NE2 . GLN B 1 24 ? 174.145 -105.895 101.512 1.00 108.04 ? 52 GLN B NE2 1 ATOM 3534 N N . GLY B 1 25 ? 175.130 -103.479 96.463 1.00 69.01 ? 53 GLY B N 1 ATOM 3535 C CA . GLY B 1 25 ? 175.987 -102.962 95.406 1.00 56.91 ? 53 GLY B CA 1 ATOM 3536 C C . GLY B 1 25 ? 176.048 -101.444 95.413 1.00 53.58 ? 53 GLY B C 1 ATOM 3537 O O . GLY B 1 25 ? 175.326 -100.764 96.154 1.00 53.26 ? 53 GLY B O 1 ATOM 3538 N N . CYS B 1 26 ? 176.931 -100.924 94.561 1.00 55.51 ? 54 CYS B N 1 ATOM 3539 C CA . CYS B 1 26 ? 177.212 -99.499 94.474 1.00 48.48 ? 54 CYS B CA 1 ATOM 3540 C C . CYS B 1 26 ? 176.743 -98.967 93.131 1.00 45.31 ? 54 CYS B C 1 ATOM 3541 O O . CYS B 1 26 ? 176.791 -99.682 92.119 1.00 47.56 ? 54 CYS B O 1 ATOM 3542 C CB . CYS B 1 26 ? 178.712 -99.200 94.666 1.00 54.61 ? 54 CYS B CB 1 ATOM 3543 S SG . CYS B 1 26 ? 179.349 -99.581 96.313 1.00 86.23 ? 54 CYS B SG 1 ATOM 3544 N N . LEU B 1 27 ? 176.257 -97.721 93.137 1.00 44.02 ? 55 LEU B N 1 ATOM 3545 C CA . LEU B 1 27 ? 175.768 -97.094 91.919 1.00 42.02 ? 55 LEU B CA 1 ATOM 3546 C C . LEU B 1 27 ? 176.948 -96.724 91.040 1.00 42.22 ? 55 LEU B C 1 ATOM 3547 O O . LEU B 1 27 ? 177.927 -96.132 91.513 1.00 43.24 ? 55 LEU B O 1 ATOM 3548 C CB . LEU B 1 27 ? 174.932 -95.851 92.247 1.00 40.88 ? 55 LEU B CB 1 ATOM 3549 C CG . LEU B 1 27 ? 174.109 -95.250 91.098 1.00 38.90 ? 55 LEU B CG 1 ATOM 3550 C CD1 . LEU B 1 27 ? 173.060 -96.253 90.594 1.00 38.04 ? 55 LEU B CD1 1 ATOM 3551 C CD2 . LEU B 1 27 ? 173.430 -93.942 91.499 1.00 38.12 ? 55 LEU B CD2 1 ATOM 3552 N N . GLU B 1 28 ? 176.844 -97.047 89.756 1.00 41.29 ? 56 GLU B N 1 ATOM 3553 C CA . GLU B 1 28 ? 177.951 -96.917 88.828 1.00 42.69 ? 56 GLU B CA 1 ATOM 3554 C C . GLU B 1 28 ? 177.449 -96.296 87.533 1.00 40.07 ? 56 GLU B C 1 ATOM 3555 O O . GLU B 1 28 ? 176.316 -96.537 87.108 1.00 38.79 ? 56 GLU B O 1 ATOM 3556 C CB . GLU B 1 28 ? 178.588 -98.293 88.588 1.00 45.70 ? 56 GLU B CB 1 ATOM 3557 C CG . GLU B 1 28 ? 179.694 -98.389 87.557 1.00 47.63 ? 56 GLU B CG 1 ATOM 3558 C CD . GLU B 1 28 ? 179.829 -99.814 87.010 1.00 62.33 ? 56 GLU B CD 1 ATOM 3559 O OE1 . GLU B 1 28 ? 178.798 -100.520 86.911 1.00 62.54 ? 56 GLU B OE1 1 ATOM 3560 O OE2 . GLU B 1 28 ? 180.958 -100.230 86.679 1.00 79.69 ? 56 GLU B OE2 1 ATOM 3561 N N . ALA B 1 29 ? 178.292 -95.474 86.917 1.00 44.19 ? 57 ALA B N 1 ATOM 3562 C CA . ALA B 1 29 ? 177.984 -94.872 85.622 1.00 41.78 ? 57 ALA B CA 1 ATOM 3563 C C . ALA B 1 29 ? 179.061 -95.328 84.645 1.00 44.17 ? 57 ALA B C 1 ATOM 3564 O O . ALA B 1 29 ? 180.230 -94.970 84.793 1.00 47.22 ? 57 ALA B O 1 ATOM 3565 C CB . ALA B 1 29 ? 177.917 -93.345 85.723 1.00 40.14 ? 57 ALA B CB 1 ATOM 3566 N N . GLN B 1 30 ? 178.674 -96.154 83.683 1.00 42.74 ? 58 GLN B N 1 ATOM 3567 C CA . GLN B 1 30 ? 179.622 -96.861 82.833 1.00 57.84 ? 58 GLN B CA 1 ATOM 3568 C C . GLN B 1 30 ? 178.947 -97.213 81.514 1.00 50.71 ? 58 GLN B C 1 ATOM 3569 O O . GLN B 1 30 ? 177.773 -97.593 81.503 1.00 58.48 ? 58 GLN B O 1 ATOM 3570 C CB . GLN B 1 30 ? 180.118 -98.137 83.530 1.00 81.53 ? 58 GLN B CB 1 ATOM 3571 C CG . GLN B 1 30 ? 181.288 -98.819 82.857 1.00 102.48 ? 58 GLN B CG 1 ATOM 3572 C CD . GLN B 1 30 ? 182.584 -98.065 83.058 1.00 117.36 ? 58 GLN B CD 1 ATOM 3573 O OE1 . GLN B 1 30 ? 182.775 -96.977 82.511 1.00 118.76 ? 58 GLN B OE1 1 ATOM 3574 N NE2 . GLN B 1 30 ? 183.482 -98.635 83.852 1.00 127.62 ? 58 GLN B NE2 1 ATOM 3575 N N . GLY B 1 31 ? 179.705 -97.118 80.421 1.00 70.50 ? 59 GLY B N 1 ATOM 3576 C CA . GLY B 1 31 ? 179.278 -97.579 79.110 1.00 61.23 ? 59 GLY B CA 1 ATOM 3577 C C . GLY B 1 31 ? 177.914 -97.106 78.661 1.00 59.08 ? 59 GLY B C 1 ATOM 3578 O O . GLY B 1 31 ? 177.171 -97.859 78.016 1.00 58.70 ? 59 GLY B O 1 ATOM 3579 N N . GLY B 1 32 ? 177.561 -95.873 79.016 1.00 61.48 ? 60 GLY B N 1 ATOM 3580 C CA . GLY B 1 32 ? 176.279 -95.325 78.643 1.00 48.24 ? 60 GLY B CA 1 ATOM 3581 C C . GLY B 1 32 ? 175.122 -95.809 79.480 1.00 47.31 ? 60 GLY B C 1 ATOM 3582 O O . GLY B 1 32 ? 173.984 -95.798 79.000 1.00 50.99 ? 60 GLY B O 1 ATOM 3583 N N . GLN B 1 33 ? 175.372 -96.235 80.721 1.00 39.67 ? 61 GLN B N 1 ATOM 3584 C CA . GLN B 1 33 ? 174.342 -96.774 81.598 1.00 37.95 ? 61 GLN B CA 1 ATOM 3585 C C . GLN B 1 33 ? 174.578 -96.344 83.044 1.00 40.17 ? 61 GLN B C 1 ATOM 3586 O O . GLN B 1 33 ? 175.668 -95.906 83.426 1.00 51.77 ? 61 GLN B O 1 ATOM 3587 C CB . GLN B 1 33 ? 174.308 -98.311 81.558 1.00 49.34 ? 61 GLN B CB 1 ATOM 3588 C CG . GLN B 1 33 ? 174.695 -98.904 80.231 1.00 68.23 ? 61 GLN B CG 1 ATOM 3589 C CD . GLN B 1 33 ? 173.821 -100.062 79.870 1.00 75.70 ? 61 GLN B CD 1 ATOM 3590 O OE1 . GLN B 1 33 ? 173.636 -100.986 80.665 1.00 82.98 ? 61 GLN B OE1 1 ATOM 3591 N NE2 . GLN B 1 33 ? 173.256 -100.019 78.671 1.00 77.79 ? 61 GLN B NE2 1 ATOM 3592 N N . VAL B 1 34 ? 173.530 -96.523 83.849 1.00 37.46 ? 62 VAL B N 1 ATOM 3593 C CA . VAL B 1 34 ? 173.541 -96.358 85.296 1.00 38.35 ? 62 VAL B CA 1 ATOM 3594 C C . VAL B 1 34 ? 172.987 -97.649 85.885 1.00 42.59 ? 62 VAL B C 1 ATOM 3595 O O . VAL B 1 34 ? 171.839 -98.011 85.609 1.00 44.26 ? 62 VAL B O 1 ATOM 3596 C CB . VAL B 1 34 ? 172.691 -95.149 85.727 1.00 35.78 ? 62 VAL B CB 1 ATOM 3597 C CG1 . VAL B 1 34 ? 172.641 -94.992 87.249 1.00 36.79 ? 62 VAL B CG1 1 ATOM 3598 C CG2 . VAL B 1 34 ? 173.216 -93.879 85.065 1.00 35.41 ? 62 VAL B CG2 1 ATOM 3599 N N . ARG B 1 35 ? 173.805 -98.371 86.650 1.00 37.67 ? 63 ARG B N 1 ATOM 3600 C CA . ARG B 1 35 ? 173.346 -99.613 87.254 1.00 38.44 ? 63 ARG B CA 1 ATOM 3601 C C . ARG B 1 35 ? 174.016 -99.776 88.608 1.00 41.61 ? 63 ARG B C 1 ATOM 3602 O O . ARG B 1 35 ? 174.829 -98.948 89.028 1.00 51.54 ? 63 ARG B O 1 ATOM 3603 C CB . ARG B 1 35 ? 173.634 -100.825 86.351 1.00 39.53 ? 63 ARG B CB 1 ATOM 3604 C CG . ARG B 1 35 ? 175.111 -101.090 86.140 1.00 55.60 ? 63 ARG B CG 1 ATOM 3605 C CD . ARG B 1 35 ? 175.391 -101.612 84.739 1.00 60.89 ? 63 ARG B CD 1 ATOM 3606 N NE . ARG B 1 35 ? 176.820 -101.559 84.458 1.00 80.57 ? 63 ARG B NE 1 ATOM 3607 C CZ . ARG B 1 35 ? 177.346 -101.503 83.241 1.00 89.57 ? 63 ARG B CZ 1 ATOM 3608 N NH1 . ARG B 1 35 ? 176.555 -101.493 82.174 1.00 85.38 ? 63 ARG B NH1 1 ATOM 3609 N NH2 . ARG B 1 35 ? 178.665 -101.448 83.094 1.00 98.94 ? 63 ARG B NH2 1 ATOM 3610 N N . VAL B 1 36 ? 173.665 -100.862 89.287 1.00 39.45 ? 64 VAL B N 1 ATOM 3611 C CA . VAL B 1 36 ? 174.306 -101.263 90.531 1.00 42.54 ? 64 VAL B CA 1 ATOM 3612 C C . VAL B 1 36 ? 175.285 -102.388 90.216 1.00 53.08 ? 64 VAL B C 1 ATOM 3613 O O . VAL B 1 36 ? 174.890 -103.431 89.682 1.00 53.08 ? 64 VAL B O 1 ATOM 3614 C CB . VAL B 1 36 ? 173.267 -101.700 91.572 1.00 41.56 ? 64 VAL B CB 1 ATOM 3615 C CG1 . VAL B 1 36 ? 173.928 -101.999 92.868 1.00 46.35 ? 64 VAL B CG1 1 ATOM 3616 C CG2 . VAL B 1 36 ? 172.219 -100.620 91.752 1.00 40.17 ? 64 VAL B CG2 1 ATOM 3617 N N . THR B 1 37 ? 176.579 -102.163 90.516 1.00 44.54 ? 65 THR B N 1 ATOM 3618 C CA . THR B 1 37 ? 177.608 -103.175 90.331 1.00 46.30 ? 65 THR B CA 1 ATOM 3619 C C . THR B 1 37 ? 177.913 -103.815 91.668 1.00 52.36 ? 65 THR B C 1 ATOM 3620 O O . THR B 1 37 ? 178.147 -103.098 92.652 1.00 61.38 ? 65 THR B O 1 ATOM 3621 C CB . THR B 1 37 ? 178.891 -102.590 89.727 1.00 56.04 ? 65 THR B CB 1 ATOM 3622 O OG1 . THR B 1 37 ? 179.912 -103.600 89.696 1.00 70.28 ? 65 THR B OG1 1 ATOM 3623 C CG2 . THR B 1 37 ? 179.406 -101.366 90.518 1.00 50.36 ? 65 THR B CG2 1 ATOM 3624 N N . PRO B 1 38 ? 177.880 -105.148 91.755 1.00 50.85 ? 66 PRO B N 1 ATOM 3625 C CA . PRO B 1 38 ? 178.074 -105.799 93.062 1.00 58.28 ? 66 PRO B CA 1 ATOM 3626 C C . PRO B 1 38 ? 179.471 -105.642 93.607 1.00 65.51 ? 66 PRO B C 1 ATOM 3627 O O . PRO B 1 38 ? 179.639 -105.682 94.833 1.00 80.60 ? 66 PRO B O 1 ATOM 3628 C CB . PRO B 1 38 ? 177.732 -107.276 92.795 1.00 58.69 ? 66 PRO B CB 1 ATOM 3629 C CG . PRO B 1 38 ? 177.770 -107.445 91.304 1.00 56.25 ? 66 PRO B CG 1 ATOM 3630 C CD . PRO B 1 38 ? 177.402 -106.078 90.722 1.00 48.34 ? 66 PRO B CD 1 ATOM 3631 N N . ALA B 1 39 ? 180.473 -105.418 92.759 1.00 56.83 ? 67 ALA B N 1 ATOM 3632 C CA . ALA B 1 39 ? 181.834 -105.227 93.248 1.00 61.53 ? 67 ALA B CA 1 ATOM 3633 C C . ALA B 1 39 ? 182.056 -103.739 93.460 1.00 58.74 ? 67 ALA B C 1 ATOM 3634 O O . ALA B 1 39 ? 182.365 -102.998 92.523 1.00 57.23 ? 67 ALA B O 1 ATOM 3635 C CB . ALA B 1 39 ? 182.851 -105.788 92.264 1.00 65.74 ? 67 ALA B CB 1 ATOM 3636 N N . CYS B 1 40 ? 182.020 -103.329 94.717 1.00 65.62 ? 68 CYS B N 1 ATOM 3637 C CA . CYS B 1 40 ? 182.298 -101.954 95.072 1.00 69.37 ? 68 CYS B CA 1 ATOM 3638 C C . CYS B 1 40 ? 183.803 -101.767 95.164 1.00 82.33 ? 68 CYS B C 1 ATOM 3639 O O . CYS B 1 40 ? 184.488 -102.535 95.844 1.00 96.58 ? 68 CYS B O 1 ATOM 3640 C CB . CYS B 1 40 ? 181.620 -101.615 96.394 1.00 69.07 ? 68 CYS B CB 1 ATOM 3641 S SG . CYS B 1 40 ? 179.805 -101.598 96.306 1.00 75.01 ? 68 CYS B SG 1 ATOM 3642 N N . ASN B 1 41 ? 184.320 -100.772 94.445 1.00 74.98 ? 69 ASN B N 1 ATOM 3643 C CA . ASN B 1 41 ? 185.744 -100.453 94.436 1.00 84.10 ? 69 ASN B CA 1 ATOM 3644 C C . ASN B 1 41 ? 185.861 -98.942 94.587 1.00 80.14 ? 69 ASN B C 1 ATOM 3645 O O . ASN B 1 41 ? 185.447 -98.191 93.695 1.00 62.23 ? 69 ASN B O 1 ATOM 3646 C CB . ASN B 1 41 ? 186.397 -100.955 93.144 1.00 90.48 ? 69 ASN B CB 1 ATOM 3647 C CG . ASN B 1 41 ? 187.923 -100.861 93.152 1.00 110.27 ? 69 ASN B CG 1 ATOM 3648 O OD1 . ASN B 1 41 ? 188.524 -100.261 94.043 1.00 118.64 ? 69 ASN B OD1 1 ATOM 3649 N ND2 . ASN B 1 41 ? 188.549 -101.468 92.129 1.00 119.97 ? 69 ASN B ND2 1 ATOM 3650 N N . THR B 1 42 ? 186.430 -98.495 95.710 1.00 83.28 ? 70 THR B N 1 ATOM 3651 C CA . THR B 1 42 ? 186.455 -97.067 96.002 1.00 80.78 ? 70 THR B CA 1 ATOM 3652 C C . THR B 1 42 ? 187.407 -96.305 95.097 1.00 77.81 ? 70 THR B C 1 ATOM 3653 O O . THR B 1 42 ? 187.324 -95.077 95.032 1.00 63.95 ? 70 THR B O 1 ATOM 3654 C CB . THR B 1 42 ? 186.841 -96.815 97.457 1.00 91.15 ? 70 THR B CB 1 ATOM 3655 O OG1 . THR B 1 42 ? 188.234 -97.102 97.639 1.00 102.31 ? 70 THR B OG1 1 ATOM 3656 C CG2 . THR B 1 42 ? 186.011 -97.687 98.382 1.00 97.85 ? 70 THR B CG2 1 ATOM 3657 N N . SER B 1 43 ? 188.304 -96.998 94.404 1.00 86.56 ? 71 SER B N 1 ATOM 3658 C CA . SER B 1 43 ? 189.254 -96.355 93.509 1.00 88.35 ? 71 SER B CA 1 ATOM 3659 C C . SER B 1 43 ? 188.742 -96.230 92.078 1.00 71.89 ? 71 SER B C 1 ATOM 3660 O O . SER B 1 43 ? 189.464 -95.708 91.221 1.00 71.84 ? 71 SER B O 1 ATOM 3661 C CB . SER B 1 43 ? 190.581 -97.118 93.524 1.00 110.78 ? 71 SER B CB 1 ATOM 3662 O OG . SER B 1 43 ? 190.366 -98.519 93.571 1.00 118.43 ? 71 SER B OG 1 ATOM 3663 N N . LEU B 1 44 ? 187.525 -96.680 91.796 1.00 85.20 ? 72 LEU B N 1 ATOM 3664 C CA . LEU B 1 44 ? 187.068 -96.559 90.419 1.00 76.48 ? 72 LEU B CA 1 ATOM 3665 C C . LEU B 1 44 ? 186.215 -95.311 90.252 1.00 60.24 ? 72 LEU B C 1 ATOM 3666 O O . LEU B 1 44 ? 185.240 -95.132 90.998 1.00 56.43 ? 72 LEU B O 1 ATOM 3667 C CB . LEU B 1 44 ? 186.273 -97.794 90.008 1.00 73.50 ? 72 LEU B CB 1 ATOM 3668 C CG . LEU B 1 44 ? 187.102 -98.882 89.325 1.00 80.07 ? 72 LEU B CG 1 ATOM 3669 C CD1 . LEU B 1 44 ? 186.273 -100.129 89.055 1.00 73.31 ? 72 LEU B CD1 1 ATOM 3670 C CD2 . LEU B 1 44 ? 187.701 -98.337 88.036 1.00 76.83 ? 72 LEU B CD2 1 ATOM 3671 N N . PRO B 1 45 ? 186.533 -94.440 89.293 1.00 70.04 ? 73 PRO B N 1 ATOM 3672 C CA . PRO B 1 45 ? 185.753 -93.196 89.152 1.00 57.25 ? 73 PRO B CA 1 ATOM 3673 C C . PRO B 1 45 ? 184.290 -93.418 88.772 1.00 47.76 ? 73 PRO B C 1 ATOM 3674 O O . PRO B 1 45 ? 183.439 -92.583 89.105 1.00 46.82 ? 73 PRO B O 1 ATOM 3675 C CB . PRO B 1 45 ? 186.517 -92.424 88.065 1.00 55.51 ? 73 PRO B CB 1 ATOM 3676 C CG . PRO B 1 45 ? 187.894 -93.067 88.022 1.00 67.38 ? 73 PRO B CG 1 ATOM 3677 C CD . PRO B 1 45 ? 187.682 -94.497 88.376 1.00 68.12 ? 73 PRO B CD 1 ATOM 3678 N N . ALA B 1 46 ? 183.956 -94.522 88.114 1.00 57.35 ? 74 ALA B N 1 ATOM 3679 C CA . ALA B 1 46 ? 182.576 -94.727 87.699 1.00 44.90 ? 74 ALA B CA 1 ATOM 3680 C C . ALA B 1 46 ? 181.621 -94.880 88.880 1.00 44.54 ? 74 ALA B C 1 ATOM 3681 O O . ALA B 1 46 ? 180.405 -94.711 88.704 1.00 42.98 ? 74 ALA B O 1 ATOM 3682 C CB . ALA B 1 46 ? 182.493 -95.947 86.782 1.00 45.56 ? 74 ALA B CB 1 ATOM 3683 N N . GLN B 1 47 ? 182.138 -95.216 90.061 1.00 46.11 ? 75 GLN B N 1 ATOM 3684 C CA . GLN B 1 47 ? 181.369 -95.325 91.296 1.00 46.20 ? 75 GLN B CA 1 ATOM 3685 C C . GLN B 1 47 ? 181.493 -94.091 92.183 1.00 46.09 ? 75 GLN B C 1 ATOM 3686 O O . GLN B 1 47 ? 180.916 -94.064 93.275 1.00 46.37 ? 75 GLN B O 1 ATOM 3687 C CB . GLN B 1 47 ? 181.813 -96.577 92.077 1.00 50.13 ? 75 GLN B CB 1 ATOM 3688 C CG . GLN B 1 47 ? 182.050 -97.791 91.164 1.00 53.34 ? 75 GLN B CG 1 ATOM 3689 C CD . GLN B 1 47 ? 182.228 -99.124 91.901 1.00 61.97 ? 75 GLN B CD 1 ATOM 3690 O OE1 . GLN B 1 47 ? 182.213 -99.190 93.131 1.00 69.82 ? 75 GLN B OE1 1 ATOM 3691 N NE2 . GLN B 1 47 ? 182.385 -100.195 91.131 1.00 53.59 ? 75 GLN B NE2 1 ATOM 3692 N N . ARG B 1 48 ? 182.229 -93.075 91.749 1.00 45.77 ? 76 ARG B N 1 ATOM 3693 C CA . ARG B 1 48 ? 182.564 -91.948 92.611 1.00 45.87 ? 76 ARG B CA 1 ATOM 3694 C C . ARG B 1 48 ? 181.614 -90.782 92.340 1.00 43.86 ? 76 ARG B C 1 ATOM 3695 O O . ARG B 1 48 ? 181.524 -90.291 91.207 1.00 42.68 ? 76 ARG B O 1 ATOM 3696 C CB . ARG B 1 48 ? 184.030 -91.555 92.417 1.00 46.93 ? 76 ARG B CB 1 ATOM 3697 C CG . ARG B 1 48 ? 184.986 -92.624 92.943 1.00 52.24 ? 76 ARG B CG 1 ATOM 3698 C CD . ARG B 1 48 ? 186.456 -92.335 92.660 1.00 64.76 ? 76 ARG B CD 1 ATOM 3699 N NE . ARG B 1 48 ? 186.981 -91.161 93.362 1.00 66.25 ? 76 ARG B NE 1 ATOM 3700 C CZ . ARG B 1 48 ? 187.227 -91.111 94.669 1.00 68.49 ? 76 ARG B CZ 1 ATOM 3701 N NH1 . ARG B 1 48 ? 186.970 -92.160 95.436 1.00 71.54 ? 76 ARG B NH1 1 ATOM 3702 N NH2 . ARG B 1 48 ? 187.720 -90.005 95.214 1.00 62.19 ? 76 ARG B NH2 1 ATOM 3703 N N . TRP B 1 49 ? 180.899 -90.351 93.376 1.00 43.66 ? 77 TRP B N 1 ATOM 3704 C CA . TRP B 1 49 ? 179.889 -89.315 93.227 1.00 41.97 ? 77 TRP B CA 1 ATOM 3705 C C . TRP B 1 49 ? 180.210 -88.102 94.098 1.00 42.04 ? 77 TRP B C 1 ATOM 3706 O O . TRP B 1 49 ? 180.975 -88.180 95.064 1.00 44.00 ? 77 TRP B O 1 ATOM 3707 C CB . TRP B 1 49 ? 178.496 -89.865 93.561 1.00 41.49 ? 77 TRP B CB 1 ATOM 3708 C CG . TRP B 1 49 ? 178.122 -91.018 92.678 1.00 41.22 ? 77 TRP B CG 1 ATOM 3709 C CD1 . TRP B 1 49 ? 178.472 -92.329 92.851 1.00 42.47 ? 77 TRP B CD1 1 ATOM 3710 C CD2 . TRP B 1 49 ? 177.332 -90.971 91.476 1.00 39.69 ? 77 TRP B CD2 1 ATOM 3711 N NE1 . TRP B 1 49 ? 177.946 -93.094 91.848 1.00 41.68 ? 77 TRP B NE1 1 ATOM 3712 C CE2 . TRP B 1 49 ? 177.242 -92.294 90.988 1.00 39.99 ? 77 TRP B CE2 1 ATOM 3713 C CE3 . TRP B 1 49 ? 176.688 -89.949 90.775 1.00 38.23 ? 77 TRP B CE3 1 ATOM 3714 C CZ2 . TRP B 1 49 ? 176.538 -92.622 89.820 1.00 38.80 ? 77 TRP B CZ2 1 ATOM 3715 C CZ3 . TRP B 1 49 ? 175.978 -90.277 89.619 1.00 37.19 ? 77 TRP B CZ3 1 ATOM 3716 C CH2 . TRP B 1 49 ? 175.909 -91.612 89.156 1.00 37.45 ? 77 TRP B CH2 1 ATOM 3717 N N . LYS B 1 50 ? 179.626 -86.967 93.730 1.00 40.58 ? 78 LYS B N 1 ATOM 3718 C CA . LYS B 1 50 ? 179.754 -85.758 94.530 1.00 40.45 ? 78 LYS B CA 1 ATOM 3719 C C . LYS B 1 50 ? 178.505 -84.905 94.363 1.00 39.04 ? 78 LYS B C 1 ATOM 3720 O O . LYS B 1 50 ? 177.993 -84.772 93.251 1.00 37.93 ? 78 LYS B O 1 ATOM 3721 C CB . LYS B 1 50 ? 180.992 -84.945 94.127 1.00 41.00 ? 78 LYS B CB 1 ATOM 3722 C CG . LYS B 1 50 ? 181.105 -83.665 94.905 1.00 41.29 ? 78 LYS B CG 1 ATOM 3723 C CD . LYS B 1 50 ? 182.395 -82.914 94.658 1.00 42.37 ? 78 LYS B CD 1 ATOM 3724 C CE . LYS B 1 50 ? 182.475 -81.704 95.598 1.00 42.95 ? 78 LYS B CE 1 ATOM 3725 N NZ . LYS B 1 50 ? 183.465 -80.696 95.133 1.00 43.13 ? 78 LYS B NZ 1 ATOM 3726 N N . TRP B 1 51 ? 178.040 -84.303 95.457 1.00 39.23 ? 79 TRP B N 1 ATOM 3727 C CA . TRP B 1 51 ? 176.987 -83.306 95.359 1.00 38.09 ? 79 TRP B CA 1 ATOM 3728 C C . TRP B 1 51 ? 177.583 -81.981 94.901 1.00 37.28 ? 79 TRP B C 1 ATOM 3729 O O . TRP B 1 51 ? 178.559 -81.484 95.483 1.00 38.09 ? 79 TRP B O 1 ATOM 3730 C CB . TRP B 1 51 ? 176.270 -83.119 96.692 1.00 38.74 ? 79 TRP B CB 1 ATOM 3731 C CG . TRP B 1 51 ? 175.326 -84.233 97.062 1.00 39.31 ? 79 TRP B CG 1 ATOM 3732 C CD1 . TRP B 1 51 ? 175.471 -85.113 98.096 1.00 43.10 ? 79 TRP B CD1 1 ATOM 3733 C CD2 . TRP B 1 51 ? 174.087 -84.564 96.425 1.00 38.45 ? 79 TRP B CD2 1 ATOM 3734 N NE1 . TRP B 1 51 ? 174.402 -85.970 98.142 1.00 42.88 ? 79 TRP B NE1 1 ATOM 3735 C CE2 . TRP B 1 51 ? 173.537 -85.655 97.127 1.00 39.42 ? 79 TRP B CE2 1 ATOM 3736 C CE3 . TRP B 1 51 ? 173.392 -84.050 95.328 1.00 37.08 ? 79 TRP B CE3 1 ATOM 3737 C CZ2 . TRP B 1 51 ? 172.327 -86.240 96.767 1.00 38.90 ? 79 TRP B CZ2 1 ATOM 3738 C CZ3 . TRP B 1 51 ? 172.191 -84.627 94.972 1.00 36.65 ? 79 TRP B CZ3 1 ATOM 3739 C CH2 . TRP B 1 51 ? 171.671 -85.712 95.692 1.00 37.48 ? 79 TRP B CH2 1 ATOM 3740 N N . VAL B 1 52 ? 177.002 -81.418 93.847 1.00 36.11 ? 80 VAL B N 1 ATOM 3741 C CA . VAL B 1 52 ? 177.453 -80.140 93.317 1.00 35.36 ? 80 VAL B CA 1 ATOM 3742 C C . VAL B 1 52 ? 176.247 -79.212 93.250 1.00 34.56 ? 80 VAL B C 1 ATOM 3743 O O . VAL B 1 52 ? 175.194 -79.501 93.826 1.00 34.72 ? 80 VAL B O 1 ATOM 3744 C CB . VAL B 1 52 ? 178.138 -80.318 91.956 1.00 35.06 ? 80 VAL B CB 1 ATOM 3745 C CG1 . VAL B 1 52 ? 179.366 -81.192 92.120 1.00 36.08 ? 80 VAL B CG1 1 ATOM 3746 C CG2 . VAL B 1 52 ? 177.158 -80.949 90.941 1.00 34.56 ? 80 VAL B CG2 1 ATOM 3747 N N . SER B 1 53 ? 176.393 -78.070 92.607 1.00 35.48 ? 81 SER B N 1 ATOM 3748 C CA . SER B 1 53 ? 175.382 -77.040 92.782 1.00 34.75 ? 81 SER B CA 1 ATOM 3749 C C . SER B 1 53 ? 174.104 -77.337 92.001 1.00 33.27 ? 81 SER B C 1 ATOM 3750 O O . SER B 1 53 ? 174.083 -78.097 91.024 1.00 32.85 ? 81 SER B O 1 ATOM 3751 C CB . SER B 1 53 ? 175.921 -75.693 92.357 1.00 34.72 ? 81 SER B CB 1 ATOM 3752 O OG . SER B 1 53 ? 176.118 -75.717 90.976 1.00 33.92 ? 81 SER B OG 1 ATOM 3753 N N . ARG B 1 54 ? 173.032 -76.688 92.444 1.00 36.41 ? 82 ARG B N 1 ATOM 3754 C CA . ARG B 1 54 ? 171.716 -76.790 91.833 1.00 35.39 ? 82 ARG B CA 1 ATOM 3755 C C . ARG B 1 54 ? 171.199 -78.225 91.926 1.00 34.99 ? 82 ARG B C 1 ATOM 3756 O O . ARG B 1 54 ? 170.546 -78.747 91.016 1.00 33.90 ? 82 ARG B O 1 ATOM 3757 C CB . ARG B 1 54 ? 171.729 -76.249 90.401 1.00 34.56 ? 82 ARG B CB 1 ATOM 3758 C CG . ARG B 1 54 ? 172.282 -74.802 90.360 1.00 35.16 ? 82 ARG B CG 1 ATOM 3759 C CD . ARG B 1 54 ? 171.851 -74.000 89.122 1.00 34.84 ? 82 ARG B CD 1 ATOM 3760 N NE . ARG B 1 54 ? 172.549 -74.407 87.909 1.00 34.48 ? 82 ARG B NE 1 ATOM 3761 C CZ . ARG B 1 54 ? 173.675 -73.849 87.457 1.00 40.08 ? 82 ARG B CZ 1 ATOM 3762 N NH1 . ARG B 1 54 ? 174.255 -72.841 88.126 1.00 36.95 ? 82 ARG B NH1 1 ATOM 3763 N NH2 . ARG B 1 54 ? 174.222 -74.292 86.320 1.00 39.42 ? 82 ARG B NH2 1 ATOM 3764 N N . ASN B 1 55 ? 171.484 -78.853 93.067 1.00 33.62 ? 83 ASN B N 1 ATOM 3765 C CA . ASN B 1 55 ? 170.875 -80.111 93.446 1.00 34.06 ? 83 ASN B CA 1 ATOM 3766 C C . ASN B 1 55 ? 171.293 -81.235 92.507 1.00 33.83 ? 83 ASN B C 1 ATOM 3767 O O . ASN B 1 55 ? 170.527 -82.157 92.246 1.00 33.76 ? 83 ASN B O 1 ATOM 3768 C CB . ASN B 1 55 ? 169.348 -79.969 93.503 1.00 34.00 ? 83 ASN B CB 1 ATOM 3769 C CG . ASN B 1 55 ? 168.867 -79.411 94.846 1.00 34.75 ? 83 ASN B CG 1 ATOM 3770 O OD1 . ASN B 1 55 ? 169.499 -78.531 95.423 1.00 34.95 ? 83 ASN B OD1 1 ATOM 3771 N ND2 . ASN B 1 55 ? 167.772 -79.969 95.372 1.00 40.24 ? 83 ASN B ND2 1 ATOM 3772 N N . ARG B 1 56 ? 172.510 -81.145 91.982 1.00 34.21 ? 84 ARG B N 1 ATOM 3773 C CA . ARG B 1 56 ? 172.967 -82.049 90.947 1.00 33.60 ? 84 ARG B CA 1 ATOM 3774 C C . ARG B 1 56 ? 173.937 -83.041 91.561 1.00 35.05 ? 84 ARG B C 1 ATOM 3775 O O . ARG B 1 56 ? 174.612 -82.746 92.552 1.00 36.68 ? 84 ARG B O 1 ATOM 3776 C CB . ARG B 1 56 ? 173.599 -81.291 89.772 1.00 33.13 ? 84 ARG B CB 1 ATOM 3777 C CG . ARG B 1 56 ? 172.540 -80.763 88.818 1.00 32.49 ? 84 ARG B CG 1 ATOM 3778 C CD . ARG B 1 56 ? 173.092 -79.844 87.741 1.00 32.24 ? 84 ARG B CD 1 ATOM 3779 N NE . ARG B 1 56 ? 173.793 -78.706 88.334 1.00 32.59 ? 84 ARG B NE 1 ATOM 3780 C CZ . ARG B 1 56 ? 174.646 -77.909 87.689 1.00 33.05 ? 84 ARG B CZ 1 ATOM 3781 N NH1 . ARG B 1 56 ? 174.909 -78.092 86.402 1.00 32.89 ? 84 ARG B NH1 1 ATOM 3782 N NH2 . ARG B 1 56 ? 175.244 -76.909 88.346 1.00 33.83 ? 84 ARG B NH2 1 ATOM 3783 N N . LEU B 1 57 ? 173.928 -84.245 91.017 1.00 34.56 ? 85 LEU B N 1 ATOM 3784 C CA . LEU B 1 57 ? 174.759 -85.345 91.479 1.00 35.53 ? 85 LEU B CA 1 ATOM 3785 C C . LEU B 1 57 ? 175.732 -85.669 90.354 1.00 35.55 ? 85 LEU B C 1 ATOM 3786 O O . LEU B 1 57 ? 175.330 -86.191 89.300 1.00 35.06 ? 85 LEU B O 1 ATOM 3787 C CB . LEU B 1 57 ? 173.900 -86.554 91.852 1.00 35.80 ? 85 LEU B CB 1 ATOM 3788 C CG . LEU B 1 57 ? 174.574 -87.705 92.584 1.00 37.07 ? 85 LEU B CG 1 ATOM 3789 C CD1 . LEU B 1 57 ? 175.188 -87.244 93.885 1.00 38.14 ? 85 LEU B CD1 1 ATOM 3790 C CD2 . LEU B 1 57 ? 173.569 -88.846 92.836 1.00 37.18 ? 85 LEU B CD2 1 ATOM 3791 N N . PHE B 1 58 ? 177.004 -85.358 90.592 1.00 36.21 ? 86 PHE B N 1 ATOM 3792 C CA . PHE B 1 58 ? 178.056 -85.441 89.593 1.00 36.43 ? 86 PHE B CA 1 ATOM 3793 C C . PHE B 1 58 ? 178.807 -86.763 89.726 1.00 37.60 ? 86 PHE B C 1 ATOM 3794 O O . PHE B 1 58 ? 179.141 -87.188 90.837 1.00 38.59 ? 86 PHE B O 1 ATOM 3795 C CB . PHE B 1 58 ? 179.010 -84.257 89.762 1.00 36.50 ? 86 PHE B CB 1 ATOM 3796 C CG . PHE B 1 58 ? 180.117 -84.219 88.760 1.00 36.84 ? 86 PHE B CG 1 ATOM 3797 C CD1 . PHE B 1 58 ? 179.953 -83.559 87.552 1.00 36.13 ? 86 PHE B CD1 1 ATOM 3798 C CD2 . PHE B 1 58 ? 181.331 -84.831 89.030 1.00 38.07 ? 86 PHE B CD2 1 ATOM 3799 C CE1 . PHE B 1 58 ? 180.983 -83.520 86.623 1.00 36.63 ? 86 PHE B CE1 1 ATOM 3800 C CE2 . PHE B 1 58 ? 182.352 -84.809 88.113 1.00 38.55 ? 86 PHE B CE2 1 ATOM 3801 C CZ . PHE B 1 58 ? 182.185 -84.151 86.912 1.00 37.83 ? 86 PHE B CZ 1 ATOM 3802 N N . ASN B 1 59 ? 179.071 -87.414 88.591 1.00 37.65 ? 87 ASN B N 1 ATOM 3803 C CA . ASN B 1 59 ? 179.811 -88.677 88.568 1.00 38.86 ? 87 ASN B CA 1 ATOM 3804 C C . ASN B 1 59 ? 181.218 -88.443 88.023 1.00 39.70 ? 87 ASN B C 1 ATOM 3805 O O . ASN B 1 59 ? 181.394 -87.871 86.949 1.00 39.21 ? 87 ASN B O 1 ATOM 3806 C CB . ASN B 1 59 ? 179.066 -89.737 87.747 1.00 38.47 ? 87 ASN B CB 1 ATOM 3807 C CG . ASN B 1 59 ? 179.791 -91.088 87.716 1.00 39.78 ? 87 ASN B CG 1 ATOM 3808 O OD1 . ASN B 1 59 ? 180.553 -91.382 86.798 1.00 40.31 ? 87 ASN B OD1 1 ATOM 3809 N ND2 . ASN B 1 59 ? 179.554 -91.902 88.717 1.00 40.47 ? 87 ASN B ND2 1 ATOM 3810 N N . LEU B 1 60 ? 182.220 -88.877 88.767 1.00 41.13 ? 88 LEU B N 1 ATOM 3811 C CA . LEU B 1 60 ? 183.593 -88.548 88.382 1.00 42.23 ? 88 LEU B CA 1 ATOM 3812 C C . LEU B 1 60 ? 184.074 -89.360 87.188 1.00 46.61 ? 88 LEU B C 1 ATOM 3813 O O . LEU B 1 60 ? 184.817 -88.834 86.353 1.00 48.06 ? 88 LEU B O 1 ATOM 3814 C CB . LEU B 1 60 ? 184.533 -88.734 89.567 1.00 47.78 ? 88 LEU B CB 1 ATOM 3815 C CG . LEU B 1 60 ? 184.518 -87.488 90.450 1.00 48.72 ? 88 LEU B CG 1 ATOM 3816 C CD1 . LEU B 1 60 ? 183.317 -87.485 91.393 1.00 43.69 ? 88 LEU B CD1 1 ATOM 3817 C CD2 . LEU B 1 60 ? 185.817 -87.354 91.198 1.00 65.81 ? 88 LEU B CD2 1 ATOM 3818 N N . GLY B 1 61 ? 183.647 -90.619 87.065 1.00 47.80 ? 89 GLY B N 1 ATOM 3819 C CA . GLY B 1 61 ? 184.053 -91.402 85.908 1.00 55.91 ? 89 GLY B CA 1 ATOM 3820 C C . GLY B 1 61 ? 183.534 -90.820 84.609 1.00 43.44 ? 89 GLY B C 1 ATOM 3821 O O . GLY B 1 61 ? 184.279 -90.628 83.643 1.00 51.22 ? 89 GLY B O 1 ATOM 3822 N N . THR B 1 62 ? 182.255 -90.513 84.578 1.00 43.19 ? 90 THR B N 1 ATOM 3823 C CA . THR B 1 62 ? 181.636 -90.006 83.372 1.00 39.94 ? 90 THR B CA 1 ATOM 3824 C C . THR B 1 62 ? 181.787 -88.496 83.230 1.00 39.37 ? 90 THR B C 1 ATOM 3825 O O . THR B 1 62 ? 181.609 -87.970 82.127 1.00 39.01 ? 90 THR B O 1 ATOM 3826 C CB . THR B 1 62 ? 180.156 -90.407 83.392 1.00 44.99 ? 90 THR B CB 1 ATOM 3827 O OG1 . THR B 1 62 ? 179.567 -90.190 82.110 1.00 52.45 ? 90 THR B OG1 1 ATOM 3828 C CG2 . THR B 1 62 ? 179.434 -89.590 84.401 1.00 37.83 ? 90 THR B CG2 1 ATOM 3829 N N . MET B 1 63 ? 182.136 -87.804 84.313 1.00 39.40 ? 91 MET B N 1 ATOM 3830 C CA . MET B 1 63 ? 182.115 -86.356 84.377 1.00 38.68 ? 91 MET B CA 1 ATOM 3831 C C . MET B 1 63 ? 180.787 -85.785 83.885 1.00 37.34 ? 91 MET B C 1 ATOM 3832 O O . MET B 1 63 ? 180.733 -84.873 83.055 1.00 36.98 ? 91 MET B O 1 ATOM 3833 C CB . MET B 1 63 ? 183.301 -85.759 83.625 1.00 39.40 ? 91 MET B CB 1 ATOM 3834 C CG . MET B 1 63 ? 184.601 -85.867 84.428 1.00 43.37 ? 91 MET B CG 1 ATOM 3835 S SD . MET B 1 63 ? 186.015 -85.909 83.337 1.00 75.44 ? 91 MET B SD 1 ATOM 3836 C CE . MET B 1 63 ? 185.983 -84.250 82.653 1.00 95.19 ? 91 MET B CE 1 ATOM 3837 N N . GLN B 1 64 ? 179.701 -86.294 84.450 1.00 38.50 ? 92 GLN B N 1 ATOM 3838 C CA . GLN B 1 64 ? 178.375 -85.895 84.030 1.00 35.63 ? 92 GLN B CA 1 ATOM 3839 C C . GLN B 1 64 ? 177.461 -85.920 85.249 1.00 35.12 ? 92 GLN B C 1 ATOM 3840 O O . GLN B 1 64 ? 177.894 -86.215 86.368 1.00 38.84 ? 92 GLN B O 1 ATOM 3841 C CB . GLN B 1 64 ? 177.886 -86.809 82.905 1.00 38.25 ? 92 GLN B CB 1 ATOM 3842 C CG . GLN B 1 64 ? 178.419 -86.485 81.489 1.00 40.03 ? 92 GLN B CG 1 ATOM 3843 C CD . GLN B 1 64 ? 177.824 -87.458 80.455 1.00 36.11 ? 92 GLN B CD 1 ATOM 3844 O OE1 . GLN B 1 64 ? 177.506 -88.593 80.792 1.00 44.39 ? 92 GLN B OE1 1 ATOM 3845 N NE2 . GLN B 1 64 ? 177.655 -87.007 79.218 1.00 35.97 ? 92 GLN B NE2 1 ATOM 3846 N N . CYS B 1 65 ? 176.188 -85.623 85.033 1.00 34.24 ? 93 CYS B N 1 ATOM 3847 C CA . CYS B 1 65 ? 175.229 -85.504 86.120 1.00 33.84 ? 93 CYS B CA 1 ATOM 3848 C C . CYS B 1 65 ? 174.083 -86.501 85.957 1.00 33.43 ? 93 CYS B C 1 ATOM 3849 O O . CYS B 1 65 ? 173.606 -86.744 84.844 1.00 33.02 ? 93 CYS B O 1 ATOM 3850 C CB . CYS B 1 65 ? 174.689 -84.072 86.186 1.00 33.26 ? 93 CYS B CB 1 ATOM 3851 S SG . CYS B 1 65 ? 175.864 -82.824 86.851 1.00 33.59 ? 93 CYS B SG 1 ATOM 3852 N N . LEU B 1 66 ? 173.658 -87.081 87.075 1.00 33.62 ? 94 LEU B N 1 ATOM 3853 C CA . LEU B 1 66 ? 172.508 -87.971 87.104 1.00 33.22 ? 94 LEU B CA 1 ATOM 3854 C C . LEU B 1 66 ? 171.228 -87.254 86.686 1.00 32.36 ? 94 LEU B C 1 ATOM 3855 O O . LEU B 1 66 ? 170.911 -86.180 87.200 1.00 32.27 ? 94 LEU B O 1 ATOM 3856 C CB . LEU B 1 66 ? 172.320 -88.543 88.509 1.00 33.80 ? 94 LEU B CB 1 ATOM 3857 C CG . LEU B 1 66 ? 171.327 -89.727 88.588 1.00 33.58 ? 94 LEU B CG 1 ATOM 3858 C CD1 . LEU B 1 66 ? 171.865 -90.973 87.863 1.00 33.78 ? 94 LEU B CD1 1 ATOM 3859 C CD2 . LEU B 1 66 ? 170.926 -90.063 90.038 1.00 34.26 ? 94 LEU B CD2 1 ATOM 3860 N N . GLY B 1 67 ? 170.448 -87.882 85.806 1.00 31.83 ? 95 GLY B N 1 ATOM 3861 C CA . GLY B 1 67 ? 169.141 -87.313 85.555 1.00 31.21 ? 95 GLY B CA 1 ATOM 3862 C C . GLY B 1 67 ? 168.133 -88.211 84.871 1.00 30.66 ? 95 GLY B C 1 ATOM 3863 O O . GLY B 1 67 ? 168.410 -89.361 84.503 1.00 30.63 ? 95 GLY B O 1 ATOM 3864 N N . THR B 1 68 ? 166.936 -87.649 84.725 1.00 30.26 ? 96 THR B N 1 ATOM 3865 C CA . THR B 1 68 ? 165.894 -88.174 83.863 1.00 29.71 ? 96 THR B CA 1 ATOM 3866 C C . THR B 1 68 ? 165.492 -87.123 82.835 1.00 29.67 ? 96 THR B C 1 ATOM 3867 O O . THR B 1 68 ? 165.709 -85.914 83.013 1.00 30.00 ? 96 THR B O 1 ATOM 3868 C CB . THR B 1 68 ? 164.663 -88.630 84.671 1.00 29.47 ? 96 THR B CB 1 ATOM 3869 O OG1 . THR B 1 68 ? 163.917 -87.500 85.122 1.00 29.66 ? 96 THR B OG1 1 ATOM 3870 C CG2 . THR B 1 68 ? 165.089 -89.494 85.881 1.00 29.83 ? 96 THR B CG2 1 ATOM 3871 N N . GLY B 1 69 ? 164.890 -87.596 81.741 1.00 29.34 ? 97 GLY B N 1 ATOM 3872 C CA . GLY B 1 69 ? 164.541 -86.739 80.634 1.00 29.54 ? 97 GLY B CA 1 ATOM 3873 C C . GLY B 1 69 ? 163.059 -86.404 80.595 1.00 29.40 ? 97 GLY B C 1 ATOM 3874 O O . GLY B 1 69 ? 162.253 -86.866 81.404 1.00 29.09 ? 97 GLY B O 1 ATOM 3875 N N . TRP B 1 70 ? 162.712 -85.607 79.583 1.00 29.81 ? 98 TRP B N 1 ATOM 3876 C CA . TRP B 1 70 ? 161.339 -85.277 79.224 1.00 29.93 ? 98 TRP B CA 1 ATOM 3877 C C . TRP B 1 70 ? 161.074 -85.818 77.819 1.00 29.93 ? 98 TRP B C 1 ATOM 3878 O O . TRP B 1 70 ? 161.052 -85.054 76.847 1.00 30.66 ? 98 TRP B O 1 ATOM 3879 C CB . TRP B 1 70 ? 161.116 -83.755 79.264 1.00 30.72 ? 98 TRP B CB 1 ATOM 3880 C CG . TRP B 1 70 ? 161.394 -83.102 80.588 1.00 30.80 ? 98 TRP B CG 1 ATOM 3881 C CD1 . TRP B 1 70 ? 162.510 -82.399 80.938 1.00 31.02 ? 98 TRP B CD1 1 ATOM 3882 C CD2 . TRP B 1 70 ? 160.541 -83.098 81.735 1.00 30.76 ? 98 TRP B CD2 1 ATOM 3883 N NE1 . TRP B 1 70 ? 162.403 -81.959 82.230 1.00 31.08 ? 98 TRP B NE1 1 ATOM 3884 C CE2 . TRP B 1 70 ? 161.204 -82.374 82.742 1.00 30.99 ? 98 TRP B CE2 1 ATOM 3885 C CE3 . TRP B 1 70 ? 159.268 -83.611 81.999 1.00 30.64 ? 98 TRP B CE3 1 ATOM 3886 C CZ2 . TRP B 1 70 ? 160.650 -82.174 84.001 1.00 31.19 ? 98 TRP B CZ2 1 ATOM 3887 C CZ3 . TRP B 1 70 ? 158.716 -83.416 83.253 1.00 30.86 ? 98 TRP B CZ3 1 ATOM 3888 C CH2 . TRP B 1 70 ? 159.405 -82.694 84.234 1.00 31.18 ? 98 TRP B CH2 1 ATOM 3889 N N . PRO B 1 71 ? 160.897 -87.116 77.651 1.00 29.43 ? 99 PRO B N 1 ATOM 3890 C CA . PRO B 1 71 ? 160.600 -87.626 76.308 1.00 29.59 ? 99 PRO B CA 1 ATOM 3891 C C . PRO B 1 71 ? 159.190 -87.285 75.858 1.00 32.52 ? 99 PRO B C 1 ATOM 3892 O O . PRO B 1 71 ? 158.291 -87.043 76.666 1.00 30.25 ? 99 PRO B O 1 ATOM 3893 C CB . PRO B 1 71 ? 160.771 -89.138 76.459 1.00 28.37 ? 99 PRO B CB 1 ATOM 3894 C CG . PRO B 1 71 ? 160.463 -89.388 77.873 1.00 27.89 ? 99 PRO B CG 1 ATOM 3895 C CD . PRO B 1 71 ? 161.166 -88.225 78.577 1.00 30.56 ? 99 PRO B CD 1 ATOM 3896 N N . GLY B 1 72 ? 159.003 -87.316 74.526 1.00 29.97 ? 100 GLY B N 1 ATOM 3897 C CA . GLY B 1 72 ? 157.665 -87.237 73.967 1.00 30.22 ? 100 GLY B CA 1 ATOM 3898 C C . GLY B 1 72 ? 156.800 -88.416 74.340 1.00 29.11 ? 100 GLY B C 1 ATOM 3899 O O . GLY B 1 72 ? 155.571 -88.315 74.333 1.00 29.19 ? 100 GLY B O 1 ATOM 3900 N N . THR B 1 73 ? 157.413 -89.550 74.677 1.00 32.09 ? 101 THR B N 1 ATOM 3901 C CA . THR B 1 73 ? 156.621 -90.662 75.183 1.00 29.83 ? 101 THR B CA 1 ATOM 3902 C C . THR B 1 73 ? 156.408 -90.394 76.667 1.00 30.20 ? 101 THR B C 1 ATOM 3903 O O . THR B 1 73 ? 157.334 -90.581 77.474 1.00 28.84 ? 101 THR B O 1 ATOM 3904 C CB . THR B 1 73 ? 157.347 -91.996 74.969 1.00 28.26 ? 101 THR B CB 1 ATOM 3905 O OG1 . THR B 1 73 ? 158.733 -91.863 75.328 1.00 34.78 ? 101 THR B OG1 1 ATOM 3906 C CG2 . THR B 1 73 ? 157.259 -92.461 73.525 1.00 28.59 ? 101 THR B CG2 1 ATOM 3907 N N . ASN B 1 74 ? 155.172 -90.087 77.069 1.00 29.01 ? 102 ASN B N 1 ATOM 3908 C CA . ASN B 1 74 ? 155.011 -89.732 78.477 1.00 29.10 ? 102 ASN B CA 1 ATOM 3909 C C . ASN B 1 74 ? 154.864 -91.043 79.236 1.00 27.48 ? 102 ASN B C 1 ATOM 3910 O O . ASN B 1 74 ? 153.760 -91.502 79.509 1.00 27.27 ? 102 ASN B O 1 ATOM 3911 C CB . ASN B 1 74 ? 153.782 -88.869 78.680 1.00 30.71 ? 102 ASN B CB 1 ATOM 3912 C CG . ASN B 1 74 ? 153.648 -88.365 80.130 1.00 31.24 ? 102 ASN B CG 1 ATOM 3913 O OD1 . ASN B 1 74 ? 154.418 -88.796 81.017 1.00 30.31 ? 102 ASN B OD1 1 ATOM 3914 N ND2 . ASN B 1 74 ? 152.668 -87.466 80.378 1.00 33.03 ? 102 ASN B ND2 1 ATOM 3915 N N . THR B 1 75 ? 155.980 -91.551 79.745 1.00 29.03 ? 103 THR B N 1 ATOM 3916 C CA . THR B 1 75 ? 155.976 -92.859 80.384 1.00 27.76 ? 103 THR B CA 1 ATOM 3917 C C . THR B 1 75 ? 156.964 -92.839 81.546 1.00 27.99 ? 103 THR B C 1 ATOM 3918 O O . THR B 1 75 ? 157.479 -91.777 81.927 1.00 29.37 ? 103 THR B O 1 ATOM 3919 C CB . THR B 1 75 ? 156.273 -93.956 79.361 1.00 26.55 ? 103 THR B CB 1 ATOM 3920 O OG1 . THR B 1 75 ? 155.902 -95.220 79.928 1.00 33.38 ? 103 THR B OG1 1 ATOM 3921 C CG2 . THR B 1 75 ? 157.756 -93.970 78.947 1.00 26.64 ? 103 THR B CG2 1 ATOM 3922 N N . THR B 1 76 ? 157.206 -94.016 82.128 1.00 26.17 ? 104 THR B N 1 ATOM 3923 C CA . THR B 1 76 ? 158.036 -94.104 83.320 1.00 26.80 ? 104 THR B CA 1 ATOM 3924 C C . THR B 1 76 ? 159.454 -93.649 82.972 1.00 27.22 ? 104 THR B C 1 ATOM 3925 O O . THR B 1 76 ? 159.962 -93.954 81.896 1.00 26.71 ? 104 THR B O 1 ATOM 3926 C CB . THR B 1 76 ? 158.024 -95.545 83.868 1.00 26.23 ? 104 THR B CB 1 ATOM 3927 O OG1 . THR B 1 76 ? 158.335 -96.446 82.820 1.00 25.26 ? 104 THR B OG1 1 ATOM 3928 C CG2 . THR B 1 76 ? 156.649 -95.968 84.352 1.00 27.90 ? 104 THR B CG2 1 ATOM 3929 N N . ALA B 1 77 ? 160.063 -92.855 83.847 1.00 26.89 ? 105 ALA B N 1 ATOM 3930 C CA . ALA B 1 77 ? 161.443 -92.411 83.654 1.00 27.35 ? 105 ALA B CA 1 ATOM 3931 C C . ALA B 1 77 ? 162.452 -93.470 84.106 1.00 27.55 ? 105 ALA B C 1 ATOM 3932 O O . ALA B 1 77 ? 162.152 -94.358 84.920 1.00 27.57 ? 105 ALA B O 1 ATOM 3933 C CB . ALA B 1 77 ? 161.718 -91.105 84.415 1.00 28.06 ? 105 ALA B CB 1 ATOM 3934 N N . SER B 1 78 ? 163.665 -93.369 83.565 1.00 27.86 ? 106 SER B N 1 ATOM 3935 C CA . SER B 1 78 ? 164.807 -94.073 84.132 1.00 28.45 ? 106 SER B CA 1 ATOM 3936 C C . SER B 1 78 ? 166.034 -93.167 84.178 1.00 29.18 ? 106 SER B C 1 ATOM 3937 O O . SER B 1 78 ? 166.070 -92.072 83.617 1.00 36.66 ? 106 SER B O 1 ATOM 3938 C CB . SER B 1 78 ? 165.133 -95.365 83.363 1.00 28.17 ? 106 SER B CB 1 ATOM 3939 O OG . SER B 1 78 ? 165.285 -95.069 82.006 1.00 27.88 ? 106 SER B OG 1 ATOM 3940 N N . LEU B 1 79 ? 167.041 -93.663 84.875 1.00 29.93 ? 107 LEU B N 1 ATOM 3941 C CA . LEU B 1 79 ? 168.262 -92.941 85.149 1.00 30.73 ? 107 LEU B CA 1 ATOM 3942 C C . LEU B 1 79 ? 169.145 -92.824 83.915 1.00 30.83 ? 107 LEU B C 1 ATOM 3943 O O . LEU B 1 79 ? 169.233 -93.739 83.106 1.00 30.67 ? 107 LEU B O 1 ATOM 3944 C CB . LEU B 1 79 ? 169.009 -93.650 86.259 1.00 31.68 ? 107 LEU B CB 1 ATOM 3945 C CG . LEU B 1 79 ? 168.193 -93.704 87.543 1.00 31.87 ? 107 LEU B CG 1 ATOM 3946 C CD1 . LEU B 1 79 ? 168.862 -94.680 88.481 1.00 32.97 ? 107 LEU B CD1 1 ATOM 3947 C CD2 . LEU B 1 79 ? 168.125 -92.294 88.164 1.00 32.07 ? 107 LEU B CD2 1 ATOM 3948 N N . GLY B 1 80 ? 169.808 -91.681 83.777 1.00 31.16 ? 108 GLY B N 1 ATOM 3949 C CA . GLY B 1 80 ? 170.775 -91.486 82.717 1.00 31.53 ? 108 GLY B CA 1 ATOM 3950 C C . GLY B 1 80 ? 171.835 -90.519 83.192 1.00 32.21 ? 108 GLY B C 1 ATOM 3951 O O . GLY B 1 80 ? 171.688 -89.852 84.221 1.00 32.25 ? 108 GLY B O 1 ATOM 3952 N N . MET B 1 81 ? 172.920 -90.465 82.434 1.00 32.81 ? 109 MET B N 1 ATOM 3953 C CA . MET B 1 81 ? 173.997 -89.509 82.651 1.00 33.43 ? 109 MET B CA 1 ATOM 3954 C C . MET B 1 81 ? 173.963 -88.457 81.556 1.00 33.27 ? 109 MET B C 1 ATOM 3955 O O . MET B 1 81 ? 173.784 -88.787 80.380 1.00 33.26 ? 109 MET B O 1 ATOM 3956 C CB . MET B 1 81 ? 175.355 -90.210 82.676 1.00 34.52 ? 109 MET B CB 1 ATOM 3957 C CG . MET B 1 81 ? 175.489 -91.252 83.775 1.00 35.01 ? 109 MET B CG 1 ATOM 3958 S SD . MET B 1 81 ? 175.102 -90.690 85.455 1.00 39.43 ? 109 MET B SD 1 ATOM 3959 C CE . MET B 1 81 ? 176.144 -89.239 85.582 1.00 36.43 ? 109 MET B CE 1 ATOM 3960 N N . TYR B 1 82 ? 174.137 -87.185 81.943 1.00 33.23 ? 110 TYR B N 1 ATOM 3961 C CA . TYR B 1 82 ? 174.030 -86.069 81.013 1.00 33.17 ? 110 TYR B CA 1 ATOM 3962 C C . TYR B 1 82 ? 175.077 -85.007 81.306 1.00 33.61 ? 110 TYR B C 1 ATOM 3963 O O . TYR B 1 82 ? 175.523 -84.838 82.447 1.00 33.69 ? 110 TYR B O 1 ATOM 3964 C CB . TYR B 1 82 ? 172.665 -85.387 81.075 1.00 32.45 ? 110 TYR B CB 1 ATOM 3965 C CG . TYR B 1 82 ? 171.546 -86.313 80.807 1.00 31.94 ? 110 TYR B CG 1 ATOM 3966 C CD1 . TYR B 1 82 ? 171.117 -86.564 79.496 1.00 31.94 ? 110 TYR B CD1 1 ATOM 3967 C CD2 . TYR B 1 82 ? 170.924 -86.999 81.854 1.00 31.55 ? 110 TYR B CD2 1 ATOM 3968 C CE1 . TYR B 1 82 ? 170.078 -87.449 79.252 1.00 31.41 ? 110 TYR B CE1 1 ATOM 3969 C CE2 . TYR B 1 82 ? 169.893 -87.873 81.605 1.00 31.04 ? 110 TYR B CE2 1 ATOM 3970 C CZ . TYR B 1 82 ? 169.482 -88.095 80.304 1.00 30.90 ? 110 TYR B CZ 1 ATOM 3971 O OH . TYR B 1 82 ? 168.443 -88.970 80.081 1.00 30.32 ? 110 TYR B OH 1 ATOM 3972 N N . GLU B 1 83 ? 175.435 -84.281 80.249 1.00 33.95 ? 111 GLU B N 1 ATOM 3973 C CA . GLU B 1 83 ? 176.191 -83.054 80.381 1.00 34.21 ? 111 GLU B CA 1 ATOM 3974 C C . GLU B 1 83 ? 175.516 -82.176 81.424 1.00 33.53 ? 111 GLU B C 1 ATOM 3975 O O . GLU B 1 83 ? 174.296 -82.013 81.419 1.00 33.02 ? 111 GLU B O 1 ATOM 3976 C CB . GLU B 1 83 ? 176.251 -82.331 79.029 1.00 34.65 ? 111 GLU B CB 1 ATOM 3977 C CG . GLU B 1 83 ? 177.160 -82.983 78.019 1.00 43.26 ? 111 GLU B CG 1 ATOM 3978 C CD . GLU B 1 83 ? 178.611 -82.922 78.435 1.00 54.56 ? 111 GLU B CD 1 ATOM 3979 O OE1 . GLU B 1 83 ? 179.160 -81.790 78.469 1.00 61.95 ? 111 GLU B OE1 1 ATOM 3980 O OE2 . GLU B 1 83 ? 179.182 -83.995 78.744 1.00 46.04 ? 111 GLU B OE2 1 ATOM 3981 N N . CYS B 1 84 ? 176.311 -81.644 82.342 1.00 33.63 ? 112 CYS B N 1 ATOM 3982 C CA . CYS B 1 84 ? 175.724 -81.024 83.518 1.00 33.11 ? 112 CYS B CA 1 ATOM 3983 C C . CYS B 1 84 ? 175.089 -79.683 83.199 1.00 32.78 ? 112 CYS B C 1 ATOM 3984 O O . CYS B 1 84 ? 174.271 -79.206 83.986 1.00 32.39 ? 112 CYS B O 1 ATOM 3985 C CB . CYS B 1 84 ? 176.766 -80.876 84.632 1.00 33.67 ? 112 CYS B CB 1 ATOM 3986 S SG . CYS B 1 84 ? 177.239 -82.454 85.379 1.00 44.48 ? 112 CYS B SG 1 ATOM 3987 N N . ASP B 1 85 ? 175.395 -79.092 82.051 1.00 34.25 ? 113 ASP B N 1 ATOM 3988 C CA . ASP B 1 85 ? 174.751 -77.825 81.717 1.00 34.38 ? 113 ASP B CA 1 ATOM 3989 C C . ASP B 1 85 ? 173.383 -78.005 81.083 1.00 33.67 ? 113 ASP B C 1 ATOM 3990 O O . ASP B 1 85 ? 172.774 -77.010 80.691 1.00 39.00 ? 113 ASP B O 1 ATOM 3991 C CB . ASP B 1 85 ? 175.629 -76.959 80.792 1.00 35.84 ? 113 ASP B CB 1 ATOM 3992 C CG . ASP B 1 85 ? 176.136 -77.710 79.571 1.00 41.05 ? 113 ASP B CG 1 ATOM 3993 O OD1 . ASP B 1 85 ? 175.596 -78.789 79.248 1.00 45.29 ? 113 ASP B OD1 1 ATOM 3994 O OD2 . ASP B 1 85 ? 177.094 -77.226 78.928 1.00 55.19 ? 113 ASP B OD2 1 ATOM 3995 N N . ARG B 1 86 ? 172.852 -79.213 80.967 1.00 33.36 ? 114 ARG B N 1 ATOM 3996 C CA . ARG B 1 86 ? 171.565 -79.314 80.292 1.00 39.15 ? 114 ARG B CA 1 ATOM 3997 C C . ARG B 1 86 ? 170.483 -79.306 81.363 1.00 41.14 ? 114 ARG B C 1 ATOM 3998 O O . ARG B 1 86 ? 169.930 -80.341 81.719 1.00 36.54 ? 114 ARG B O 1 ATOM 3999 C CB . ARG B 1 86 ? 171.499 -80.588 79.458 1.00 32.81 ? 114 ARG B CB 1 ATOM 4000 C CG . ARG B 1 86 ? 172.500 -80.626 78.324 1.00 33.78 ? 114 ARG B CG 1 ATOM 4001 C CD . ARG B 1 86 ? 172.455 -81.954 77.634 1.00 33.67 ? 114 ARG B CD 1 ATOM 4002 N NE . ARG B 1 86 ? 171.149 -82.192 77.045 1.00 36.16 ? 114 ARG B NE 1 ATOM 4003 C CZ . ARG B 1 86 ? 170.803 -83.326 76.444 1.00 34.14 ? 114 ARG B CZ 1 ATOM 4004 N NH1 . ARG B 1 86 ? 171.667 -84.324 76.351 1.00 33.59 ? 114 ARG B NH1 1 ATOM 4005 N NH2 . ARG B 1 86 ? 169.592 -83.451 75.926 1.00 33.25 ? 114 ARG B NH2 1 ATOM 4006 N N . GLU B 1 87 ? 170.035 -78.108 81.722 1.00 34.67 ? 115 GLU B N 1 ATOM 4007 C CA . GLU B 1 87 ? 169.097 -77.986 82.825 1.00 36.12 ? 115 GLU B CA 1 ATOM 4008 C C . GLU B 1 87 ? 167.658 -77.832 82.349 1.00 36.47 ? 115 GLU B C 1 ATOM 4009 O O . GLU B 1 87 ? 166.757 -77.644 83.176 1.00 34.27 ? 115 GLU B O 1 ATOM 4010 C CB . GLU B 1 87 ? 169.551 -76.875 83.778 1.00 36.26 ? 115 GLU B CB 1 ATOM 4011 C CG . GLU B 1 87 ? 170.788 -77.399 84.570 1.00 44.12 ? 115 GLU B CG 1 ATOM 4012 C CD . GLU B 1 87 ? 171.577 -76.334 85.308 1.00 45.60 ? 115 GLU B CD 1 ATOM 4013 O OE1 . GLU B 1 87 ? 172.104 -75.385 84.659 1.00 48.28 ? 115 GLU B OE1 1 ATOM 4014 O OE2 . GLU B 1 87 ? 171.670 -76.464 86.552 1.00 44.75 ? 115 GLU B OE2 1 ATOM 4015 N N . ALA B 1 88 ? 167.421 -77.943 81.041 1.00 32.44 ? 116 ALA B N 1 ATOM 4016 C CA . ALA B 1 88 ? 166.084 -78.316 80.574 1.00 32.54 ? 116 ALA B CA 1 ATOM 4017 C C . ALA B 1 88 ? 165.711 -79.753 80.962 1.00 31.94 ? 116 ALA B C 1 ATOM 4018 O O . ALA B 1 88 ? 164.521 -80.066 81.083 1.00 31.86 ? 116 ALA B O 1 ATOM 4019 C CB . ALA B 1 88 ? 165.980 -78.173 79.056 1.00 33.17 ? 116 ALA B CB 1 ATOM 4020 N N . LEU B 1 89 ? 166.695 -80.647 81.098 1.00 31.67 ? 117 LEU B N 1 ATOM 4021 C CA . LEU B 1 89 ? 166.414 -81.991 81.580 1.00 32.81 ? 117 LEU B CA 1 ATOM 4022 C C . LEU B 1 89 ? 166.225 -81.938 83.088 1.00 30.99 ? 117 LEU B C 1 ATOM 4023 O O . LEU B 1 89 ? 166.410 -80.886 83.719 1.00 31.22 ? 117 LEU B O 1 ATOM 4024 C CB . LEU B 1 89 ? 167.535 -82.956 81.212 1.00 31.09 ? 117 LEU B CB 1 ATOM 4025 C CG . LEU B 1 89 ? 167.842 -82.917 79.719 1.00 40.18 ? 117 LEU B CG 1 ATOM 4026 C CD1 . LEU B 1 89 ? 168.891 -83.990 79.367 1.00 39.75 ? 117 LEU B CD1 1 ATOM 4027 C CD2 . LEU B 1 89 ? 166.541 -83.056 78.897 1.00 31.44 ? 117 LEU B CD2 1 ATOM 4028 N N . ASN B 1 90 ? 165.890 -83.085 83.691 1.00 30.69 ? 118 ASN B N 1 ATOM 4029 C CA . ASN B 1 90 ? 165.745 -83.118 85.137 1.00 30.79 ? 118 ASN B CA 1 ATOM 4030 C C . ASN B 1 90 ? 167.054 -83.656 85.696 1.00 30.92 ? 118 ASN B C 1 ATOM 4031 O O . ASN B 1 90 ? 167.254 -84.875 85.810 1.00 30.85 ? 118 ASN B O 1 ATOM 4032 C CB . ASN B 1 90 ? 164.561 -83.980 85.559 1.00 30.60 ? 118 ASN B CB 1 ATOM 4033 C CG . ASN B 1 90 ? 164.541 -84.219 87.041 1.00 30.92 ? 118 ASN B CG 1 ATOM 4034 O OD1 . ASN B 1 90 ? 164.800 -83.299 87.817 1.00 31.33 ? 118 ASN B OD1 1 ATOM 4035 N ND2 . ASN B 1 90 ? 164.296 -85.462 87.454 1.00 30.83 ? 118 ASN B ND2 1 ATOM 4036 N N . LEU B 1 91 ? 167.922 -82.729 86.091 1.00 31.20 ? 119 LEU B N 1 ATOM 4037 C CA . LEU B 1 91 ? 169.182 -83.041 86.749 1.00 31.51 ? 119 LEU B CA 1 ATOM 4038 C C . LEU B 1 91 ? 169.133 -82.786 88.235 1.00 31.88 ? 119 LEU B C 1 ATOM 4039 O O . LEU B 1 91 ? 170.165 -82.859 88.894 1.00 32.29 ? 119 LEU B O 1 ATOM 4040 C CB . LEU B 1 91 ? 170.325 -82.259 86.119 1.00 31.63 ? 119 LEU B CB 1 ATOM 4041 C CG . LEU B 1 91 ? 170.372 -82.334 84.594 1.00 31.51 ? 119 LEU B CG 1 ATOM 4042 C CD1 . LEU B 1 91 ? 171.596 -81.578 84.080 1.00 31.81 ? 119 LEU B CD1 1 ATOM 4043 C CD2 . LEU B 1 91 ? 170.378 -83.794 84.135 1.00 31.45 ? 119 LEU B CD2 1 ATOM 4044 N N . ARG B 1 92 ? 167.974 -82.429 88.766 1.00 31.90 ? 120 ARG B N 1 ATOM 4045 C CA . ARG B 1 92 ? 167.839 -81.956 90.141 1.00 32.41 ? 120 ARG B CA 1 ATOM 4046 C C . ARG B 1 92 ? 167.423 -83.098 91.054 1.00 32.85 ? 120 ARG B C 1 ATOM 4047 O O . ARG B 1 92 ? 166.418 -83.760 90.798 1.00 32.65 ? 120 ARG B O 1 ATOM 4048 C CB . ARG B 1 92 ? 166.816 -80.821 90.220 1.00 32.43 ? 120 ARG B CB 1 ATOM 4049 C CG . ARG B 1 92 ? 166.379 -80.437 91.643 1.00 42.39 ? 120 ARG B CG 1 ATOM 4050 C CD . ARG B 1 92 ? 165.549 -79.117 91.678 1.00 53.29 ? 120 ARG B CD 1 ATOM 4051 N NE . ARG B 1 92 ? 166.283 -78.020 91.061 1.00 51.26 ? 120 ARG B NE 1 ATOM 4052 C CZ . ARG B 1 92 ? 167.058 -77.176 91.738 1.00 53.07 ? 120 ARG B CZ 1 ATOM 4053 N NH1 . ARG B 1 92 ? 167.173 -77.303 93.058 1.00 57.27 ? 120 ARG B NH1 1 ATOM 4054 N NH2 . ARG B 1 92 ? 167.719 -76.213 91.098 1.00 46.81 ? 120 ARG B NH2 1 ATOM 4055 N N . TRP B 1 93 ? 168.186 -83.324 92.114 1.00 33.53 ? 121 TRP B N 1 ATOM 4056 C CA . TRP B 1 93 ? 167.875 -84.361 93.089 1.00 34.24 ? 121 TRP B CA 1 ATOM 4057 C C . TRP B 1 93 ? 167.853 -83.736 94.472 1.00 35.16 ? 121 TRP B C 1 ATOM 4058 O O . TRP B 1 93 ? 168.280 -82.595 94.676 1.00 35.16 ? 121 TRP B O 1 ATOM 4059 C CB . TRP B 1 93 ? 168.878 -85.532 93.045 1.00 34.57 ? 121 TRP B CB 1 ATOM 4060 C CG . TRP B 1 93 ? 168.955 -86.082 91.675 1.00 33.76 ? 121 TRP B CG 1 ATOM 4061 C CD1 . TRP B 1 93 ? 169.786 -85.669 90.673 1.00 33.33 ? 121 TRP B CD1 1 ATOM 4062 C CD2 . TRP B 1 93 ? 168.122 -87.085 91.119 1.00 33.32 ? 121 TRP B CD2 1 ATOM 4063 N NE1 . TRP B 1 93 ? 169.525 -86.364 89.532 1.00 32.75 ? 121 TRP B NE1 1 ATOM 4064 C CE2 . TRP B 1 93 ? 168.506 -87.246 89.777 1.00 32.66 ? 121 TRP B CE2 1 ATOM 4065 C CE3 . TRP B 1 93 ? 167.095 -87.886 91.627 1.00 33.47 ? 121 TRP B CE3 1 ATOM 4066 C CZ2 . TRP B 1 93 ? 167.901 -88.190 88.932 1.00 32.09 ? 121 TRP B CZ2 1 ATOM 4067 C CZ3 . TRP B 1 93 ? 166.492 -88.794 90.784 1.00 32.80 ? 121 TRP B CZ3 1 ATOM 4068 C CH2 . TRP B 1 93 ? 166.895 -88.935 89.454 1.00 32.09 ? 121 TRP B CH2 1 ATOM 4069 N N . HIS B 1 94 ? 167.320 -84.505 95.414 1.00 36.00 ? 122 HIS B N 1 ATOM 4070 C CA . HIS B 1 94 ? 167.192 -84.101 96.799 1.00 37.17 ? 122 HIS B CA 1 ATOM 4071 C C . HIS B 1 94 ? 167.732 -85.228 97.660 1.00 40.04 ? 122 HIS B C 1 ATOM 4072 O O . HIS B 1 94 ? 167.294 -86.376 97.529 1.00 49.01 ? 122 HIS B O 1 ATOM 4073 C CB . HIS B 1 94 ? 165.733 -83.802 97.128 1.00 40.40 ? 122 HIS B CB 1 ATOM 4074 C CG . HIS B 1 94 ? 165.114 -82.772 96.233 1.00 41.59 ? 122 HIS B CG 1 ATOM 4075 N ND1 . HIS B 1 94 ? 164.411 -83.103 95.090 1.00 35.91 ? 122 HIS B ND1 1 ATOM 4076 C CD2 . HIS B 1 94 ? 165.121 -81.416 96.296 1.00 37.70 ? 122 HIS B CD2 1 ATOM 4077 C CE1 . HIS B 1 94 ? 163.987 -81.995 94.502 1.00 36.29 ? 122 HIS B CE1 1 ATOM 4078 N NE2 . HIS B 1 94 ? 164.404 -80.957 95.214 1.00 36.38 ? 122 HIS B NE2 1 ATOM 4079 N N . CYS B 1 95 ? 168.689 -84.906 98.526 1.00 39.28 ? 123 CYS B N 1 ATOM 4080 C CA . CYS B 1 95 ? 169.456 -85.947 99.192 1.00 41.97 ? 123 CYS B CA 1 ATOM 4081 C C . CYS B 1 95 ? 168.630 -86.713 100.215 1.00 48.64 ? 123 CYS B C 1 ATOM 4082 O O . CYS B 1 95 ? 169.027 -87.808 100.613 1.00 52.88 ? 123 CYS B O 1 ATOM 4083 C CB . CYS B 1 95 ? 170.697 -85.341 99.851 1.00 46.14 ? 123 CYS B CB 1 ATOM 4084 S SG . CYS B 1 95 ? 170.358 -84.275 101.263 1.00 54.24 ? 123 CYS B SG 1 ATOM 4085 N N . ARG B 1 96 ? 167.501 -86.157 100.661 1.00 44.19 ? 124 ARG B N 1 ATOM 4086 C CA . ARG B 1 96 ? 166.648 -86.882 101.596 1.00 43.40 ? 124 ARG B CA 1 ATOM 4087 C C . ARG B 1 96 ? 165.958 -88.052 100.913 1.00 42.77 ? 124 ARG B C 1 ATOM 4088 O O . ARG B 1 96 ? 165.769 -89.106 101.527 1.00 43.93 ? 124 ARG B O 1 ATOM 4089 C CB . ARG B 1 96 ? 165.600 -85.947 102.201 1.00 55.70 ? 124 ARG B CB 1 ATOM 4090 C CG . ARG B 1 96 ? 166.117 -84.973 103.255 1.00 81.87 ? 124 ARG B CG 1 ATOM 4091 C CD . ARG B 1 96 ? 166.525 -85.686 104.533 1.00 106.69 ? 124 ARG B CD 1 ATOM 4092 N NE . ARG B 1 96 ? 166.650 -84.766 105.660 1.00 123.22 ? 124 ARG B NE 1 ATOM 4093 C CZ . ARG B 1 96 ? 167.053 -85.126 106.873 1.00 138.62 ? 124 ARG B CZ 1 ATOM 4094 N NH1 . ARG B 1 96 ? 167.376 -86.389 107.116 1.00 145.79 ? 124 ARG B NH1 1 ATOM 4095 N NH2 . ARG B 1 96 ? 167.136 -84.225 107.842 1.00 145.38 ? 124 ARG B NH2 1 ATOM 4096 N N . THR B 1 97 ? 165.505 -87.850 99.680 1.00 43.25 ? 125 THR B N 1 ATOM 4097 C CA . THR B 1 97 ? 164.679 -88.803 98.965 1.00 40.74 ? 125 THR B CA 1 ATOM 4098 C C . THR B 1 97 ? 165.440 -89.630 97.928 1.00 43.14 ? 125 THR B C 1 ATOM 4099 O O . THR B 1 97 ? 164.847 -90.523 97.315 1.00 43.94 ? 125 THR B O 1 ATOM 4100 C CB . THR B 1 97 ? 163.499 -88.070 98.322 1.00 41.61 ? 125 THR B CB 1 ATOM 4101 O OG1 . THR B 1 97 ? 163.949 -87.229 97.244 1.00 37.90 ? 125 THR B OG1 1 ATOM 4102 C CG2 . THR B 1 97 ? 162.779 -87.214 99.381 1.00 41.05 ? 125 THR B CG2 1 ATOM 4103 N N . LEU B 1 98 ? 166.743 -89.396 97.760 1.00 39.70 ? 126 LEU B N 1 ATOM 4104 C CA . LEU B 1 98 ? 167.490 -89.986 96.650 1.00 38.48 ? 126 LEU B CA 1 ATOM 4105 C C . LEU B 1 98 ? 167.498 -91.515 96.706 1.00 38.97 ? 126 LEU B C 1 ATOM 4106 O O . LEU B 1 98 ? 167.308 -92.184 95.681 1.00 37.94 ? 126 LEU B O 1 ATOM 4107 C CB . LEU B 1 98 ? 168.918 -89.429 96.651 1.00 38.79 ? 126 LEU B CB 1 ATOM 4108 C CG . LEU B 1 98 ? 169.880 -90.003 95.619 1.00 38.28 ? 126 LEU B CG 1 ATOM 4109 C CD1 . LEU B 1 98 ? 169.417 -89.681 94.197 1.00 36.63 ? 126 LEU B CD1 1 ATOM 4110 C CD2 . LEU B 1 98 ? 171.293 -89.505 95.901 1.00 39.00 ? 126 LEU B CD2 1 ATOM 4111 N N . GLY B 1 99 ? 167.744 -92.088 97.885 1.00 42.69 ? 127 GLY B N 1 ATOM 4112 C CA . GLY B 1 99 ? 167.697 -93.537 98.016 1.00 44.12 ? 127 GLY B CA 1 ATOM 4113 C C . GLY B 1 99 ? 166.395 -94.114 97.500 1.00 46.17 ? 127 GLY B C 1 ATOM 4114 O O . GLY B 1 99 ? 166.384 -95.037 96.678 1.00 39.48 ? 127 GLY B O 1 ATOM 4115 N N . ASP B 1 100 ? 165.274 -93.543 97.949 1.00 50.72 ? 128 ASP B N 1 ATOM 4116 C CA . ASP B 1 100 ? 163.962 -94.007 97.514 1.00 39.30 ? 128 ASP B CA 1 ATOM 4117 C C . ASP B 1 100 ? 163.814 -93.872 96.013 1.00 37.36 ? 128 ASP B C 1 ATOM 4118 O O . ASP B 1 100 ? 163.370 -94.805 95.337 1.00 36.53 ? 128 ASP B O 1 ATOM 4119 C CB . ASP B 1 100 ? 162.862 -93.210 98.215 1.00 46.65 ? 128 ASP B CB 1 ATOM 4120 C CG . ASP B 1 100 ? 162.933 -93.322 99.716 1.00 63.68 ? 128 ASP B CG 1 ATOM 4121 O OD1 . ASP B 1 100 ? 163.175 -94.445 100.217 1.00 51.06 ? 128 ASP B OD1 1 ATOM 4122 O OD2 . ASP B 1 100 ? 162.769 -92.278 100.383 1.00 81.53 ? 128 ASP B OD2 1 ATOM 4123 N N . GLN B 1 101 ? 164.201 -92.714 95.472 1.00 42.76 ? 129 GLN B N 1 ATOM 4124 C CA . GLN B 1 101 ? 163.988 -92.449 94.056 1.00 35.08 ? 129 GLN B CA 1 ATOM 4125 C C . GLN B 1 101 ? 164.886 -93.330 93.191 1.00 34.62 ? 129 GLN B C 1 ATOM 4126 O O . GLN B 1 101 ? 164.461 -93.804 92.132 1.00 33.49 ? 129 GLN B O 1 ATOM 4127 C CB . GLN B 1 101 ? 164.189 -90.951 93.774 1.00 34.74 ? 129 GLN B CB 1 ATOM 4128 C CG . GLN B 1 101 ? 162.862 -90.175 93.830 1.00 34.48 ? 129 GLN B CG 1 ATOM 4129 C CD . GLN B 1 101 ? 163.004 -88.642 93.814 1.00 34.48 ? 129 GLN B CD 1 ATOM 4130 O OE1 . GLN B 1 101 ? 164.050 -88.079 93.465 1.00 34.30 ? 129 GLN B OE1 1 ATOM 4131 N NE2 . GLN B 1 101 ? 161.942 -87.969 94.206 1.00 34.77 ? 129 GLN B NE2 1 ATOM 4132 N N . LEU B 1 102 ? 166.111 -93.606 93.642 1.00 35.60 ? 130 LEU B N 1 ATOM 4133 C CA . LEU B 1 102 ? 166.956 -94.564 92.927 1.00 35.48 ? 130 LEU B CA 1 ATOM 4134 C C . LEU B 1 102 ? 166.295 -95.937 92.847 1.00 35.31 ? 130 LEU B C 1 ATOM 4135 O O . LEU B 1 102 ? 166.270 -96.566 91.780 1.00 34.35 ? 130 LEU B O 1 ATOM 4136 C CB . LEU B 1 102 ? 168.324 -94.669 93.599 1.00 36.91 ? 130 LEU B CB 1 ATOM 4137 C CG . LEU B 1 102 ? 169.213 -93.438 93.414 1.00 36.88 ? 130 LEU B CG 1 ATOM 4138 C CD1 . LEU B 1 102 ? 170.483 -93.570 94.246 1.00 38.47 ? 130 LEU B CD1 1 ATOM 4139 C CD2 . LEU B 1 102 ? 169.551 -93.212 91.948 1.00 35.68 ? 130 LEU B CD2 1 ATOM 4140 N N . SER B 1 103 ? 165.765 -96.425 93.972 1.00 41.09 ? 131 SER B N 1 ATOM 4141 C CA . SER B 1 103 ? 165.100 -97.732 93.969 1.00 38.47 ? 131 SER B CA 1 ATOM 4142 C C . SER B 1 103 ? 163.935 -97.733 92.992 1.00 34.46 ? 131 SER B C 1 ATOM 4143 O O . SER B 1 103 ? 163.792 -98.645 92.171 1.00 33.59 ? 131 SER B O 1 ATOM 4144 C CB . SER B 1 103 ? 164.617 -98.091 95.381 1.00 40.14 ? 131 SER B CB 1 ATOM 4145 O OG . SER B 1 103 ? 165.684 -98.485 96.228 1.00 53.65 ? 131 SER B OG 1 ATOM 4146 N N . LEU B 1 104 ? 163.127 -96.673 93.027 1.00 41.12 ? 132 LEU B N 1 ATOM 4147 C CA . LEU B 1 104 ? 162.000 -96.553 92.112 1.00 33.07 ? 132 LEU B CA 1 ATOM 4148 C C . LEU B 1 104 ? 162.470 -96.489 90.664 1.00 31.37 ? 132 LEU B C 1 ATOM 4149 O O . LEU B 1 104 ? 161.998 -97.249 89.809 1.00 31.08 ? 132 LEU B O 1 ATOM 4150 C CB . LEU B 1 104 ? 161.188 -95.317 92.488 1.00 38.87 ? 132 LEU B CB 1 ATOM 4151 C CG . LEU B 1 104 ? 159.709 -95.255 92.147 1.00 32.41 ? 132 LEU B CG 1 ATOM 4152 C CD1 . LEU B 1 104 ? 159.006 -96.521 92.635 1.00 32.07 ? 132 LEU B CD1 1 ATOM 4153 C CD2 . LEU B 1 104 ? 159.114 -94.001 92.771 1.00 33.02 ? 132 LEU B CD2 1 ATOM 4154 N N . LEU B 1 105 ? 163.410 -95.598 90.361 1.00 31.53 ? 133 LEU B N 1 ATOM 4155 C CA . LEU B 1 105 ? 163.763 -95.411 88.957 1.00 30.57 ? 133 LEU B CA 1 ATOM 4156 C C . LEU B 1 105 ? 164.523 -96.609 88.374 1.00 30.49 ? 133 LEU B C 1 ATOM 4157 O O . LEU B 1 105 ? 164.429 -96.864 87.175 1.00 29.59 ? 133 LEU B O 1 ATOM 4158 C CB . LEU B 1 105 ? 164.549 -94.110 88.805 1.00 30.84 ? 133 LEU B CB 1 ATOM 4159 C CG . LEU B 1 105 ? 163.739 -92.874 89.279 1.00 30.90 ? 133 LEU B CG 1 ATOM 4160 C CD1 . LEU B 1 105 ? 164.577 -91.596 89.334 1.00 31.28 ? 133 LEU B CD1 1 ATOM 4161 C CD2 . LEU B 1 105 ? 162.488 -92.687 88.429 1.00 29.93 ? 133 LEU B CD2 1 ATOM 4162 N N . LEU B 1 106 ? 165.315 -97.321 89.180 1.00 31.58 ? 134 LEU B N 1 ATOM 4163 C CA . LEU B 1 106 ? 165.990 -98.522 88.679 1.00 31.69 ? 134 LEU B CA 1 ATOM 4164 C C . LEU B 1 106 ? 164.977 -99.589 88.302 1.00 30.77 ? 134 LEU B C 1 ATOM 4165 O O . LEU B 1 106 ? 165.126 -100.257 87.277 1.00 31.25 ? 134 LEU B O 1 ATOM 4166 C CB . LEU B 1 106 ? 166.970 -99.073 89.714 1.00 33.47 ? 134 LEU B CB 1 ATOM 4167 C CG . LEU B 1 106 ? 168.269 -98.291 89.872 1.00 41.14 ? 134 LEU B CG 1 ATOM 4168 C CD1 . LEU B 1 106 ? 169.086 -98.824 91.042 1.00 43.32 ? 134 LEU B CD1 1 ATOM 4169 C CD2 . LEU B 1 106 ? 169.042 -98.356 88.574 1.00 34.79 ? 134 LEU B CD2 1 ATOM 4170 N N . GLY B 1 107 ? 163.912 -99.717 89.073 1.00 30.72 ? 135 GLY B N 1 ATOM 4171 C CA . GLY B 1 107 ? 162.815 -100.553 88.655 1.00 29.65 ? 135 GLY B CA 1 ATOM 4172 C C . GLY B 1 107 ? 163.120 -102.026 88.892 1.00 30.06 ? 135 GLY B C 1 ATOM 4173 O O . GLY B 1 107 ? 163.955 -102.392 89.707 1.00 31.47 ? 135 GLY B O 1 ATOM 4174 N N . ALA B 1 108 ? 162.411 -102.875 88.169 1.00 28.88 ? 136 ALA B N 1 ATOM 4175 C CA . ALA B 1 108 ? 162.660 -104.303 88.274 1.00 29.15 ? 136 ALA B CA 1 ATOM 4176 C C . ALA B 1 108 ? 162.399 -104.948 86.921 1.00 27.67 ? 136 ALA B C 1 ATOM 4177 O O . ALA B 1 108 ? 161.370 -104.682 86.286 1.00 26.33 ? 136 ALA B O 1 ATOM 4178 C CB . ALA B 1 108 ? 161.789 -104.941 89.368 1.00 29.58 ? 136 ALA B CB 1 ATOM 4179 N N . ARG B 1 109 ? 163.330 -105.781 86.483 1.00 28.05 ? 137 ARG B N 1 ATOM 4180 C CA . ARG B 1 109 ? 162.974 -106.638 85.369 1.00 26.77 ? 137 ARG B CA 1 ATOM 4181 C C . ARG B 1 109 ? 162.104 -107.781 85.887 1.00 26.36 ? 137 ARG B C 1 ATOM 4182 O O . ARG B 1 109 ? 162.069 -108.059 87.086 1.00 27.45 ? 137 ARG B O 1 ATOM 4183 C CB . ARG B 1 109 ? 164.224 -107.159 84.673 1.00 27.38 ? 137 ARG B CB 1 ATOM 4184 C CG . ARG B 1 109 ? 165.094 -106.070 84.082 1.00 27.80 ? 137 ARG B CG 1 ATOM 4185 C CD . ARG B 1 109 ? 166.363 -106.702 83.520 1.00 28.73 ? 137 ARG B CD 1 ATOM 4186 N NE . ARG B 1 109 ? 167.099 -107.369 84.579 1.00 30.33 ? 137 ARG B NE 1 ATOM 4187 C CZ . ARG B 1 109 ? 167.391 -108.661 84.600 1.00 30.84 ? 137 ARG B CZ 1 ATOM 4188 N NH1 . ARG B 1 109 ? 167.054 -109.473 83.586 1.00 29.76 ? 137 ARG B NH1 1 ATOM 4189 N NH2 . ARG B 1 109 ? 168.066 -109.150 85.637 1.00 32.59 ? 137 ARG B NH2 1 ATOM 4190 N N . THR B 1 110 ? 161.343 -108.401 84.988 1.00 27.89 ? 138 THR B N 1 ATOM 4191 C CA . THR B 1 110 ? 160.571 -109.579 85.392 1.00 27.41 ? 138 THR B CA 1 ATOM 4192 C C . THR B 1 110 ? 161.474 -110.685 85.947 1.00 28.74 ? 138 THR B C 1 ATOM 4193 O O . THR B 1 110 ? 161.108 -111.347 86.926 1.00 29.36 ? 138 THR B O 1 ATOM 4194 C CB . THR B 1 110 ? 159.704 -110.094 84.233 1.00 25.48 ? 138 THR B CB 1 ATOM 4195 O OG1 . THR B 1 110 ? 158.608 -109.183 84.037 1.00 24.51 ? 138 THR B OG1 1 ATOM 4196 C CG2 . THR B 1 110 ? 159.095 -111.478 84.553 1.00 24.96 ? 138 THR B CG2 1 ATOM 4197 N N . SER B 1 111 ? 162.684 -110.848 85.397 1.00 26.39 ? 139 SER B N 1 ATOM 4198 C CA . SER B 1 111 ? 163.651 -111.799 85.965 1.00 28.04 ? 139 SER B CA 1 ATOM 4199 C C . SER B 1 111 ? 163.916 -111.565 87.452 1.00 29.89 ? 139 SER B C 1 ATOM 4200 O O . SER B 1 111 ? 164.177 -112.524 88.189 1.00 31.15 ? 139 SER B O 1 ATOM 4201 C CB . SER B 1 111 ? 164.988 -111.717 85.234 1.00 28.89 ? 139 SER B CB 1 ATOM 4202 O OG . SER B 1 111 ? 164.989 -112.429 84.032 1.00 27.85 ? 139 SER B OG 1 ATOM 4203 N N . ASN B 1 112 ? 163.900 -110.300 87.907 1.00 30.23 ? 140 ASN B N 1 ATOM 4204 C CA . ASN B 1 112 ? 164.203 -110.018 89.306 1.00 32.11 ? 140 ASN B CA 1 ATOM 4205 C C . ASN B 1 112 ? 163.076 -110.442 90.222 1.00 32.11 ? 140 ASN B C 1 ATOM 4206 O O . ASN B 1 112 ? 163.319 -110.741 91.387 1.00 33.94 ? 140 ASN B O 1 ATOM 4207 C CB . ASN B 1 112 ? 164.477 -108.517 89.526 1.00 32.42 ? 140 ASN B CB 1 ATOM 4208 C CG . ASN B 1 112 ? 165.662 -108.022 88.734 1.00 32.68 ? 140 ASN B CG 1 ATOM 4209 O OD1 . ASN B 1 112 ? 165.529 -107.106 87.948 1.00 31.59 ? 140 ASN B OD1 1 ATOM 4210 N ND2 . ASN B 1 112 ? 166.833 -108.651 88.919 1.00 34.27 ? 140 ASN B ND2 1 ATOM 4211 N N . ILE B 1 113 ? 161.832 -110.390 89.746 1.00 30.26 ? 141 ILE B N 1 ATOM 4212 C CA . ILE B 1 113 ? 160.695 -110.756 90.570 1.00 30.24 ? 141 ILE B CA 1 ATOM 4213 C C . ILE B 1 113 ? 160.174 -112.154 90.273 1.00 29.41 ? 141 ILE B C 1 ATOM 4214 O O . ILE B 1 113 ? 159.145 -112.548 90.845 1.00 29.20 ? 141 ILE B O 1 ATOM 4215 C CB . ILE B 1 113 ? 159.562 -109.706 90.457 1.00 29.04 ? 141 ILE B CB 1 ATOM 4216 C CG1 . ILE B 1 113 ? 158.897 -109.723 89.078 1.00 26.76 ? 141 ILE B CG1 1 ATOM 4217 C CG2 . ILE B 1 113 ? 160.109 -108.328 90.754 1.00 29.88 ? 141 ILE B CG2 1 ATOM 4218 C CD1 . ILE B 1 113 ? 157.818 -108.586 88.895 1.00 25.79 ? 141 ILE B CD1 1 ATOM 4219 N N . SER B 1 114 ? 160.769 -112.881 89.324 1.00 31.57 ? 142 SER B N 1 ATOM 4220 C CA . SER B 1 114 ? 160.391 -114.275 89.150 1.00 31.41 ? 142 SER B CA 1 ATOM 4221 C C . SER B 1 114 ? 161.642 -115.119 88.995 1.00 33.63 ? 142 SER B C 1 ATOM 4222 O O . SER B 1 114 ? 161.987 -115.520 87.883 1.00 32.17 ? 142 SER B O 1 ATOM 4223 C CB . SER B 1 114 ? 159.528 -114.385 87.947 1.00 28.31 ? 142 SER B CB 1 ATOM 4224 O OG . SER B 1 114 ? 159.204 -115.727 87.686 1.00 27.59 ? 142 SER B OG 1 ATOM 4225 N N . LYS B 1 115 ? 162.167 -115.592 90.101 1.00 32.32 ? 143 LYS B N 1 ATOM 4226 C CA . LYS B 1 115 ? 163.454 -116.240 90.095 1.00 34.03 ? 143 LYS B CA 1 ATOM 4227 C C . LYS B 1 115 ? 163.247 -117.631 90.663 1.00 36.09 ? 143 LYS B C 1 ATOM 4228 O O . LYS B 1 115 ? 162.206 -117.905 91.272 1.00 35.90 ? 143 LYS B O 1 ATOM 4229 C CB . LYS B 1 115 ? 164.503 -115.454 90.898 1.00 37.44 ? 143 LYS B CB 1 ATOM 4230 C CG . LYS B 1 115 ? 164.264 -115.337 92.369 1.00 52.05 ? 143 LYS B CG 1 ATOM 4231 C CD . LYS B 1 115 ? 165.274 -114.399 93.006 1.00 59.26 ? 143 LYS B CD 1 ATOM 4232 C CE . LYS B 1 115 ? 165.301 -113.074 92.284 1.00 63.27 ? 143 LYS B CE 1 ATOM 4233 N NZ . LYS B 1 115 ? 165.876 -111.963 93.111 1.00 78.06 ? 143 LYS B NZ 1 ATOM 4234 N N . PRO B 1 116 ? 164.172 -118.553 90.404 1.00 35.90 ? 144 PRO B N 1 ATOM 4235 C CA . PRO B 1 116 ? 163.996 -119.927 90.895 1.00 37.36 ? 144 PRO B CA 1 ATOM 4236 C C . PRO B 1 116 ? 164.007 -119.973 92.413 1.00 41.50 ? 144 PRO B C 1 ATOM 4237 O O . PRO B 1 116 ? 164.747 -119.238 93.066 1.00 44.00 ? 144 PRO B O 1 ATOM 4238 C CB . PRO B 1 116 ? 165.207 -120.674 90.307 1.00 39.44 ? 144 PRO B CB 1 ATOM 4239 C CG . PRO B 1 116 ? 165.570 -119.913 89.074 1.00 36.39 ? 144 PRO B CG 1 ATOM 4240 C CD . PRO B 1 116 ? 165.325 -118.437 89.489 1.00 36.18 ? 144 PRO B CD 1 ATOM 4241 N N . GLY B 1 117 ? 163.166 -120.848 92.966 1.00 42.83 ? 145 GLY B N 1 ATOM 4242 C CA . GLY B 1 117 ? 163.192 -121.191 94.372 1.00 54.97 ? 145 GLY B CA 1 ATOM 4243 C C . GLY B 1 117 ? 162.309 -120.344 95.253 1.00 70.66 ? 145 GLY B C 1 ATOM 4244 O O . GLY B 1 117 ? 162.102 -120.696 96.423 1.00 90.36 ? 145 GLY B O 1 ATOM 4245 N N . THR B 1 118 ? 161.775 -119.248 94.724 1.00 74.27 ? 146 THR B N 1 ATOM 4246 C CA . THR B 1 118 ? 161.076 -118.228 95.489 1.00 73.88 ? 146 THR B CA 1 ATOM 4247 C C . THR B 1 118 ? 159.567 -118.429 95.523 1.00 71.70 ? 146 THR B C 1 ATOM 4248 O O . THR B 1 118 ? 158.849 -117.506 95.909 1.00 65.61 ? 146 THR B O 1 ATOM 4249 C CB . THR B 1 118 ? 161.414 -116.838 94.951 1.00 65.33 ? 146 THR B CB 1 ATOM 4250 O OG1 . THR B 1 118 ? 161.259 -116.819 93.525 1.00 58.96 ? 146 THR B OG1 1 ATOM 4251 C CG2 . THR B 1 118 ? 162.850 -116.460 95.335 1.00 61.32 ? 146 THR B CG2 1 ATOM 4252 N N . LEU B 1 119 ? 159.070 -119.587 95.084 1.00 69.73 ? 147 LEU B N 1 ATOM 4253 C CA . LEU B 1 119 ? 157.633 -119.861 95.101 1.00 72.72 ? 147 LEU B CA 1 ATOM 4254 C C . LEU B 1 119 ? 156.977 -119.519 96.443 1.00 88.66 ? 147 LEU B C 1 ATOM 4255 O O . LEU B 1 119 ? 155.768 -119.253 96.484 1.00 80.37 ? 147 LEU B O 1 ATOM 4256 C CB . LEU B 1 119 ? 157.383 -121.336 94.752 1.00 69.85 ? 147 LEU B CB 1 ATOM 4257 C CG . LEU B 1 119 ? 158.085 -122.465 95.534 1.00 77.45 ? 147 LEU B CG 1 ATOM 4258 C CD1 . LEU B 1 119 ? 157.332 -123.780 95.327 1.00 78.40 ? 147 LEU B CD1 1 ATOM 4259 C CD2 . LEU B 1 119 ? 159.575 -122.645 95.169 1.00 72.40 ? 147 LEU B CD2 1 ATOM 4260 N N . GLU B 1 120 ? 157.741 -119.521 97.540 1.00 71.02 ? 148 GLU B N 1 ATOM 4261 C CA . GLU B 1 120 ? 157.225 -119.023 98.813 1.00 83.01 ? 148 GLU B CA 1 ATOM 4262 C C . GLU B 1 120 ? 157.025 -117.502 98.784 1.00 76.22 ? 148 GLU B C 1 ATOM 4263 O O . GLU B 1 120 ? 155.949 -117.011 99.152 1.00 72.80 ? 148 GLU B O 1 ATOM 4264 C CB . GLU B 1 120 ? 158.152 -119.454 99.964 1.00 102.58 ? 148 GLU B CB 1 ATOM 4265 C CG . GLU B 1 120 ? 159.430 -118.615 100.211 1.00 108.92 ? 148 GLU B CG 1 ATOM 4266 C CD . GLU B 1 120 ? 160.661 -119.150 99.497 1.00 108.47 ? 148 GLU B CD 1 ATOM 4267 O OE1 . GLU B 1 120 ? 161.627 -118.377 99.321 1.00 109.22 ? 148 GLU B OE1 1 ATOM 4268 O OE2 . GLU B 1 120 ? 160.668 -120.341 99.119 1.00 108.37 ? 148 GLU B OE2 1 ATOM 4269 N N . ARG B 1 121 ? 158.040 -116.743 98.322 1.00 74.65 ? 149 ARG B N 1 ATOM 4270 C CA . ARG B 1 121 ? 158.000 -115.278 98.227 1.00 68.06 ? 149 ARG B CA 1 ATOM 4271 C C . ARG B 1 121 ? 159.293 -114.700 97.633 1.00 55.99 ? 149 ARG B C 1 ATOM 4272 O O . ARG B 1 121 ? 160.375 -115.272 97.819 1.00 64.33 ? 149 ARG B O 1 ATOM 4273 C CB . ARG B 1 121 ? 157.797 -114.692 99.633 1.00 88.27 ? 149 ARG B CB 1 ATOM 4274 C CG . ARG B 1 121 ? 156.563 -113.824 99.861 1.00 91.08 ? 149 ARG B CG 1 ATOM 4275 C CD . ARG B 1 121 ? 155.611 -114.440 100.891 1.00 103.44 ? 149 ARG B CD 1 ATOM 4276 N NE . ARG B 1 121 ? 154.628 -115.319 100.253 1.00 98.80 ? 149 ARG B NE 1 ATOM 4277 C CZ . ARG B 1 121 ? 153.367 -114.968 100.004 1.00 90.87 ? 149 ARG B CZ 1 ATOM 4278 N NH1 . ARG B 1 121 ? 152.537 -115.822 99.400 1.00 78.44 ? 149 ARG B NH1 1 ATOM 4279 N NH2 . ARG B 1 121 ? 152.942 -113.755 100.359 1.00 93.52 ? 149 ARG B NH2 1 ATOM 4280 N N . GLY B 1 122 ? 159.219 -113.549 96.953 1.00 73.58 ? 150 GLY B N 1 ATOM 4281 C CA . GLY B 1 122 ? 160.399 -112.786 96.564 1.00 75.88 ? 150 GLY B CA 1 ATOM 4282 C C . GLY B 1 122 ? 160.588 -111.551 97.426 1.00 85.94 ? 150 GLY B C 1 ATOM 4283 O O . GLY B 1 122 ? 159.615 -110.888 97.790 1.00 82.00 ? 150 GLY B O 1 ATOM 4284 N N . ASP B 1 123 ? 161.843 -111.165 97.664 1.00 76.26 ? 151 ASP B N 1 ATOM 4285 C CA . ASP B 1 123 ? 162.082 -110.070 98.601 1.00 86.42 ? 151 ASP B CA 1 ATOM 4286 C C . ASP B 1 123 ? 163.414 -109.387 98.318 1.00 89.46 ? 151 ASP B C 1 ATOM 4287 O O . ASP B 1 123 ? 164.323 -109.964 97.711 1.00 96.41 ? 151 ASP B O 1 ATOM 4288 C CB . ASP B 1 123 ? 162.051 -110.537 100.068 1.00 97.13 ? 151 ASP B CB 1 ATOM 4289 C CG . ASP B 1 123 ? 161.791 -112.025 100.216 1.00 97.24 ? 151 ASP B CG 1 ATOM 4290 O OD1 . ASP B 1 123 ? 162.423 -112.825 99.494 1.00 94.14 ? 151 ASP B OD1 1 ATOM 4291 O OD2 . ASP B 1 123 ? 160.944 -112.394 101.053 1.00 100.38 ? 151 ASP B OD2 1 ATOM 4292 N N . GLN B 1 124 ? 163.500 -108.140 98.776 1.00 96.01 ? 152 GLN B N 1 ATOM 4293 C CA . GLN B 1 124 ? 164.747 -107.392 98.868 1.00 92.52 ? 152 GLN B CA 1 ATOM 4294 C C . GLN B 1 124 ? 164.613 -106.398 100.022 1.00 83.43 ? 152 GLN B C 1 ATOM 4295 O O . GLN B 1 124 ? 163.731 -106.542 100.878 1.00 66.74 ? 152 GLN B O 1 ATOM 4296 C CB . GLN B 1 124 ? 165.077 -106.668 97.556 1.00 86.91 ? 152 GLN B CB 1 ATOM 4297 C CG . GLN B 1 124 ? 165.774 -107.535 96.495 1.00 86.72 ? 152 GLN B CG 1 ATOM 4298 C CD . GLN B 1 124 ? 165.934 -106.811 95.160 1.00 82.45 ? 152 GLN B CD 1 ATOM 4299 O OE1 . GLN B 1 124 ? 165.725 -105.593 95.071 1.00 81.19 ? 152 GLN B OE1 1 ATOM 4300 N NE2 . GLN B 1 124 ? 166.294 -107.557 94.114 1.00 79.06 ? 152 GLN B NE2 1 ATOM 4301 N N . GLY B 1 128 ? 166.235 -101.976 101.718 1.00 54.17 ? 156 GLY B N 1 ATOM 4302 C CA . GLY B 1 128 ? 166.237 -101.179 100.504 1.00 54.24 ? 156 GLY B CA 1 ATOM 4303 C C . GLY B 1 128 ? 166.955 -99.844 100.630 1.00 64.45 ? 156 GLY B C 1 ATOM 4304 O O . GLY B 1 128 ? 167.421 -99.306 99.638 1.00 64.19 ? 156 GLY B O 1 ATOM 4305 N N . GLN B 1 129 ? 167.043 -99.343 101.864 1.00 58.55 ? 157 GLN B N 1 ATOM 4306 C CA . GLN B 1 129 ? 167.653 -98.051 102.175 1.00 62.96 ? 157 GLN B CA 1 ATOM 4307 C C . GLN B 1 129 ? 169.091 -97.962 101.661 1.00 61.79 ? 157 GLN B C 1 ATOM 4308 O O . GLN B 1 129 ? 169.847 -98.936 101.726 1.00 68.54 ? 157 GLN B O 1 ATOM 4309 C CB . GLN B 1 129 ? 167.624 -97.843 103.698 1.00 78.19 ? 157 GLN B CB 1 ATOM 4310 C CG . GLN B 1 129 ? 167.763 -96.404 104.175 1.00 89.40 ? 157 GLN B CG 1 ATOM 4311 C CD . GLN B 1 129 ? 166.498 -95.583 103.965 1.00 87.23 ? 157 GLN B CD 1 ATOM 4312 O OE1 . GLN B 1 129 ? 165.379 -96.090 104.100 1.00 85.89 ? 157 GLN B OE1 1 ATOM 4313 N NE2 . GLN B 1 129 ? 166.673 -94.305 103.623 1.00 81.61 ? 157 GLN B NE2 1 ATOM 4314 N N . TRP B 1 130 ? 169.481 -96.770 101.176 1.00 52.92 ? 158 TRP B N 1 ATOM 4315 C CA . TRP B 1 130 ? 170.807 -96.529 100.613 1.00 52.12 ? 158 TRP B CA 1 ATOM 4316 C C . TRP B 1 130 ? 171.639 -95.643 101.525 1.00 53.01 ? 158 TRP B C 1 ATOM 4317 O O . TRP B 1 130 ? 171.116 -94.788 102.246 1.00 52.77 ? 158 TRP B O 1 ATOM 4318 C CB . TRP B 1 130 ? 170.748 -95.840 99.257 1.00 48.34 ? 158 TRP B CB 1 ATOM 4319 C CG . TRP B 1 130 ? 169.961 -96.509 98.208 1.00 47.10 ? 158 TRP B CG 1 ATOM 4320 C CD1 . TRP B 1 130 ? 168.625 -96.799 98.229 1.00 46.90 ? 158 TRP B CD1 1 ATOM 4321 C CD2 . TRP B 1 130 ? 170.442 -96.911 96.925 1.00 45.90 ? 158 TRP B CD2 1 ATOM 4322 N NE1 . TRP B 1 130 ? 168.255 -97.382 97.041 1.00 45.59 ? 158 TRP B NE1 1 ATOM 4323 C CE2 . TRP B 1 130 ? 169.356 -97.462 96.225 1.00 45.01 ? 158 TRP B CE2 1 ATOM 4324 C CE3 . TRP B 1 130 ? 171.697 -96.881 96.311 1.00 45.75 ? 158 TRP B CE3 1 ATOM 4325 C CZ2 . TRP B 1 130 ? 169.487 -97.974 94.934 1.00 43.99 ? 158 TRP B CZ2 1 ATOM 4326 C CZ3 . TRP B 1 130 ? 171.824 -97.383 95.040 1.00 44.85 ? 158 TRP B CZ3 1 ATOM 4327 C CH2 . TRP B 1 130 ? 170.729 -97.926 94.362 1.00 43.99 ? 158 TRP B CH2 1 ATOM 4328 N N . ARG B 1 131 ? 172.953 -95.822 101.445 1.00 52.61 ? 159 ARG B N 1 ATOM 4329 C CA . ARG B 1 131 ? 173.874 -95.194 102.380 1.00 54.09 ? 159 ARG B CA 1 ATOM 4330 C C . ARG B 1 131 ? 175.202 -94.953 101.673 1.00 53.23 ? 159 ARG B C 1 ATOM 4331 O O . ARG B 1 131 ? 175.461 -95.485 100.591 1.00 52.34 ? 159 ARG B O 1 ATOM 4332 C CB . ARG B 1 131 ? 174.071 -96.067 103.636 1.00 58.73 ? 159 ARG B CB 1 ATOM 4333 C CG . ARG B 1 131 ? 172.784 -96.358 104.441 1.00 66.33 ? 159 ARG B CG 1 ATOM 4334 C CD . ARG B 1 131 ? 172.568 -95.334 105.559 1.00 81.11 ? 159 ARG B CD 1 ATOM 4335 N NE . ARG B 1 131 ? 171.161 -94.998 105.781 1.00 83.79 ? 159 ARG B NE 1 ATOM 4336 C CZ . ARG B 1 131 ? 170.739 -94.112 106.685 1.00 91.66 ? 159 ARG B CZ 1 ATOM 4337 N NH1 . ARG B 1 131 ? 171.612 -93.475 107.464 1.00 92.03 ? 159 ARG B NH1 1 ATOM 4338 N NH2 . ARG B 1 131 ? 169.443 -93.859 106.814 1.00 94.27 ? 159 ARG B NH2 1 ATOM 4339 N N . ILE B 1 132 ? 176.036 -94.117 102.280 1.00 56.37 ? 160 ILE B N 1 ATOM 4340 C CA . ILE B 1 132 ? 177.391 -93.940 101.779 1.00 54.92 ? 160 ILE B CA 1 ATOM 4341 C C . ILE B 1 132 ? 178.195 -95.197 102.084 1.00 70.17 ? 160 ILE B C 1 ATOM 4342 O O . ILE B 1 132 ? 178.164 -95.716 103.208 1.00 74.69 ? 160 ILE B O 1 ATOM 4343 C CB . ILE B 1 132 ? 178.032 -92.689 102.401 1.00 55.30 ? 160 ILE B CB 1 ATOM 4344 C CG1 . ILE B 1 132 ? 177.275 -91.443 101.952 1.00 51.11 ? 160 ILE B CG1 1 ATOM 4345 C CG2 . ILE B 1 132 ? 179.519 -92.583 102.040 1.00 56.48 ? 160 ILE B CG2 1 ATOM 4346 C CD1 . ILE B 1 132 ? 177.748 -90.195 102.599 1.00 51.31 ? 160 ILE B CD1 1 ATOM 4347 N N . TYR B 1 133 ? 178.898 -95.706 101.076 1.00 55.37 ? 161 TYR B N 1 ATOM 4348 C CA . TYR B 1 133 ? 179.768 -96.861 101.266 1.00 64.09 ? 161 TYR B CA 1 ATOM 4349 C C . TYR B 1 133 ? 180.812 -96.535 102.326 1.00 76.51 ? 161 TYR B C 1 ATOM 4350 O O . TYR B 1 133 ? 181.201 -95.381 102.501 1.00 78.46 ? 161 TYR B O 1 ATOM 4351 C CB . TYR B 1 133 ? 180.426 -97.230 99.934 1.00 57.28 ? 161 TYR B CB 1 ATOM 4352 C CG . TYR B 1 133 ? 181.191 -98.530 99.907 1.00 72.87 ? 161 TYR B CG 1 ATOM 4353 C CD1 . TYR B 1 133 ? 180.528 -99.752 99.843 1.00 76.45 ? 161 TYR B CD1 1 ATOM 4354 C CD2 . TYR B 1 133 ? 182.584 -98.538 99.902 1.00 82.88 ? 161 TYR B CD2 1 ATOM 4355 C CE1 . TYR B 1 133 ? 181.233 -100.952 99.803 1.00 87.77 ? 161 TYR B CE1 1 ATOM 4356 C CE2 . TYR B 1 133 ? 183.293 -99.725 99.856 1.00 96.58 ? 161 TYR B CE2 1 ATOM 4357 C CZ . TYR B 1 133 ? 182.614 -100.931 99.806 1.00 99.58 ? 161 TYR B CZ 1 ATOM 4358 O OH . TYR B 1 133 ? 183.320 -102.110 99.762 1.00 113.34 ? 161 TYR B OH 1 ATOM 4359 N N . GLY B 1 134 ? 181.274 -97.552 103.048 1.00 70.14 ? 162 GLY B N 1 ATOM 4360 C CA . GLY B 1 134 ? 182.017 -97.228 104.254 1.00 81.39 ? 162 GLY B CA 1 ATOM 4361 C C . GLY B 1 134 ? 181.094 -96.699 105.332 1.00 83.42 ? 162 GLY B C 1 ATOM 4362 O O . GLY B 1 134 ? 180.202 -97.413 105.793 1.00 88.52 ? 162 GLY B O 1 ATOM 4363 N N . SER B 1 135 ? 181.263 -95.434 105.701 1.00 79.20 ? 163 SER B N 1 ATOM 4364 C CA . SER B 1 135 ? 180.730 -94.841 106.926 1.00 94.83 ? 163 SER B CA 1 ATOM 4365 C C . SER B 1 135 ? 179.286 -95.210 107.241 1.00 94.68 ? 163 SER B C 1 ATOM 4366 O O . SER B 1 135 ? 178.863 -95.121 108.397 1.00 105.40 ? 163 SER B O 1 ATOM 4367 C CB . SER B 1 135 ? 180.805 -93.320 106.825 1.00 91.07 ? 163 SER B CB 1 ATOM 4368 O OG . SER B 1 135 ? 179.739 -92.852 106.012 1.00 80.18 ? 163 SER B OG 1 ATOM 4369 N N . GLU B 1 136 ? 178.515 -95.577 106.222 1.00 92.79 ? 164 GLU B N 1 ATOM 4370 C CA . GLU B 1 136 ? 177.105 -95.935 106.378 1.00 86.47 ? 164 GLU B CA 1 ATOM 4371 C C . GLU B 1 136 ? 176.285 -94.751 106.889 1.00 74.07 ? 164 GLU B C 1 ATOM 4372 O O . GLU B 1 136 ? 175.231 -94.925 107.512 1.00 69.31 ? 164 GLU B O 1 ATOM 4373 C CB . GLU B 1 136 ? 176.925 -97.161 107.282 1.00 105.18 ? 164 GLU B CB 1 ATOM 4374 C CG . GLU B 1 136 ? 175.774 -98.089 106.866 1.00 105.88 ? 164 GLU B CG 1 ATOM 4375 C CD . GLU B 1 136 ? 176.081 -98.903 105.614 1.00 101.86 ? 164 GLU B CD 1 ATOM 4376 O OE1 . GLU B 1 136 ? 177.270 -99.042 105.256 1.00 109.89 ? 164 GLU B OE1 1 ATOM 4377 O OE2 . GLU B 1 136 ? 175.132 -99.408 104.982 1.00 92.44 ? 164 GLU B OE2 1 ATOM 4378 N N . GLU B 1 137 ? 176.771 -93.542 106.621 1.00 87.97 ? 165 GLU B N 1 ATOM 4379 C CA . GLU B 1 137 ? 175.957 -92.346 106.746 1.00 78.54 ? 165 GLU B CA 1 ATOM 4380 C C . GLU B 1 137 ? 174.948 -92.267 105.598 1.00 66.96 ? 165 GLU B C 1 ATOM 4381 O O . GLU B 1 137 ? 175.092 -92.916 104.553 1.00 57.98 ? 165 GLU B O 1 ATOM 4382 C CB . GLU B 1 137 ? 176.846 -91.104 106.757 1.00 84.08 ? 165 GLU B CB 1 ATOM 4383 C CG . GLU B 1 137 ? 177.434 -90.748 108.112 1.00 97.99 ? 165 GLU B CG 1 ATOM 4384 C CD . GLU B 1 137 ? 176.378 -90.253 109.081 1.00 107.39 ? 165 GLU B CD 1 ATOM 4385 O OE1 . GLU B 1 137 ? 175.276 -89.877 108.618 1.00 101.29 ? 165 GLU B OE1 1 ATOM 4386 O OE2 . GLU B 1 137 ? 176.645 -90.247 110.302 1.00 117.57 ? 165 GLU B OE2 1 ATOM 4387 N N . ASP B 1 138 ? 173.899 -91.473 105.800 1.00 81.91 ? 166 ASP B N 1 ATOM 4388 C CA . ASP B 1 138 ? 172.922 -91.337 104.732 1.00 73.19 ? 166 ASP B CA 1 ATOM 4389 C C . ASP B 1 138 ? 173.495 -90.439 103.633 1.00 64.75 ? 166 ASP B C 1 ATOM 4390 O O . ASP B 1 138 ? 174.591 -89.884 103.761 1.00 56.10 ? 166 ASP B O 1 ATOM 4391 C CB . ASP B 1 138 ? 171.588 -90.833 105.287 1.00 74.73 ? 166 ASP B CB 1 ATOM 4392 C CG . ASP B 1 138 ? 171.586 -89.348 105.604 1.00 74.15 ? 166 ASP B CG 1 ATOM 4393 O OD1 . ASP B 1 138 ? 172.656 -88.699 105.619 1.00 79.82 ? 166 ASP B OD1 1 ATOM 4394 O OD2 . ASP B 1 138 ? 170.483 -88.822 105.859 1.00 73.41 ? 166 ASP B OD2 1 ATOM 4395 N N . LEU B 1 139 ? 172.742 -90.280 102.540 1.00 78.88 ? 167 LEU B N 1 ATOM 4396 C CA . LEU B 1 139 ? 173.270 -89.614 101.354 1.00 63.02 ? 167 LEU B CA 1 ATOM 4397 C C . LEU B 1 139 ? 173.318 -88.098 101.489 1.00 54.55 ? 167 LEU B C 1 ATOM 4398 O O . LEU B 1 139 ? 173.850 -87.434 100.596 1.00 49.92 ? 167 LEU B O 1 ATOM 4399 C CB . LEU B 1 139 ? 172.455 -90.008 100.118 1.00 48.95 ? 167 LEU B CB 1 ATOM 4400 C CG . LEU B 1 139 ? 172.403 -91.520 99.854 1.00 51.43 ? 167 LEU B CG 1 ATOM 4401 C CD1 . LEU B 1 139 ? 171.388 -91.852 98.772 1.00 48.70 ? 167 LEU B CD1 1 ATOM 4402 C CD2 . LEU B 1 139 ? 173.775 -92.068 99.472 1.00 54.56 ? 167 LEU B CD2 1 ATOM 4403 N N . CYS B 1 140 ? 172.788 -87.540 102.574 1.00 59.40 ? 168 CYS B N 1 ATOM 4404 C CA . CYS B 1 140 ? 172.940 -86.127 102.894 1.00 53.25 ? 168 CYS B CA 1 ATOM 4405 C C . CYS B 1 140 ? 174.214 -85.816 103.677 1.00 61.75 ? 168 CYS B C 1 ATOM 4406 O O . CYS B 1 140 ? 174.441 -84.652 104.036 1.00 58.43 ? 168 CYS B O 1 ATOM 4407 C CB . CYS B 1 140 ? 171.731 -85.636 103.688 1.00 47.70 ? 168 CYS B CB 1 ATOM 4408 S SG . CYS B 1 140 ? 170.165 -85.653 102.775 1.00 72.63 ? 168 CYS B SG 1 ATOM 4409 N N . ALA B 1 141 ? 175.054 -86.819 103.945 1.00 55.45 ? 169 ALA B N 1 ATOM 4410 C CA . ALA B 1 141 ? 176.171 -86.632 104.868 1.00 63.64 ? 169 ALA B CA 1 ATOM 4411 C C . ALA B 1 141 ? 177.282 -85.741 104.314 1.00 57.46 ? 169 ALA B C 1 ATOM 4412 O O . ALA B 1 141 ? 178.061 -85.187 105.096 1.00 66.14 ? 169 ALA B O 1 ATOM 4413 C CB . ALA B 1 141 ? 176.746 -87.990 105.258 1.00 64.56 ? 169 ALA B CB 1 ATOM 4414 N N . LEU B 1 142 ? 177.395 -85.602 102.999 1.00 48.34 ? 170 LEU B N 1 ATOM 4415 C CA . LEU B 1 142 ? 178.414 -84.761 102.374 1.00 46.73 ? 170 LEU B CA 1 ATOM 4416 C C . LEU B 1 142 ? 177.731 -83.791 101.421 1.00 44.50 ? 170 LEU B C 1 ATOM 4417 O O . LEU B 1 142 ? 177.924 -83.848 100.197 1.00 43.25 ? 170 LEU B O 1 ATOM 4418 C CB . LEU B 1 142 ? 179.447 -85.611 101.638 1.00 47.07 ? 170 LEU B CB 1 ATOM 4419 C CG . LEU B 1 142 ? 180.109 -86.711 102.444 1.00 58.09 ? 170 LEU B CG 1 ATOM 4420 C CD1 . LEU B 1 142 ? 180.772 -87.703 101.500 1.00 65.94 ? 170 LEU B CD1 1 ATOM 4421 C CD2 . LEU B 1 142 ? 181.119 -86.082 103.382 1.00 60.84 ? 170 LEU B CD2 1 ATOM 4422 N N . PRO B 1 143 ? 176.939 -82.865 101.955 1.00 55.48 ? 171 PRO B N 1 ATOM 4423 C CA . PRO B 1 143 ? 176.213 -81.942 101.077 1.00 43.57 ? 171 PRO B CA 1 ATOM 4424 C C . PRO B 1 143 ? 177.154 -81.017 100.339 1.00 43.21 ? 171 PRO B C 1 ATOM 4425 O O . PRO B 1 143 ? 178.363 -81.006 100.590 1.00 52.73 ? 171 PRO B O 1 ATOM 4426 C CB . PRO B 1 143 ? 175.329 -81.163 102.048 1.00 44.63 ? 171 PRO B CB 1 ATOM 4427 C CG . PRO B 1 143 ? 176.153 -81.125 103.303 1.00 56.22 ? 171 PRO B CG 1 ATOM 4428 C CD . PRO B 1 143 ? 176.837 -82.471 103.372 1.00 60.36 ? 171 PRO B CD 1 ATOM 4429 N N . TYR B 1 144 ? 176.592 -80.213 99.451 1.00 54.33 ? 172 TYR B N 1 ATOM 4430 C CA . TYR B 1 144 ? 177.350 -79.226 98.710 1.00 49.36 ? 172 TYR B CA 1 ATOM 4431 C C . TYR B 1 144 ? 177.318 -77.884 99.431 1.00 46.55 ? 172 TYR B C 1 ATOM 4432 O O . TYR B 1 144 ? 176.267 -77.443 99.899 1.00 46.32 ? 172 TYR B O 1 ATOM 4433 C CB . TYR B 1 144 ? 176.779 -79.081 97.302 1.00 42.30 ? 172 TYR B CB 1 ATOM 4434 C CG . TYR B 1 144 ? 177.327 -77.904 96.546 1.00 38.40 ? 172 TYR B CG 1 ATOM 4435 C CD1 . TYR B 1 144 ? 178.595 -77.934 95.996 1.00 38.50 ? 172 TYR B CD1 1 ATOM 4436 C CD2 . TYR B 1 144 ? 176.558 -76.764 96.372 1.00 35.59 ? 172 TYR B CD2 1 ATOM 4437 C CE1 . TYR B 1 144 ? 179.085 -76.842 95.286 1.00 35.81 ? 172 TYR B CE1 1 ATOM 4438 C CE2 . TYR B 1 144 ? 177.034 -75.672 95.683 1.00 34.38 ? 172 TYR B CE2 1 ATOM 4439 C CZ . TYR B 1 144 ? 178.301 -75.710 95.145 1.00 34.30 ? 172 TYR B CZ 1 ATOM 4440 O OH . TYR B 1 144 ? 178.744 -74.627 94.435 1.00 33.49 ? 172 TYR B OH 1 ATOM 4441 N N . HIS B 1 145 ? 178.469 -77.218 99.486 1.00 48.03 ? 173 HIS B N 1 ATOM 4442 C CA . HIS B 1 145 ? 178.577 -75.895 100.096 1.00 43.55 ? 173 HIS B CA 1 ATOM 4443 C C . HIS B 1 145 ? 179.128 -74.900 99.085 1.00 37.51 ? 173 HIS B C 1 ATOM 4444 O O . HIS B 1 145 ? 180.130 -75.172 98.408 1.00 37.14 ? 173 HIS B O 1 ATOM 4445 C CB . HIS B 1 145 ? 179.457 -75.932 101.351 1.00 49.32 ? 173 HIS B CB 1 ATOM 4446 C CG . HIS B 1 145 ? 178.957 -76.873 102.403 1.00 71.84 ? 173 HIS B CG 1 ATOM 4447 N ND1 . HIS B 1 145 ? 179.605 -78.047 102.722 1.00 84.88 ? 173 HIS B ND1 1 ATOM 4448 C CD2 . HIS B 1 145 ? 177.852 -76.829 103.186 1.00 76.61 ? 173 HIS B CD2 1 ATOM 4449 C CE1 . HIS B 1 145 ? 178.931 -78.677 103.669 1.00 87.60 ? 173 HIS B CE1 1 ATOM 4450 N NE2 . HIS B 1 145 ? 177.864 -77.959 103.969 1.00 82.71 ? 173 HIS B NE2 1 ATOM 4451 N N . GLU B 1 146 ? 178.470 -73.751 98.988 1.00 41.06 ? 174 GLU B N 1 ATOM 4452 C CA . GLU B 1 146 ? 178.982 -72.667 98.176 1.00 36.98 ? 174 GLU B CA 1 ATOM 4453 C C . GLU B 1 146 ? 180.311 -72.164 98.715 1.00 37.94 ? 174 GLU B C 1 ATOM 4454 O O . GLU B 1 146 ? 180.498 -71.997 99.923 1.00 43.27 ? 174 GLU B O 1 ATOM 4455 C CB . GLU B 1 146 ? 177.985 -71.523 98.142 1.00 35.84 ? 174 GLU B CB 1 ATOM 4456 C CG . GLU B 1 146 ? 176.680 -71.946 97.601 1.00 41.49 ? 174 GLU B CG 1 ATOM 4457 C CD . GLU B 1 146 ? 176.215 -71.014 96.546 1.00 46.25 ? 174 GLU B CD 1 ATOM 4458 O OE1 . GLU B 1 146 ? 176.022 -69.818 96.871 1.00 47.57 ? 174 GLU B OE1 1 ATOM 4459 O OE2 . GLU B 1 146 ? 176.077 -71.470 95.390 1.00 51.04 ? 174 GLU B OE2 1 ATOM 4460 N N . VAL B 1 147 ? 181.214 -71.884 97.791 1.00 38.77 ? 175 VAL B N 1 ATOM 4461 C CA . VAL B 1 147 ? 182.571 -71.474 98.073 1.00 39.52 ? 175 VAL B CA 1 ATOM 4462 C C . VAL B 1 147 ? 182.736 -70.109 97.429 1.00 35.04 ? 175 VAL B C 1 ATOM 4463 O O . VAL B 1 147 ? 182.818 -70.009 96.199 1.00 32.66 ? 175 VAL B O 1 ATOM 4464 C CB . VAL B 1 147 ? 183.570 -72.487 97.505 1.00 41.87 ? 175 VAL B CB 1 ATOM 4465 C CG1 . VAL B 1 147 ? 184.948 -72.064 97.744 1.00 43.29 ? 175 VAL B CG1 1 ATOM 4466 C CG2 . VAL B 1 147 ? 183.326 -73.853 98.131 1.00 46.50 ? 175 VAL B CG2 1 ATOM 4467 N N . TYR B 1 148 ? 182.807 -69.058 98.248 1.00 32.28 ? 176 TYR B N 1 ATOM 4468 C CA . TYR B 1 148 ? 182.905 -67.709 97.701 1.00 31.09 ? 176 TYR B CA 1 ATOM 4469 C C . TYR B 1 148 ? 184.305 -67.450 97.179 1.00 30.75 ? 176 TYR B C 1 ATOM 4470 O O . TYR B 1 148 ? 185.289 -67.805 97.821 1.00 31.34 ? 176 TYR B O 1 ATOM 4471 C CB . TYR B 1 148 ? 182.513 -66.686 98.759 1.00 30.86 ? 176 TYR B CB 1 ATOM 4472 C CG . TYR B 1 148 ? 181.102 -66.934 99.214 1.00 33.79 ? 176 TYR B CG 1 ATOM 4473 C CD1 . TYR B 1 148 ? 180.027 -66.360 98.545 1.00 36.52 ? 176 TYR B CD1 1 ATOM 4474 C CD2 . TYR B 1 148 ? 180.834 -67.803 100.262 1.00 48.69 ? 176 TYR B CD2 1 ATOM 4475 C CE1 . TYR B 1 148 ? 178.730 -66.609 98.938 1.00 44.25 ? 176 TYR B CE1 1 ATOM 4476 C CE2 . TYR B 1 148 ? 179.535 -68.064 100.665 1.00 53.80 ? 176 TYR B CE2 1 ATOM 4477 C CZ . TYR B 1 148 ? 178.493 -67.464 100.001 1.00 53.39 ? 176 TYR B CZ 1 ATOM 4478 O OH . TYR B 1 148 ? 177.215 -67.713 100.402 1.00 58.31 ? 176 TYR B OH 1 ATOM 4479 N N . THR B 1 149 ? 184.395 -66.871 95.993 1.00 30.55 ? 177 THR B N 1 ATOM 4480 C CA . THR B 1 149 ? 185.693 -66.622 95.389 1.00 33.94 ? 177 THR B CA 1 ATOM 4481 C C . THR B 1 149 ? 186.361 -65.386 95.985 1.00 38.85 ? 177 THR B C 1 ATOM 4482 O O . THR B 1 149 ? 185.695 -64.471 96.489 1.00 31.12 ? 177 THR B O 1 ATOM 4483 C CB . THR B 1 149 ? 185.567 -66.452 93.880 1.00 29.38 ? 177 THR B CB 1 ATOM 4484 O OG1 . THR B 1 149 ? 184.549 -65.492 93.600 1.00 28.69 ? 177 THR B OG1 1 ATOM 4485 C CG2 . THR B 1 149 ? 185.196 -67.767 93.248 1.00 34.93 ? 177 THR B CG2 1 ATOM 4486 N N . ILE B 1 150 ? 187.697 -65.374 95.916 1.00 36.40 ? 178 ILE B N 1 ATOM 4487 C CA . ILE B 1 150 ? 188.543 -64.304 96.440 1.00 28.74 ? 178 ILE B CA 1 ATOM 4488 C C . ILE B 1 150 ? 189.210 -63.610 95.257 1.00 28.06 ? 178 ILE B C 1 ATOM 4489 O O . ILE B 1 150 ? 189.823 -64.266 94.403 1.00 28.64 ? 178 ILE B O 1 ATOM 4490 C CB . ILE B 1 150 ? 189.600 -64.846 97.423 1.00 29.57 ? 178 ILE B CB 1 ATOM 4491 C CG1 . ILE B 1 150 ? 188.969 -65.657 98.573 1.00 32.73 ? 178 ILE B CG1 1 ATOM 4492 C CG2 . ILE B 1 150 ? 190.439 -63.731 97.988 1.00 28.79 ? 178 ILE B CG2 1 ATOM 4493 C CD1 . ILE B 1 150 ? 188.116 -64.842 99.527 1.00 30.46 ? 178 ILE B CD1 1 ATOM 4494 N N . GLN B 1 151 ? 189.108 -62.281 95.214 1.00 26.63 ? 179 GLN B N 1 ATOM 4495 C CA . GLN B 1 151 ? 189.663 -61.485 94.127 1.00 26.03 ? 179 GLN B CA 1 ATOM 4496 C C . GLN B 1 151 ? 189.144 -62.032 92.810 1.00 26.54 ? 179 GLN B C 1 ATOM 4497 O O . GLN B 1 151 ? 187.972 -62.373 92.734 1.00 26.74 ? 179 GLN B O 1 ATOM 4498 C CB . GLN B 1 151 ? 191.191 -61.430 94.233 1.00 26.09 ? 179 GLN B CB 1 ATOM 4499 C CG . GLN B 1 151 ? 191.605 -60.829 95.577 1.00 25.56 ? 179 GLN B CG 1 ATOM 4500 C CD . GLN B 1 151 ? 193.063 -60.390 95.657 1.00 25.30 ? 179 GLN B CD 1 ATOM 4501 O OE1 . GLN B 1 151 ? 193.802 -60.476 94.702 1.00 25.54 ? 179 GLN B OE1 1 ATOM 4502 N NE2 . GLN B 1 151 ? 193.478 -59.964 96.814 1.00 24.96 ? 179 GLN B NE2 1 ATOM 4503 N N . GLY B 1 152 ? 189.955 -62.140 91.778 1.00 27.03 ? 180 GLY B N 1 ATOM 4504 C CA . GLY B 1 152 ? 189.225 -62.544 90.593 1.00 27.52 ? 180 GLY B CA 1 ATOM 4505 C C . GLY B 1 152 ? 188.460 -61.370 89.978 1.00 26.88 ? 180 GLY B C 1 ATOM 4506 O O . GLY B 1 152 ? 188.776 -60.185 90.203 1.00 26.06 ? 180 GLY B O 1 ATOM 4507 N N . ASN B 1 153 ? 187.565 -61.709 89.051 1.00 27.23 ? 181 ASN B N 1 ATOM 4508 C CA . ASN B 1 153 ? 186.687 -60.730 88.422 1.00 26.98 ? 181 ASN B CA 1 ATOM 4509 C C . ASN B 1 153 ? 185.219 -60.899 88.765 1.00 27.03 ? 181 ASN B C 1 ATOM 4510 O O . ASN B 1 153 ? 184.387 -60.403 88.014 1.00 27.24 ? 181 ASN B O 1 ATOM 4511 C CB . ASN B 1 153 ? 186.881 -60.683 86.902 1.00 27.70 ? 181 ASN B CB 1 ATOM 4512 C CG . ASN B 1 153 ? 186.684 -62.007 86.231 1.00 28.69 ? 181 ASN B CG 1 ATOM 4513 O OD1 . ASN B 1 153 ? 186.131 -62.939 86.804 1.00 33.73 ? 181 ASN B OD1 1 ATOM 4514 N ND2 . ASN B 1 153 ? 187.123 -62.095 84.987 1.00 32.97 ? 181 ASN B ND2 1 ATOM 4515 N N . SER B 1 154 ? 184.875 -61.734 89.730 1.00 27.10 ? 182 SER B N 1 ATOM 4516 C CA . SER B 1 154 ? 183.487 -62.112 89.989 1.00 27.36 ? 182 SER B CA 1 ATOM 4517 C C . SER B 1 154 ? 182.859 -61.442 91.200 1.00 26.88 ? 182 SER B C 1 ATOM 4518 O O . SER B 1 154 ? 181.768 -61.857 91.609 1.00 27.21 ? 182 SER B O 1 ATOM 4519 C CB . SER B 1 154 ? 183.386 -63.637 90.145 1.00 28.00 ? 182 SER B CB 1 ATOM 4520 O OG . SER B 1 154 ? 183.941 -64.236 88.993 1.00 28.54 ? 182 SER B OG 1 ATOM 4521 N N . HIS B 1 155 ? 183.567 -60.531 91.868 1.00 26.95 ? 183 HIS B N 1 ATOM 4522 C CA . HIS B 1 155 ? 183.009 -59.799 93.007 1.00 27.27 ? 183 HIS B CA 1 ATOM 4523 C C . HIS B 1 155 ? 182.584 -60.725 94.143 1.00 31.22 ? 183 HIS B C 1 ATOM 4524 O O . HIS B 1 155 ? 181.661 -60.408 94.897 1.00 34.68 ? 183 HIS B O 1 ATOM 4525 C CB . HIS B 1 155 ? 181.845 -58.912 92.553 1.00 31.63 ? 183 HIS B CB 1 ATOM 4526 C CG . HIS B 1 155 ? 182.185 -58.072 91.360 1.00 31.49 ? 183 HIS B CG 1 ATOM 4527 N ND1 . HIS B 1 155 ? 182.991 -56.948 91.443 1.00 25.60 ? 183 HIS B ND1 1 ATOM 4528 C CD2 . HIS B 1 155 ? 181.885 -58.224 90.048 1.00 30.29 ? 183 HIS B CD2 1 ATOM 4529 C CE1 . HIS B 1 155 ? 183.142 -56.428 90.235 1.00 29.06 ? 183 HIS B CE1 1 ATOM 4530 N NE2 . HIS B 1 155 ? 182.479 -57.181 89.372 1.00 35.38 ? 183 HIS B NE2 1 ATOM 4531 N N . GLY B 1 156 ? 183.276 -61.859 94.289 1.00 26.75 ? 184 GLY B N 1 ATOM 4532 C CA . GLY B 1 156 ? 183.072 -62.785 95.384 1.00 27.38 ? 184 GLY B CA 1 ATOM 4533 C C . GLY B 1 156 ? 182.075 -63.873 95.093 1.00 31.05 ? 184 GLY B C 1 ATOM 4534 O O . GLY B 1 156 ? 181.811 -64.706 95.976 1.00 37.58 ? 184 GLY B O 1 ATOM 4535 N N . LYS B 1 157 ? 181.502 -63.883 93.889 1.00 28.06 ? 185 LYS B N 1 ATOM 4536 C CA . LYS B 1 157 ? 180.433 -64.820 93.570 1.00 31.94 ? 185 LYS B CA 1 ATOM 4537 C C . LYS B 1 157 ? 180.938 -66.248 93.757 1.00 29.86 ? 185 LYS B C 1 ATOM 4538 O O . LYS B 1 157 ? 182.110 -66.531 93.491 1.00 29.76 ? 185 LYS B O 1 ATOM 4539 C CB . LYS B 1 157 ? 179.936 -64.585 92.136 1.00 40.12 ? 185 LYS B CB 1 ATOM 4540 C CG . LYS B 1 157 ? 178.989 -65.650 91.600 1.00 53.23 ? 185 LYS B CG 1 ATOM 4541 C CD . LYS B 1 157 ? 178.499 -65.360 90.180 1.00 55.77 ? 185 LYS B CD 1 ATOM 4542 C CE . LYS B 1 157 ? 177.539 -66.479 89.691 1.00 54.65 ? 185 LYS B CE 1 ATOM 4543 N NZ . LYS B 1 157 ? 177.259 -66.411 88.216 1.00 53.15 ? 185 LYS B NZ 1 ATOM 4544 N N . PRO B 1 158 ? 180.113 -67.145 94.278 1.00 30.11 ? 186 PRO B N 1 ATOM 4545 C CA . PRO B 1 158 ? 180.584 -68.507 94.572 1.00 32.69 ? 186 PRO B CA 1 ATOM 4546 C C . PRO B 1 158 ? 181.067 -69.247 93.328 1.00 35.35 ? 186 PRO B C 1 ATOM 4547 O O . PRO B 1 158 ? 180.714 -68.918 92.190 1.00 30.61 ? 186 PRO B O 1 ATOM 4548 C CB . PRO B 1 158 ? 179.352 -69.199 95.172 1.00 33.47 ? 186 PRO B CB 1 ATOM 4549 C CG . PRO B 1 158 ? 178.210 -68.240 95.026 1.00 35.77 ? 186 PRO B CG 1 ATOM 4550 C CD . PRO B 1 158 ? 178.767 -66.875 94.801 1.00 30.27 ? 186 PRO B CD 1 ATOM 4551 N N . CYS B 1 159 ? 181.922 -70.245 93.559 1.00 31.31 ? 187 CYS B N 1 ATOM 4552 C CA . CYS B 1 159 ? 182.309 -71.133 92.470 1.00 31.65 ? 187 CYS B CA 1 ATOM 4553 C C . CYS B 1 159 ? 181.075 -71.764 91.835 1.00 39.51 ? 187 CYS B C 1 ATOM 4554 O O . CYS B 1 159 ? 180.146 -72.178 92.528 1.00 41.46 ? 187 CYS B O 1 ATOM 4555 C CB . CYS B 1 159 ? 183.217 -72.244 92.978 1.00 32.98 ? 187 CYS B CB 1 ATOM 4556 S SG . CYS B 1 159 ? 184.800 -71.713 93.554 1.00 42.60 ? 187 CYS B SG 1 ATOM 4557 N N . THR B 1 160 ? 181.073 -71.854 90.513 1.00 38.38 ? 188 THR B N 1 ATOM 4558 C CA . THR B 1 160 ? 180.074 -72.636 89.804 1.00 36.56 ? 188 THR B CA 1 ATOM 4559 C C . THR B 1 160 ? 180.648 -74.029 89.626 1.00 42.94 ? 188 THR B C 1 ATOM 4560 O O . THR B 1 160 ? 181.511 -74.246 88.769 1.00 39.85 ? 188 THR B O 1 ATOM 4561 C CB . THR B 1 160 ? 179.755 -72.025 88.444 1.00 36.26 ? 188 THR B CB 1 ATOM 4562 O OG1 . THR B 1 160 ? 179.180 -70.731 88.622 1.00 38.98 ? 188 THR B OG1 1 ATOM 4563 C CG2 . THR B 1 160 ? 178.784 -72.912 87.678 1.00 34.08 ? 188 THR B CG2 1 ATOM 4564 N N . ILE B 1 161 ? 180.136 -74.971 90.406 1.00 32.80 ? 189 ILE B N 1 ATOM 4565 C CA . ILE B 1 161 ? 180.579 -76.349 90.391 1.00 34.01 ? 189 ILE B CA 1 ATOM 4566 C C . ILE B 1 161 ? 179.429 -77.204 89.859 1.00 42.10 ? 189 ILE B C 1 ATOM 4567 O O . ILE B 1 161 ? 178.321 -77.150 90.392 1.00 49.33 ? 189 ILE B O 1 ATOM 4568 C CB . ILE B 1 161 ? 181.003 -76.805 91.801 1.00 37.41 ? 189 ILE B CB 1 ATOM 4569 C CG1 . ILE B 1 161 ? 182.035 -75.840 92.393 1.00 35.76 ? 189 ILE B CG1 1 ATOM 4570 C CG2 . ILE B 1 161 ? 181.443 -78.279 91.804 1.00 39.97 ? 189 ILE B CG2 1 ATOM 4571 C CD1 . ILE B 1 161 ? 183.347 -75.888 91.727 1.00 34.74 ? 189 ILE B CD1 1 ATOM 4572 N N . PRO B 1 162 ? 179.673 -77.970 88.797 1.00 36.45 ? 190 PRO B N 1 ATOM 4573 C CA . PRO B 1 162 ? 180.897 -78.047 87.996 1.00 39.91 ? 190 PRO B CA 1 ATOM 4574 C C . PRO B 1 162 ? 181.009 -76.900 87.000 1.00 36.47 ? 190 PRO B C 1 ATOM 4575 O O . PRO B 1 162 ? 179.999 -76.273 86.704 1.00 37.24 ? 190 PRO B O 1 ATOM 4576 C CB . PRO B 1 162 ? 180.743 -79.375 87.268 1.00 42.71 ? 190 PRO B CB 1 ATOM 4577 C CG . PRO B 1 162 ? 179.279 -79.486 87.074 1.00 44.74 ? 190 PRO B CG 1 ATOM 4578 C CD . PRO B 1 162 ? 178.659 -78.920 88.317 1.00 41.20 ? 190 PRO B CD 1 ATOM 4579 N N . PHE B 1 163 ? 182.209 -76.613 86.507 1.00 34.16 ? 191 PHE B N 1 ATOM 4580 C CA . PHE B 1 163 ? 182.388 -75.624 85.454 1.00 33.96 ? 191 PHE B CA 1 ATOM 4581 C C . PHE B 1 163 ? 183.228 -76.243 84.353 1.00 34.85 ? 191 PHE B C 1 ATOM 4582 O O . PHE B 1 163 ? 183.969 -77.200 84.577 1.00 35.59 ? 191 PHE B O 1 ATOM 4583 C CB . PHE B 1 163 ? 183.050 -74.305 85.959 1.00 33.57 ? 191 PHE B CB 1 ATOM 4584 C CG . PHE B 1 163 ? 184.420 -74.496 86.554 1.00 34.10 ? 191 PHE B CG 1 ATOM 4585 C CD1 . PHE B 1 163 ? 184.573 -74.769 87.900 1.00 34.15 ? 191 PHE B CD1 1 ATOM 4586 C CD2 . PHE B 1 163 ? 185.547 -74.423 85.770 1.00 34.74 ? 191 PHE B CD2 1 ATOM 4587 C CE1 . PHE B 1 163 ? 185.819 -74.966 88.449 1.00 34.82 ? 191 PHE B CE1 1 ATOM 4588 C CE2 . PHE B 1 163 ? 186.798 -74.621 86.322 1.00 35.37 ? 191 PHE B CE2 1 ATOM 4589 C CZ . PHE B 1 163 ? 186.931 -74.895 87.663 1.00 35.40 ? 191 PHE B CZ 1 ATOM 4590 N N . LYS B 1 164 ? 183.105 -75.689 83.155 1.00 35.12 ? 192 LYS B N 1 ATOM 4591 C CA . LYS B 1 164 ? 183.894 -76.154 82.026 1.00 38.04 ? 192 LYS B CA 1 ATOM 4592 C C . LYS B 1 164 ? 185.062 -75.210 81.789 1.00 37.27 ? 192 LYS B C 1 ATOM 4593 O O . LYS B 1 164 ? 184.880 -73.990 81.666 1.00 35.78 ? 192 LYS B O 1 ATOM 4594 C CB . LYS B 1 164 ? 183.040 -76.281 80.763 1.00 44.53 ? 192 LYS B CB 1 ATOM 4595 C CG . LYS B 1 164 ? 183.748 -77.034 79.640 1.00 56.75 ? 192 LYS B CG 1 ATOM 4596 C CD . LYS B 1 164 ? 182.901 -77.109 78.372 1.00 69.78 ? 192 LYS B CD 1 ATOM 4597 C CE . LYS B 1 164 ? 181.624 -77.893 78.578 1.00 71.61 ? 192 LYS B CE 1 ATOM 4598 N NZ . LYS B 1 164 ? 180.617 -77.556 77.530 1.00 81.47 ? 192 LYS B NZ 1 ATOM 4599 N N . TYR B 1 165 ? 186.259 -75.779 81.722 1.00 37.25 ? 193 TYR B N 1 ATOM 4600 C CA . TYR B 1 165 ? 187.436 -75.016 81.365 1.00 37.78 ? 193 TYR B CA 1 ATOM 4601 C C . TYR B 1 165 ? 188.262 -75.812 80.378 1.00 42.14 ? 193 TYR B C 1 ATOM 4602 O O . TYR B 1 165 ? 188.585 -76.974 80.637 1.00 49.29 ? 193 TYR B O 1 ATOM 4603 C CB . TYR B 1 165 ? 188.292 -74.672 82.587 1.00 37.52 ? 193 TYR B CB 1 ATOM 4604 C CG . TYR B 1 165 ? 189.643 -74.125 82.185 1.00 38.27 ? 193 TYR B CG 1 ATOM 4605 C CD1 . TYR B 1 165 ? 189.802 -72.786 81.871 1.00 37.76 ? 193 TYR B CD1 1 ATOM 4606 C CD2 . TYR B 1 165 ? 190.746 -74.957 82.107 1.00 39.59 ? 193 TYR B CD2 1 ATOM 4607 C CE1 . TYR B 1 165 ? 191.043 -72.285 81.491 1.00 38.47 ? 193 TYR B CE1 1 ATOM 4608 C CE2 . TYR B 1 165 ? 191.980 -74.480 81.737 1.00 42.01 ? 193 TYR B CE2 1 ATOM 4609 C CZ . TYR B 1 165 ? 192.128 -73.144 81.432 1.00 41.82 ? 193 TYR B CZ 1 ATOM 4610 O OH . TYR B 1 165 ? 193.362 -72.694 81.054 1.00 45.49 ? 193 TYR B OH 1 ATOM 4611 N N . ASP B 1 166 ? 188.639 -75.160 79.279 1.00 39.91 ? 194 ASP B N 1 ATOM 4612 C CA . ASP B 1 166 ? 189.425 -75.766 78.200 1.00 51.10 ? 194 ASP B CA 1 ATOM 4613 C C . ASP B 1 166 ? 188.859 -77.132 77.808 1.00 59.20 ? 194 ASP B C 1 ATOM 4614 O O . ASP B 1 166 ? 189.579 -78.126 77.680 1.00 67.07 ? 194 ASP B O 1 ATOM 4615 C CB . ASP B 1 166 ? 190.901 -75.861 78.586 1.00 52.61 ? 194 ASP B CB 1 ATOM 4616 C CG . ASP B 1 166 ? 191.784 -76.182 77.406 1.00 60.50 ? 194 ASP B CG 1 ATOM 4617 O OD1 . ASP B 1 166 ? 191.411 -75.778 76.286 1.00 64.60 ? 194 ASP B OD1 1 ATOM 4618 O OD2 . ASP B 1 166 ? 192.837 -76.832 77.596 1.00 64.17 ? 194 ASP B OD2 1 ATOM 4619 N N . ASN B 1 167 ? 187.537 -77.166 77.638 1.00 50.53 ? 195 ASN B N 1 ATOM 4620 C CA . ASN B 1 167 ? 186.788 -78.355 77.206 1.00 58.41 ? 195 ASN B CA 1 ATOM 4621 C C . ASN B 1 167 ? 186.992 -79.541 78.139 1.00 59.05 ? 195 ASN B C 1 ATOM 4622 O O . ASN B 1 167 ? 186.973 -80.697 77.708 1.00 65.58 ? 195 ASN B O 1 ATOM 4623 C CB . ASN B 1 167 ? 187.132 -78.728 75.765 1.00 69.68 ? 195 ASN B CB 1 ATOM 4624 C CG . ASN B 1 167 ? 186.698 -77.662 74.787 1.00 78.45 ? 195 ASN B CG 1 ATOM 4625 O OD1 . ASN B 1 167 ? 185.538 -77.238 74.791 1.00 79.94 ? 195 ASN B OD1 1 ATOM 4626 N ND2 . ASN B 1 167 ? 187.633 -77.190 73.967 1.00 79.13 ? 195 ASN B ND2 1 ATOM 4627 N N . GLN B 1 168 ? 187.187 -79.262 79.424 1.00 56.79 ? 196 GLN B N 1 ATOM 4628 C CA . GLN B 1 168 ? 187.117 -80.283 80.455 1.00 54.63 ? 196 GLN B CA 1 ATOM 4629 C C . GLN B 1 168 ? 186.186 -79.785 81.547 1.00 49.65 ? 196 GLN B C 1 ATOM 4630 O O . GLN B 1 168 ? 186.110 -78.580 81.814 1.00 52.43 ? 196 GLN B O 1 ATOM 4631 C CB . GLN B 1 168 ? 188.496 -80.621 81.028 1.00 54.61 ? 196 GLN B CB 1 ATOM 4632 C CG . GLN B 1 168 ? 189.489 -81.085 79.973 1.00 71.56 ? 196 GLN B CG 1 ATOM 4633 C CD . GLN B 1 168 ? 190.869 -81.368 80.535 1.00 85.46 ? 196 GLN B CD 1 ATOM 4634 O OE1 . GLN B 1 168 ? 191.180 -81.008 81.672 1.00 82.67 ? 196 GLN B OE1 1 ATOM 4635 N NE2 . GLN B 1 168 ? 191.710 -82.015 79.733 1.00 98.27 ? 196 GLN B NE2 1 ATOM 4636 N N . TRP B 1 169 ? 185.457 -80.719 82.152 1.00 55.04 ? 197 TRP B N 1 ATOM 4637 C CA . TRP B 1 169 ? 184.591 -80.419 83.279 1.00 41.29 ? 197 TRP B CA 1 ATOM 4638 C C . TRP B 1 169 ? 185.371 -80.546 84.574 1.00 46.03 ? 197 TRP B C 1 ATOM 4639 O O . TRP B 1 169 ? 186.143 -81.493 84.756 1.00 56.57 ? 197 TRP B O 1 ATOM 4640 C CB . TRP B 1 169 ? 183.388 -81.358 83.317 1.00 42.54 ? 197 TRP B CB 1 ATOM 4641 C CG . TRP B 1 169 ? 182.322 -80.955 82.386 1.00 41.56 ? 197 TRP B CG 1 ATOM 4642 C CD1 . TRP B 1 169 ? 182.051 -81.496 81.164 1.00 45.15 ? 197 TRP B CD1 1 ATOM 4643 C CD2 . TRP B 1 169 ? 181.393 -79.888 82.572 1.00 38.35 ? 197 TRP B CD2 1 ATOM 4644 N NE1 . TRP B 1 169 ? 181.004 -80.832 80.581 1.00 43.57 ? 197 TRP B NE1 1 ATOM 4645 C CE2 . TRP B 1 169 ? 180.578 -79.841 81.425 1.00 38.93 ? 197 TRP B CE2 1 ATOM 4646 C CE3 . TRP B 1 169 ? 181.171 -78.962 83.602 1.00 36.49 ? 197 TRP B CE3 1 ATOM 4647 C CZ2 . TRP B 1 169 ? 179.546 -78.924 81.281 1.00 37.44 ? 197 TRP B CZ2 1 ATOM 4648 C CZ3 . TRP B 1 169 ? 180.141 -78.031 83.454 1.00 35.13 ? 197 TRP B CZ3 1 ATOM 4649 C CH2 . TRP B 1 169 ? 179.337 -78.029 82.303 1.00 35.79 ? 197 TRP B CH2 1 ATOM 4650 N N . PHE B 1 170 ? 185.156 -79.591 85.476 1.00 40.84 ? 198 PHE B N 1 ATOM 4651 C CA . PHE B 1 170 ? 185.817 -79.569 86.771 1.00 45.27 ? 198 PHE B CA 1 ATOM 4652 C C . PHE B 1 170 ? 184.744 -79.620 87.840 1.00 38.26 ? 198 PHE B C 1 ATOM 4653 O O . PHE B 1 170 ? 183.753 -78.892 87.753 1.00 36.05 ? 198 PHE B O 1 ATOM 4654 C CB . PHE B 1 170 ? 186.714 -78.319 86.919 1.00 39.61 ? 198 PHE B CB 1 ATOM 4655 C CG . PHE B 1 170 ? 187.951 -78.387 86.079 1.00 38.80 ? 198 PHE B CG 1 ATOM 4656 C CD1 . PHE B 1 170 ? 189.099 -78.988 86.564 1.00 40.79 ? 198 PHE B CD1 1 ATOM 4657 C CD2 . PHE B 1 170 ? 187.948 -77.912 84.780 1.00 38.71 ? 198 PHE B CD2 1 ATOM 4658 C CE1 . PHE B 1 170 ? 190.237 -79.080 85.786 1.00 44.00 ? 198 PHE B CE1 1 ATOM 4659 C CE2 . PHE B 1 170 ? 189.090 -77.997 83.994 1.00 40.51 ? 198 PHE B CE2 1 ATOM 4660 C CZ . PHE B 1 170 ? 190.234 -78.581 84.504 1.00 43.62 ? 198 PHE B CZ 1 ATOM 4661 N N . HIS B 1 171 ? 184.896 -80.544 88.786 1.00 37.87 ? 199 HIS B N 1 ATOM 4662 C CA . HIS B 1 171 ? 183.964 -80.711 89.896 1.00 37.58 ? 199 HIS B CA 1 ATOM 4663 C C . HIS B 1 171 ? 184.456 -80.049 91.172 1.00 37.79 ? 199 HIS B C 1 ATOM 4664 O O . HIS B 1 171 ? 183.907 -80.316 92.248 1.00 41.86 ? 199 HIS B O 1 ATOM 4665 C CB . HIS B 1 171 ? 183.653 -82.189 90.135 1.00 39.30 ? 199 HIS B CB 1 ATOM 4666 C CG . HIS B 1 171 ? 184.866 -83.039 90.278 1.00 41.85 ? 199 HIS B CG 1 ATOM 4667 N ND1 . HIS B 1 171 ? 185.543 -83.550 89.191 1.00 43.19 ? 199 HIS B ND1 1 ATOM 4668 C CD2 . HIS B 1 171 ? 185.531 -83.462 91.378 1.00 43.64 ? 199 HIS B CD2 1 ATOM 4669 C CE1 . HIS B 1 171 ? 186.578 -84.248 89.619 1.00 47.64 ? 199 HIS B CE1 1 ATOM 4670 N NE2 . HIS B 1 171 ? 186.598 -84.203 90.940 1.00 48.32 ? 199 HIS B NE2 1 ATOM 4671 N N . GLY B 1 172 ? 185.524 -79.268 91.088 1.00 44.91 ? 200 GLY B N 1 ATOM 4672 C CA . GLY B 1 172 ? 185.970 -78.474 92.209 1.00 39.39 ? 200 GLY B CA 1 ATOM 4673 C C . GLY B 1 172 ? 187.052 -77.504 91.775 1.00 38.34 ? 200 GLY B C 1 ATOM 4674 O O . GLY B 1 172 ? 187.314 -77.325 90.585 1.00 38.73 ? 200 GLY B O 1 ATOM 4675 N N . CYS B 1 173 ? 187.666 -76.860 92.760 1.00 37.77 ? 201 CYS B N 1 ATOM 4676 C CA . CYS B 1 173 ? 188.746 -75.942 92.462 1.00 37.56 ? 201 CYS B CA 1 ATOM 4677 C C . CYS B 1 173 ? 189.922 -76.705 91.866 1.00 42.51 ? 201 CYS B C 1 ATOM 4678 O O . CYS B 1 173 ? 190.128 -77.883 92.151 1.00 45.60 ? 201 CYS B O 1 ATOM 4679 C CB . CYS B 1 173 ? 189.146 -75.191 93.733 1.00 40.16 ? 201 CYS B CB 1 ATOM 4680 S SG . CYS B 1 173 ? 187.745 -74.233 94.416 1.00 44.65 ? 201 CYS B SG 1 ATOM 4681 N N . THR B 1 174 ? 190.694 -76.019 91.027 1.00 38.65 ? 202 THR B N 1 ATOM 4682 C CA . THR B 1 174 ? 191.776 -76.636 90.268 1.00 39.93 ? 202 THR B CA 1 ATOM 4683 C C . THR B 1 174 ? 192.885 -75.602 90.074 1.00 39.80 ? 202 THR B C 1 ATOM 4684 O O . THR B 1 174 ? 192.635 -74.393 90.121 1.00 38.47 ? 202 THR B O 1 ATOM 4685 C CB . THR B 1 174 ? 191.270 -77.143 88.910 1.00 39.94 ? 202 THR B CB 1 ATOM 4686 O OG1 . THR B 1 174 ? 192.376 -77.482 88.085 1.00 41.16 ? 202 THR B OG1 1 ATOM 4687 C CG2 . THR B 1 174 ? 190.500 -76.051 88.199 1.00 38.45 ? 202 THR B CG2 1 ATOM 4688 N N . SER B 1 175 ? 194.117 -76.082 89.894 1.00 41.27 ? 203 SER B N 1 ATOM 4689 C CA . SER B 1 175 ? 195.223 -75.213 89.528 1.00 41.33 ? 203 SER B CA 1 ATOM 4690 C C . SER B 1 175 ? 195.492 -75.233 88.036 1.00 41.71 ? 203 SER B C 1 ATOM 4691 O O . SER B 1 175 ? 196.347 -74.481 87.562 1.00 41.79 ? 203 SER B O 1 ATOM 4692 C CB . SER B 1 175 ? 196.492 -75.582 90.303 1.00 42.84 ? 203 SER B CB 1 ATOM 4693 O OG . SER B 1 175 ? 197.244 -76.594 89.652 1.00 44.69 ? 203 SER B OG 1 ATOM 4694 N N . THR B 1 176 ? 194.760 -76.055 87.298 1.00 41.99 ? 204 THR B N 1 ATOM 4695 C CA . THR B 1 176 ? 194.874 -76.143 85.850 1.00 42.48 ? 204 THR B CA 1 ATOM 4696 C C . THR B 1 176 ? 194.518 -74.818 85.201 1.00 41.16 ? 204 THR B C 1 ATOM 4697 O O . THR B 1 176 ? 193.466 -74.243 85.488 1.00 39.70 ? 204 THR B O 1 ATOM 4698 C CB . THR B 1 176 ? 193.932 -77.242 85.331 1.00 42.75 ? 204 THR B CB 1 ATOM 4699 O OG1 . THR B 1 176 ? 194.439 -78.530 85.712 1.00 47.57 ? 204 THR B OG1 1 ATOM 4700 C CG2 . THR B 1 176 ? 193.781 -77.164 83.816 1.00 43.01 ? 204 THR B CG2 1 ATOM 4701 N N . GLY B 1 177 ? 195.373 -74.357 84.297 1.00 50.03 ? 205 GLY B N 1 ATOM 4702 C CA . GLY B 1 177 ? 195.200 -73.065 83.669 1.00 42.88 ? 205 GLY B CA 1 ATOM 4703 C C . GLY B 1 177 ? 196.005 -71.959 84.300 1.00 41.75 ? 205 GLY B C 1 ATOM 4704 O O . GLY B 1 177 ? 196.059 -70.850 83.745 1.00 39.59 ? 205 GLY B O 1 ATOM 4705 N N . ARG B 1 178 ? 196.624 -72.220 85.447 1.00 40.45 ? 206 ARG B N 1 ATOM 4706 C CA . ARG B 1 178 ? 197.511 -71.273 86.097 1.00 39.99 ? 206 ARG B CA 1 ATOM 4707 C C . ARG B 1 178 ? 198.858 -71.942 86.293 1.00 41.75 ? 206 ARG B C 1 ATOM 4708 O O . ARG B 1 178 ? 198.954 -73.173 86.304 1.00 43.15 ? 206 ARG B O 1 ATOM 4709 C CB . ARG B 1 178 ? 196.961 -70.808 87.443 1.00 38.61 ? 206 ARG B CB 1 ATOM 4710 C CG . ARG B 1 178 ? 195.519 -70.313 87.412 1.00 37.09 ? 206 ARG B CG 1 ATOM 4711 C CD . ARG B 1 178 ? 195.210 -69.568 88.693 1.00 35.82 ? 206 ARG B CD 1 ATOM 4712 N NE . ARG B 1 178 ? 196.208 -68.519 88.929 1.00 35.37 ? 206 ARG B NE 1 ATOM 4713 C CZ . ARG B 1 178 ? 196.119 -67.273 88.459 1.00 34.25 ? 206 ARG B CZ 1 ATOM 4714 N NH1 . ARG B 1 178 ? 195.065 -66.904 87.743 1.00 33.58 ? 206 ARG B NH1 1 ATOM 4715 N NH2 . ARG B 1 178 ? 197.088 -66.389 88.711 1.00 33.86 ? 206 ARG B NH2 1 ATOM 4716 N N . GLU B 1 179 ? 199.908 -71.121 86.375 1.00 41.78 ? 207 GLU B N 1 ATOM 4717 C CA . GLU B 1 179 ? 201.246 -71.606 86.671 1.00 43.46 ? 207 GLU B CA 1 ATOM 4718 C C . GLU B 1 179 ? 201.677 -71.386 88.112 1.00 43.12 ? 207 GLU B C 1 ATOM 4719 O O . GLU B 1 179 ? 202.749 -71.865 88.494 1.00 44.68 ? 207 GLU B O 1 ATOM 4720 C CB . GLU B 1 179 ? 202.258 -70.921 85.745 1.00 50.57 ? 207 GLU B CB 1 ATOM 4721 C CG . GLU B 1 179 ? 201.741 -70.708 84.319 1.00 71.00 ? 207 GLU B CG 1 ATOM 4722 C CD . GLU B 1 179 ? 201.398 -72.007 83.615 1.00 94.77 ? 207 GLU B CD 1 ATOM 4723 O OE1 . GLU B 1 179 ? 202.118 -73.008 83.824 1.00 105.07 ? 207 GLU B OE1 1 ATOM 4724 O OE2 . GLU B 1 179 ? 200.403 -72.028 82.855 1.00 101.44 ? 207 GLU B OE2 1 ATOM 4725 N N . ASP B 1 180 ? 200.895 -70.669 88.910 1.00 41.31 ? 208 ASP B N 1 ATOM 4726 C CA . ASP B 1 180 ? 201.338 -70.224 90.224 1.00 40.87 ? 208 ASP B CA 1 ATOM 4727 C C . ASP B 1 180 ? 200.832 -71.097 91.368 1.00 41.38 ? 208 ASP B C 1 ATOM 4728 O O . ASP B 1 180 ? 201.067 -70.763 92.537 1.00 41.11 ? 208 ASP B O 1 ATOM 4729 C CB . ASP B 1 180 ? 200.936 -68.751 90.465 1.00 38.66 ? 208 ASP B CB 1 ATOM 4730 C CG . ASP B 1 180 ? 199.433 -68.498 90.332 1.00 37.22 ? 208 ASP B CG 1 ATOM 4731 O OD1 . ASP B 1 180 ? 198.627 -69.454 90.239 1.00 37.74 ? 208 ASP B OD1 1 ATOM 4732 O OD2 . ASP B 1 180 ? 199.054 -67.291 90.357 1.00 35.57 ? 208 ASP B OD2 1 ATOM 4733 N N . GLY B 1 181 ? 200.115 -72.176 91.068 1.00 42.26 ? 209 GLY B N 1 ATOM 4734 C CA . GLY B 1 181 ? 199.581 -73.049 92.091 1.00 47.16 ? 209 GLY B CA 1 ATOM 4735 C C . GLY B 1 181 ? 198.271 -72.620 92.723 1.00 44.48 ? 209 GLY B C 1 ATOM 4736 O O . GLY B 1 181 ? 197.620 -73.451 93.367 1.00 54.61 ? 209 GLY B O 1 ATOM 4737 N N . HIS B 1 182 ? 197.850 -71.361 92.568 1.00 41.76 ? 210 HIS B N 1 ATOM 4738 C CA . HIS B 1 182 ? 196.676 -70.890 93.291 1.00 38.21 ? 210 HIS B CA 1 ATOM 4739 C C . HIS B 1 182 ? 195.405 -71.510 92.715 1.00 37.98 ? 210 HIS B C 1 ATOM 4740 O O . HIS B 1 182 ? 195.107 -71.367 91.523 1.00 41.94 ? 210 HIS B O 1 ATOM 4741 C CB . HIS B 1 182 ? 196.612 -69.365 93.265 1.00 39.16 ? 210 HIS B CB 1 ATOM 4742 C CG . HIS B 1 182 ? 197.741 -68.705 93.995 1.00 46.15 ? 210 HIS B CG 1 ATOM 4743 N ND1 . HIS B 1 182 ? 198.405 -67.596 93.506 1.00 44.70 ? 210 HIS B ND1 1 ATOM 4744 C CD2 . HIS B 1 182 ? 198.324 -68.999 95.180 1.00 50.21 ? 210 HIS B CD2 1 ATOM 4745 C CE1 . HIS B 1 182 ? 199.346 -67.231 94.362 1.00 37.91 ? 210 HIS B CE1 1 ATOM 4746 N NE2 . HIS B 1 182 ? 199.315 -68.064 95.388 1.00 50.88 ? 210 HIS B NE2 1 ATOM 4747 N N . LEU B 1 183 ? 194.660 -72.201 93.570 1.00 37.93 ? 211 LEU B N 1 ATOM 4748 C CA . LEU B 1 183 ? 193.448 -72.891 93.156 1.00 37.79 ? 211 LEU B CA 1 ATOM 4749 C C . LEU B 1 183 ? 192.365 -71.882 92.802 1.00 36.04 ? 211 LEU B C 1 ATOM 4750 O O . LEU B 1 183 ? 192.169 -70.892 93.508 1.00 35.06 ? 211 LEU B O 1 ATOM 4751 C CB . LEU B 1 183 ? 192.975 -73.807 94.280 1.00 38.68 ? 211 LEU B CB 1 ATOM 4752 C CG . LEU B 1 183 ? 193.918 -74.946 94.725 1.00 40.73 ? 211 LEU B CG 1 ATOM 4753 C CD1 . LEU B 1 183 ? 193.528 -75.502 96.124 1.00 41.61 ? 211 LEU B CD1 1 ATOM 4754 C CD2 . LEU B 1 183 ? 193.977 -76.087 93.667 1.00 41.74 ? 211 LEU B CD2 1 ATOM 4755 N N . TRP B 1 184 ? 191.658 -72.133 91.704 1.00 35.78 ? 212 TRP B N 1 ATOM 4756 C CA . TRP B 1 184 ? 190.666 -71.204 91.196 1.00 34.40 ? 212 TRP B CA 1 ATOM 4757 C C . TRP B 1 184 ? 189.458 -71.979 90.697 1.00 34.44 ? 212 TRP B C 1 ATOM 4758 O O . TRP B 1 184 ? 189.506 -73.194 90.514 1.00 35.44 ? 212 TRP B O 1 ATOM 4759 C CB . TRP B 1 184 ? 191.240 -70.326 90.071 1.00 34.00 ? 212 TRP B CB 1 ATOM 4760 C CG . TRP B 1 184 ? 191.483 -71.079 88.824 1.00 34.92 ? 212 TRP B CG 1 ATOM 4761 C CD1 . TRP B 1 184 ? 192.551 -71.851 88.547 1.00 36.25 ? 212 TRP B CD1 1 ATOM 4762 C CD2 . TRP B 1 184 ? 190.636 -71.128 87.672 1.00 34.74 ? 212 TRP B CD2 1 ATOM 4763 N NE1 . TRP B 1 184 ? 192.439 -72.388 87.287 1.00 36.90 ? 212 TRP B NE1 1 ATOM 4764 C CE2 . TRP B 1 184 ? 191.269 -71.959 86.726 1.00 35.97 ? 212 TRP B CE2 1 ATOM 4765 C CE3 . TRP B 1 184 ? 189.410 -70.540 87.343 1.00 33.79 ? 212 TRP B CE3 1 ATOM 4766 C CZ2 . TRP B 1 184 ? 190.704 -72.253 85.481 1.00 36.26 ? 212 TRP B CZ2 1 ATOM 4767 C CZ3 . TRP B 1 184 ? 188.854 -70.820 86.097 1.00 34.10 ? 212 TRP B CZ3 1 ATOM 4768 C CH2 . TRP B 1 184 ? 189.502 -71.676 85.185 1.00 35.30 ? 212 TRP B CH2 1 ATOM 4769 N N . CYS B 1 185 ? 188.362 -71.261 90.477 1.00 34.60 ? 213 CYS B N 1 ATOM 4770 C CA . CYS B 1 185 ? 187.169 -71.858 89.897 1.00 35.26 ? 213 CYS B CA 1 ATOM 4771 C C . CYS B 1 185 ? 186.484 -70.838 88.996 1.00 32.97 ? 213 CYS B C 1 ATOM 4772 O O . CYS B 1 185 ? 186.630 -69.629 89.182 1.00 31.75 ? 213 CYS B O 1 ATOM 4773 C CB . CYS B 1 185 ? 186.208 -72.304 90.986 1.00 36.74 ? 213 CYS B CB 1 ATOM 4774 S SG . CYS B 1 185 ? 185.636 -70.866 91.912 1.00 38.57 ? 213 CYS B SG 1 ATOM 4775 N N . ALA B 1 186 ? 185.730 -71.320 88.014 1.00 38.00 ? 214 ALA B N 1 ATOM 4776 C CA . ALA B 1 186 ? 184.908 -70.395 87.244 1.00 33.85 ? 214 ALA B CA 1 ATOM 4777 C C . ALA B 1 186 ? 183.661 -70.027 88.044 1.00 31.40 ? 214 ALA B C 1 ATOM 4778 O O . ALA B 1 186 ? 183.203 -70.789 88.894 1.00 32.49 ? 214 ALA B O 1 ATOM 4779 C CB . ALA B 1 186 ? 184.521 -71.011 85.895 1.00 33.59 ? 214 ALA B CB 1 ATOM 4780 N N . THR B 1 187 ? 183.148 -68.828 87.829 1.00 33.52 ? 215 THR B N 1 ATOM 4781 C CA . THR B 1 187 ? 181.903 -68.439 88.481 1.00 33.46 ? 215 THR B CA 1 ATOM 4782 C C . THR B 1 187 ? 180.694 -68.475 87.555 1.00 37.40 ? 215 THR B C 1 ATOM 4783 O O . THR B 1 187 ? 179.603 -68.085 87.974 1.00 40.09 ? 215 THR B O 1 ATOM 4784 C CB . THR B 1 187 ? 182.050 -67.076 89.141 1.00 32.35 ? 215 THR B CB 1 ATOM 4785 O OG1 . THR B 1 187 ? 182.360 -66.092 88.150 1.00 33.21 ? 215 THR B OG1 1 ATOM 4786 C CG2 . THR B 1 187 ? 183.201 -67.146 90.156 1.00 32.12 ? 215 THR B CG2 1 ATOM 4787 N N . THR B 1 188 ? 180.865 -68.890 86.304 1.00 32.17 ? 216 THR B N 1 ATOM 4788 C CA . THR B 1 188 ? 179.796 -69.505 85.512 1.00 35.33 ? 216 THR B CA 1 ATOM 4789 C C . THR B 1 188 ? 180.256 -70.900 85.112 1.00 46.34 ? 216 THR B C 1 ATOM 4790 O O . THR B 1 188 ? 181.359 -71.331 85.453 1.00 51.85 ? 216 THR B O 1 ATOM 4791 C CB . THR B 1 188 ? 179.438 -68.686 84.264 1.00 38.62 ? 216 THR B CB 1 ATOM 4792 O OG1 . THR B 1 188 ? 180.445 -68.877 83.265 1.00 43.35 ? 216 THR B OG1 1 ATOM 4793 C CG2 . THR B 1 188 ? 179.338 -67.207 84.586 1.00 31.50 ? 216 THR B CG2 1 ATOM 4794 N N . GLN B 1 189 ? 179.406 -71.619 84.384 1.00 35.84 ? 217 GLN B N 1 ATOM 4795 C CA . GLN B 1 189 ? 179.720 -73.012 84.077 1.00 44.50 ? 217 GLN B CA 1 ATOM 4796 C C . GLN B 1 189 ? 180.557 -73.173 82.820 1.00 41.58 ? 217 GLN B C 1 ATOM 4797 O O . GLN B 1 189 ? 181.114 -74.260 82.593 1.00 42.74 ? 217 GLN B O 1 ATOM 4798 C CB . GLN B 1 189 ? 178.442 -73.849 83.956 1.00 48.04 ? 217 GLN B CB 1 ATOM 4799 C CG . GLN B 1 189 ? 177.497 -73.449 82.831 1.00 49.09 ? 217 GLN B CG 1 ATOM 4800 C CD . GLN B 1 189 ? 176.124 -74.110 82.982 1.00 50.42 ? 217 GLN B CD 1 ATOM 4801 O OE1 . GLN B 1 189 ? 176.004 -75.215 83.525 1.00 55.84 ? 217 GLN B OE1 1 ATOM 4802 N NE2 . GLN B 1 189 ? 175.085 -73.421 82.529 1.00 44.63 ? 217 GLN B NE2 1 ATOM 4803 N N . ASP B 1 190 ? 180.673 -72.129 82.006 1.00 40.51 ? 218 ASP B N 1 ATOM 4804 C CA . ASP B 1 190 ? 181.573 -72.148 80.863 1.00 37.80 ? 218 ASP B CA 1 ATOM 4805 C C . ASP B 1 190 ? 182.557 -70.987 80.996 1.00 35.03 ? 218 ASP B C 1 ATOM 4806 O O . ASP B 1 190 ? 182.207 -69.831 80.730 1.00 41.24 ? 218 ASP B O 1 ATOM 4807 C CB . ASP B 1 190 ? 180.764 -72.074 79.568 1.00 45.36 ? 218 ASP B CB 1 ATOM 4808 C CG . ASP B 1 190 ? 181.618 -72.202 78.339 1.00 59.08 ? 218 ASP B CG 1 ATOM 4809 O OD1 . ASP B 1 190 ? 182.822 -72.530 78.463 1.00 68.45 ? 218 ASP B OD1 1 ATOM 4810 O OD2 . ASP B 1 190 ? 181.066 -71.983 77.245 1.00 66.77 ? 218 ASP B OD2 1 ATOM 4811 N N . TYR B 1 191 ? 183.808 -71.302 81.328 1.00 35.24 ? 219 TYR B N 1 ATOM 4812 C CA . TYR B 1 191 ? 184.809 -70.249 81.459 1.00 34.84 ? 219 TYR B CA 1 ATOM 4813 C C . TYR B 1 191 ? 185.199 -69.681 80.101 1.00 45.76 ? 219 TYR B C 1 ATOM 4814 O O . TYR B 1 191 ? 185.448 -68.476 79.982 1.00 46.93 ? 219 TYR B O 1 ATOM 4815 C CB . TYR B 1 191 ? 186.041 -70.774 82.191 1.00 34.76 ? 219 TYR B CB 1 ATOM 4816 C CG . TYR B 1 191 ? 187.147 -69.746 82.324 1.00 34.60 ? 219 TYR B CG 1 ATOM 4817 C CD1 . TYR B 1 191 ? 187.071 -68.727 83.273 1.00 33.54 ? 219 TYR B CD1 1 ATOM 4818 C CD2 . TYR B 1 191 ? 188.262 -69.798 81.505 1.00 35.92 ? 219 TYR B CD2 1 ATOM 4819 C CE1 . TYR B 1 191 ? 188.075 -67.783 83.392 1.00 33.35 ? 219 TYR B CE1 1 ATOM 4820 C CE2 . TYR B 1 191 ? 189.272 -68.877 81.621 1.00 44.57 ? 219 TYR B CE2 1 ATOM 4821 C CZ . TYR B 1 191 ? 189.175 -67.868 82.562 1.00 39.76 ? 219 TYR B CZ 1 ATOM 4822 O OH . TYR B 1 191 ? 190.187 -66.955 82.658 1.00 39.33 ? 219 TYR B OH 1 ATOM 4823 N N . GLY B 1 192 ? 185.269 -70.531 79.066 1.00 41.58 ? 220 GLY B N 1 ATOM 4824 C CA . GLY B 1 192 ? 185.583 -70.033 77.732 1.00 40.34 ? 220 GLY B CA 1 ATOM 4825 C C . GLY B 1 192 ? 184.619 -68.954 77.275 1.00 43.87 ? 220 GLY B C 1 ATOM 4826 O O . GLY B 1 192 ? 185.030 -67.936 76.722 1.00 44.62 ? 220 GLY B O 1 ATOM 4827 N N . LYS B 1 193 ? 183.321 -69.172 77.485 1.00 44.47 ? 221 LYS B N 1 ATOM 4828 C CA . LYS B 1 193 ? 182.319 -68.148 77.227 1.00 50.25 ? 221 LYS B CA 1 ATOM 4829 C C . LYS B 1 193 ? 182.508 -66.901 78.090 1.00 49.69 ? 221 LYS B C 1 ATOM 4830 O O . LYS B 1 193 ? 182.738 -65.811 77.562 1.00 48.05 ? 221 LYS B O 1 ATOM 4831 C CB . LYS B 1 193 ? 180.910 -68.711 77.432 1.00 51.63 ? 221 LYS B CB 1 ATOM 4832 C CG . LYS B 1 193 ? 179.823 -67.916 76.713 1.00 54.00 ? 221 LYS B CG 1 ATOM 4833 C CD . LYS B 1 193 ? 178.497 -68.675 76.626 1.00 54.85 ? 221 LYS B CD 1 ATOM 4834 C CE . LYS B 1 193 ? 177.603 -68.445 77.848 1.00 59.66 ? 221 LYS B CE 1 ATOM 4835 N NZ . LYS B 1 193 ? 177.139 -67.022 77.972 1.00 67.41 ? 221 LYS B NZ 1 ATOM 4836 N N . ASP B 1 194 ? 182.339 -67.022 79.410 1.00 53.16 ? 222 ASP B N 1 ATOM 4837 C CA . ASP B 1 194 ? 182.220 -65.829 80.242 1.00 44.03 ? 222 ASP B CA 1 ATOM 4838 C C . ASP B 1 194 ? 183.521 -65.330 80.876 1.00 41.01 ? 222 ASP B C 1 ATOM 4839 O O . ASP B 1 194 ? 183.594 -64.143 81.228 1.00 39.40 ? 222 ASP B O 1 ATOM 4840 C CB . ASP B 1 194 ? 181.168 -66.091 81.311 1.00 49.66 ? 222 ASP B CB 1 ATOM 4841 C CG . ASP B 1 194 ? 179.866 -66.634 80.713 1.00 60.85 ? 222 ASP B CG 1 ATOM 4842 O OD1 . ASP B 1 194 ? 179.208 -65.910 79.937 1.00 71.43 ? 222 ASP B OD1 1 ATOM 4843 O OD2 . ASP B 1 194 ? 179.505 -67.787 81.002 1.00 51.92 ? 222 ASP B OD2 1 ATOM 4844 N N . GLU B 1 195 ? 184.567 -66.158 80.967 1.00 46.73 ? 223 GLU B N 1 ATOM 4845 C CA . GLU B 1 195 ? 185.842 -65.760 81.581 1.00 39.71 ? 223 GLU B CA 1 ATOM 4846 C C . GLU B 1 195 ? 185.653 -65.124 82.962 1.00 32.02 ? 223 GLU B C 1 ATOM 4847 O O . GLU B 1 195 ? 186.331 -64.155 83.329 1.00 31.40 ? 223 GLU B O 1 ATOM 4848 C CB . GLU B 1 195 ? 186.616 -64.811 80.664 1.00 45.25 ? 223 GLU B CB 1 ATOM 4849 C CG . GLU B 1 195 ? 186.738 -65.285 79.227 1.00 62.73 ? 223 GLU B CG 1 ATOM 4850 C CD . GLU B 1 195 ? 187.630 -64.393 78.387 1.00 79.85 ? 223 GLU B CD 1 ATOM 4851 O OE1 . GLU B 1 195 ? 187.465 -63.152 78.434 1.00 84.08 ? 223 GLU B OE1 1 ATOM 4852 O OE2 . GLU B 1 195 ? 188.507 -64.938 77.686 1.00 88.95 ? 223 GLU B OE2 1 ATOM 4853 N N . ARG B 1 196 ? 184.719 -65.658 83.734 1.00 31.50 ? 224 ARG B N 1 ATOM 4854 C CA . ARG B 1 196 ? 184.436 -65.161 85.071 1.00 30.53 ? 224 ARG B CA 1 ATOM 4855 C C . ARG B 1 196 ? 184.964 -66.168 86.080 1.00 30.49 ? 224 ARG B C 1 ATOM 4856 O O . ARG B 1 196 ? 184.686 -67.369 85.984 1.00 33.72 ? 224 ARG B O 1 ATOM 4857 C CB . ARG B 1 196 ? 182.939 -64.933 85.264 1.00 37.86 ? 224 ARG B CB 1 ATOM 4858 C CG . ARG B 1 196 ? 182.394 -63.798 84.415 1.00 43.40 ? 224 ARG B CG 1 ATOM 4859 C CD . ARG B 1 196 ? 182.888 -62.454 84.921 1.00 41.23 ? 224 ARG B CD 1 ATOM 4860 N NE . ARG B 1 196 ? 182.703 -61.404 83.924 1.00 60.69 ? 224 ARG B NE 1 ATOM 4861 C CZ . ARG B 1 196 ? 183.126 -60.147 84.053 1.00 60.93 ? 224 ARG B CZ 1 ATOM 4862 N NH1 . ARG B 1 196 ? 183.772 -59.756 85.152 1.00 48.37 ? 224 ARG B NH1 1 ATOM 4863 N NH2 . ARG B 1 196 ? 182.903 -59.279 83.075 1.00 62.95 ? 224 ARG B NH2 1 ATOM 4864 N N . TRP B 1 197 ? 185.747 -65.687 87.030 1.00 29.97 ? 225 TRP B N 1 ATOM 4865 C CA . TRP B 1 197 ? 186.529 -66.590 87.851 1.00 30.26 ? 225 TRP B CA 1 ATOM 4866 C C . TRP B 1 197 ? 186.898 -65.892 89.141 1.00 29.56 ? 225 TRP B C 1 ATOM 4867 O O . TRP B 1 197 ? 186.603 -64.704 89.349 1.00 28.78 ? 225 TRP B O 1 ATOM 4868 C CB . TRP B 1 197 ? 187.794 -67.024 87.131 1.00 31.04 ? 225 TRP B CB 1 ATOM 4869 C CG . TRP B 1 197 ? 188.777 -65.901 86.988 1.00 30.68 ? 225 TRP B CG 1 ATOM 4870 C CD1 . TRP B 1 197 ? 188.727 -64.885 86.085 1.00 30.49 ? 225 TRP B CD1 1 ATOM 4871 C CD2 . TRP B 1 197 ? 189.967 -65.686 87.768 1.00 30.55 ? 225 TRP B CD2 1 ATOM 4872 N NE1 . TRP B 1 197 ? 189.814 -64.063 86.231 1.00 30.17 ? 225 TRP B NE1 1 ATOM 4873 C CE2 . TRP B 1 197 ? 190.589 -64.520 87.263 1.00 30.14 ? 225 TRP B CE2 1 ATOM 4874 C CE3 . TRP B 1 197 ? 190.575 -66.373 88.824 1.00 30.86 ? 225 TRP B CE3 1 ATOM 4875 C CZ2 . TRP B 1 197 ? 191.798 -64.011 87.788 1.00 29.88 ? 225 TRP B CZ2 1 ATOM 4876 C CZ3 . TRP B 1 197 ? 191.782 -65.867 89.356 1.00 30.73 ? 225 TRP B CZ3 1 ATOM 4877 C CH2 . TRP B 1 197 ? 192.372 -64.688 88.837 1.00 30.16 ? 225 TRP B CH2 1 ATOM 4878 N N . GLY B 1 198 ? 187.590 -66.652 89.977 1.00 29.98 ? 226 GLY B N 1 ATOM 4879 C CA . GLY B 1 198 ? 188.094 -66.166 91.221 1.00 29.57 ? 226 GLY B CA 1 ATOM 4880 C C . GLY B 1 198 ? 188.859 -67.293 91.878 1.00 30.52 ? 226 GLY B C 1 ATOM 4881 O O . GLY B 1 198 ? 188.788 -68.449 91.457 1.00 31.40 ? 226 GLY B O 1 ATOM 4882 N N . PHE B 1 199 ? 189.642 -66.922 92.878 1.00 30.43 ? 227 PHE B N 1 ATOM 4883 C CA . PHE B 1 199 ? 190.446 -67.897 93.586 1.00 31.53 ? 227 PHE B CA 1 ATOM 4884 C C . PHE B 1 199 ? 189.610 -68.609 94.636 1.00 32.01 ? 227 PHE B C 1 ATOM 4885 O O . PHE B 1 199 ? 188.619 -68.073 95.146 1.00 31.35 ? 227 PHE B O 1 ATOM 4886 C CB . PHE B 1 199 ? 191.649 -67.229 94.242 1.00 31.40 ? 227 PHE B CB 1 ATOM 4887 C CG . PHE B 1 199 ? 192.643 -66.666 93.260 1.00 31.19 ? 227 PHE B CG 1 ATOM 4888 C CD1 . PHE B 1 199 ? 193.484 -67.502 92.555 1.00 32.35 ? 227 PHE B CD1 1 ATOM 4889 C CD2 . PHE B 1 199 ? 192.743 -65.286 93.062 1.00 29.94 ? 227 PHE B CD2 1 ATOM 4890 C CE1 . PHE B 1 199 ? 194.410 -66.980 91.675 1.00 32.34 ? 227 PHE B CE1 1 ATOM 4891 C CE2 . PHE B 1 199 ? 193.671 -64.757 92.181 1.00 29.84 ? 227 PHE B CE2 1 ATOM 4892 C CZ . PHE B 1 199 ? 194.510 -65.595 91.485 1.00 31.07 ? 227 PHE B CZ 1 ATOM 4893 N N . CYS B 1 200 ? 190.023 -69.790 94.953 1.00 29.18 ? 228 CYS B N 1 ATOM 4894 C CA . CYS B 1 200 ? 189.360 -70.499 96.023 1.00 31.65 ? 228 CYS B CA 1 ATOM 4895 C C . CYS B 1 200 ? 190.011 -70.181 97.366 1.00 32.72 ? 228 CYS B C 1 ATOM 4896 O O . CYS B 1 200 ? 191.235 -70.118 97.464 1.00 32.64 ? 228 CYS B O 1 ATOM 4897 C CB . CYS B 1 200 ? 189.388 -72.007 95.758 1.00 33.87 ? 228 CYS B CB 1 ATOM 4898 S SG . CYS B 1 200 ? 188.395 -72.343 94.248 1.00 40.52 ? 228 CYS B SG 1 ATOM 4899 N N . PRO B 1 201 ? 189.174 -70.002 98.386 1.00 30.60 ? 229 PRO B N 1 ATOM 4900 C CA . PRO B 1 201 ? 189.689 -69.804 99.739 1.00 32.21 ? 229 PRO B CA 1 ATOM 4901 C C . PRO B 1 201 ? 190.575 -70.959 100.150 1.00 35.22 ? 229 PRO B C 1 ATOM 4902 O O . PRO B 1 201 ? 190.243 -72.131 99.933 1.00 41.01 ? 229 PRO B O 1 ATOM 4903 C CB . PRO B 1 201 ? 188.418 -69.764 100.584 1.00 33.86 ? 229 PRO B CB 1 ATOM 4904 C CG . PRO B 1 201 ? 187.470 -70.729 99.824 1.00 34.42 ? 229 PRO B CG 1 ATOM 4905 C CD . PRO B 1 201 ? 187.729 -70.334 98.390 1.00 31.50 ? 229 PRO B CD 1 ATOM 4906 N N . ILE B 1 202 ? 191.708 -70.629 100.767 1.00 35.45 ? 230 ILE B N 1 ATOM 4907 C CA . ILE B 1 202 ? 192.521 -71.648 101.420 1.00 49.00 ? 230 ILE B CA 1 ATOM 4908 C C . ILE B 1 202 ? 192.643 -71.297 102.895 1.00 55.34 ? 230 ILE B C 1 ATOM 4909 O O . ILE B 1 202 ? 192.494 -70.140 103.291 1.00 48.77 ? 230 ILE B O 1 ATOM 4910 C CB . ILE B 1 202 ? 193.907 -71.806 100.752 1.00 52.75 ? 230 ILE B CB 1 ATOM 4911 C CG1 . ILE B 1 202 ? 194.687 -70.506 100.806 1.00 57.96 ? 230 ILE B CG1 1 ATOM 4912 C CG2 . ILE B 1 202 ? 193.746 -72.225 99.280 1.00 47.29 ? 230 ILE B CG2 1 ATOM 4913 C CD1 . ILE B 1 202 ? 196.113 -70.629 100.298 1.00 65.24 ? 230 ILE B CD1 1 ATOM 4914 N N . LYS B 1 203 ? 192.844 -72.321 103.718 1.00 45.42 ? 231 LYS B N 1 ATOM 4915 C CA . LYS B 1 203 ? 193.158 -72.156 105.130 1.00 49.31 ? 231 LYS B CA 1 ATOM 4916 C C . LYS B 1 203 ? 194.648 -72.409 105.291 1.00 57.63 ? 231 LYS B C 1 ATOM 4917 O O . LYS B 1 203 ? 195.137 -73.485 104.931 1.00 65.28 ? 231 LYS B O 1 ATOM 4918 C CB . LYS B 1 203 ? 192.348 -73.117 106.008 1.00 52.42 ? 231 LYS B CB 1 ATOM 4919 C CG . LYS B 1 203 ? 190.853 -72.850 106.006 1.00 48.93 ? 231 LYS B CG 1 ATOM 4920 C CD . LYS B 1 203 ? 190.049 -74.031 106.563 1.00 58.07 ? 231 LYS B CD 1 ATOM 4921 C CE . LYS B 1 203 ? 188.563 -73.724 106.549 1.00 57.23 ? 231 LYS B CE 1 ATOM 4922 N NZ . LYS B 1 203 ? 187.825 -74.494 107.571 1.00 73.66 ? 231 LYS B NZ 1 ATOM 4923 N N . SER B 1 204 ? 195.372 -71.414 105.791 1.00 54.02 ? 232 SER B N 1 ATOM 4924 C CA . SER B 1 204 ? 196.780 -71.613 106.093 1.00 66.55 ? 232 SER B CA 1 ATOM 4925 C C . SER B 1 204 ? 197.218 -70.549 107.086 1.00 76.64 ? 232 SER B C 1 ATOM 4926 O O . SER B 1 204 ? 196.441 -69.672 107.472 1.00 79.73 ? 232 SER B O 1 ATOM 4927 C CB . SER B 1 204 ? 197.631 -71.578 104.824 1.00 61.12 ? 232 SER B CB 1 ATOM 4928 O OG . SER B 1 204 ? 197.518 -70.332 104.178 1.00 65.91 ? 232 SER B OG 1 ATOM 4929 N N . ASN B 1 205 ? 198.477 -70.643 107.500 1.00 73.20 ? 233 ASN B N 1 ATOM 4930 C CA . ASN B 1 205 ? 199.105 -69.653 108.361 1.00 75.05 ? 233 ASN B CA 1 ATOM 4931 C C . ASN B 1 205 ? 199.875 -68.596 107.579 1.00 64.67 ? 233 ASN B C 1 ATOM 4932 O O . ASN B 1 205 ? 200.484 -67.713 108.191 1.00 58.24 ? 233 ASN B O 1 ATOM 4933 C CB . ASN B 1 205 ? 200.033 -70.352 109.359 1.00 84.06 ? 233 ASN B CB 1 ATOM 4934 C CG . ASN B 1 205 ? 199.298 -71.348 110.223 1.00 99.07 ? 233 ASN B CG 1 ATOM 4935 O OD1 . ASN B 1 205 ? 198.640 -70.976 111.194 1.00 103.31 ? 233 ASN B OD1 1 ATOM 4936 N ND2 . ASN B 1 205 ? 199.393 -72.622 109.868 1.00 105.11 ? 233 ASN B ND2 1 ATOM 4937 N N . ASP B 1 206 ? 199.876 -68.677 106.249 1.00 77.85 ? 234 ASP B N 1 ATOM 4938 C CA . ASP B 1 206 ? 200.540 -67.683 105.420 1.00 71.83 ? 234 ASP B CA 1 ATOM 4939 C C . ASP B 1 206 ? 199.661 -66.444 105.317 1.00 60.31 ? 234 ASP B C 1 ATOM 4940 O O . ASP B 1 206 ? 198.452 -66.548 105.080 1.00 58.03 ? 234 ASP B O 1 ATOM 4941 C CB . ASP B 1 206 ? 200.832 -68.250 104.028 1.00 77.27 ? 234 ASP B CB 1 ATOM 4942 C CG . ASP B 1 206 ? 201.472 -67.223 103.090 1.00 75.31 ? 234 ASP B CG 1 ATOM 4943 O OD1 . ASP B 1 206 ? 200.741 -66.380 102.521 1.00 65.49 ? 234 ASP B OD1 1 ATOM 4944 O OD2 . ASP B 1 206 ? 202.710 -67.270 102.909 1.00 81.24 ? 234 ASP B OD2 1 ATOM 4945 N N . CYS B 1 207 ? 200.246 -65.286 105.599 1.00 69.33 ? 235 CYS B N 1 ATOM 4946 C CA . CYS B 1 207 ? 199.654 -63.991 105.296 1.00 50.25 ? 235 CYS B CA 1 ATOM 4947 C C . CYS B 1 207 ? 200.259 -63.331 104.064 1.00 55.09 ? 235 CYS B C 1 ATOM 4948 O O . CYS B 1 207 ? 200.003 -62.147 103.821 1.00 65.25 ? 235 CYS B O 1 ATOM 4949 C CB . CYS B 1 207 ? 199.737 -63.084 106.525 1.00 42.29 ? 235 CYS B CB 1 ATOM 4950 S SG . CYS B 1 207 ? 198.777 -63.860 107.886 1.00 74.74 ? 235 CYS B SG 1 ATOM 4951 N N . GLU B 1 208 ? 201.104 -64.042 103.313 1.00 61.38 ? 236 GLU B N 1 ATOM 4952 C CA . GLU B 1 208 ? 201.878 -63.385 102.259 1.00 67.44 ? 236 GLU B CA 1 ATOM 4953 C C . GLU B 1 208 ? 201.005 -62.970 101.079 1.00 53.37 ? 236 GLU B C 1 ATOM 4954 O O . GLU B 1 208 ? 201.270 -61.935 100.446 1.00 52.71 ? 236 GLU B O 1 ATOM 4955 C CB . GLU B 1 208 ? 203.016 -64.293 101.782 1.00 86.39 ? 236 GLU B CB 1 ATOM 4956 C CG . GLU B 1 208 ? 204.413 -63.880 102.250 1.00 100.92 ? 236 GLU B CG 1 ATOM 4957 C CD . GLU B 1 208 ? 204.689 -64.238 103.702 1.00 117.64 ? 236 GLU B CD 1 ATOM 4958 O OE1 . GLU B 1 208 ? 204.052 -65.180 104.222 1.00 123.24 ? 236 GLU B OE1 1 ATOM 4959 O OE2 . GLU B 1 208 ? 205.545 -63.575 104.326 1.00 123.16 ? 236 GLU B OE2 1 ATOM 4960 N N . THR B 1 209 ? 199.978 -63.760 100.742 1.00 58.15 ? 237 THR B N 1 ATOM 4961 C CA . THR B 1 209 ? 199.177 -63.471 99.559 1.00 42.28 ? 237 THR B CA 1 ATOM 4962 C C . THR B 1 209 ? 197.688 -63.556 99.877 1.00 33.98 ? 237 THR B C 1 ATOM 4963 O O . THR B 1 209 ? 197.233 -64.481 100.556 1.00 36.34 ? 237 THR B O 1 ATOM 4964 C CB . THR B 1 209 ? 199.534 -64.407 98.383 1.00 53.38 ? 237 THR B CB 1 ATOM 4965 O OG1 . THR B 1 209 ? 199.159 -65.752 98.678 1.00 48.81 ? 237 THR B OG1 1 ATOM 4966 C CG2 . THR B 1 209 ? 201.026 -64.348 98.072 1.00 54.47 ? 237 THR B CG2 1 ATOM 4967 N N . PHE B 1 210 ? 196.937 -62.580 99.369 1.00 30.66 ? 238 PHE B N 1 ATOM 4968 C CA . PHE B 1 210 ? 195.556 -62.312 99.746 1.00 30.61 ? 238 PHE B CA 1 ATOM 4969 C C . PHE B 1 210 ? 195.415 -61.869 101.208 1.00 32.45 ? 238 PHE B C 1 ATOM 4970 O O . PHE B 1 210 ? 194.323 -61.926 101.771 1.00 34.49 ? 238 PHE B O 1 ATOM 4971 C CB . PHE B 1 210 ? 194.664 -63.539 99.473 1.00 32.30 ? 238 PHE B CB 1 ATOM 4972 C CG . PHE B 1 210 ? 194.828 -64.128 98.087 1.00 34.48 ? 238 PHE B CG 1 ATOM 4973 C CD1 . PHE B 1 210 ? 194.650 -63.342 96.951 1.00 27.86 ? 238 PHE B CD1 1 ATOM 4974 C CD2 . PHE B 1 210 ? 195.129 -65.483 97.921 1.00 46.52 ? 238 PHE B CD2 1 ATOM 4975 C CE1 . PHE B 1 210 ? 194.783 -63.889 95.667 1.00 27.01 ? 238 PHE B CE1 1 ATOM 4976 C CE2 . PHE B 1 210 ? 195.268 -66.053 96.638 1.00 41.64 ? 238 PHE B CE2 1 ATOM 4977 C CZ . PHE B 1 210 ? 195.100 -65.256 95.504 1.00 29.07 ? 238 PHE B CZ 1 ATOM 4978 N N . TRP B 1 211 ? 196.487 -61.376 101.823 1.00 29.62 ? 239 TRP B N 1 ATOM 4979 C CA . TRP B 1 211 ? 196.482 -60.904 103.203 1.00 33.39 ? 239 TRP B CA 1 ATOM 4980 C C . TRP B 1 211 ? 197.524 -59.805 103.362 1.00 33.47 ? 239 TRP B C 1 ATOM 4981 O O . TRP B 1 211 ? 198.516 -59.756 102.630 1.00 29.79 ? 239 TRP B O 1 ATOM 4982 C CB . TRP B 1 211 ? 196.770 -62.031 104.210 1.00 42.45 ? 239 TRP B CB 1 ATOM 4983 C CG . TRP B 1 211 ? 195.726 -63.088 104.184 1.00 46.05 ? 239 TRP B CG 1 ATOM 4984 C CD1 . TRP B 1 211 ? 195.718 -64.216 103.407 1.00 41.39 ? 239 TRP B CD1 1 ATOM 4985 C CD2 . TRP B 1 211 ? 194.509 -63.104 104.931 1.00 40.00 ? 239 TRP B CD2 1 ATOM 4986 N NE1 . TRP B 1 211 ? 194.574 -64.931 103.636 1.00 40.44 ? 239 TRP B NE1 1 ATOM 4987 C CE2 . TRP B 1 211 ? 193.816 -64.280 104.572 1.00 41.84 ? 239 TRP B CE2 1 ATOM 4988 C CE3 . TRP B 1 211 ? 193.937 -62.241 105.870 1.00 42.96 ? 239 TRP B CE3 1 ATOM 4989 C CZ2 . TRP B 1 211 ? 192.575 -64.611 105.113 1.00 43.71 ? 239 TRP B CZ2 1 ATOM 4990 C CZ3 . TRP B 1 211 ? 192.715 -62.574 106.421 1.00 45.07 ? 239 TRP B CZ3 1 ATOM 4991 C CH2 . TRP B 1 211 ? 192.042 -63.753 106.037 1.00 49.52 ? 239 TRP B CH2 1 ATOM 4992 N N . ASP B 1 212 ? 197.278 -58.916 104.317 1.00 41.61 ? 240 ASP B N 1 ATOM 4993 C CA . ASP B 1 212 ? 198.273 -57.975 104.809 1.00 42.64 ? 240 ASP B CA 1 ATOM 4994 C C . ASP B 1 212 ? 198.442 -58.210 106.300 1.00 56.99 ? 240 ASP B C 1 ATOM 4995 O O . ASP B 1 212 ? 197.454 -58.332 107.028 1.00 67.12 ? 240 ASP B O 1 ATOM 4996 C CB . ASP B 1 212 ? 197.856 -56.531 104.550 1.00 39.14 ? 240 ASP B CB 1 ATOM 4997 C CG . ASP B 1 212 ? 197.787 -56.203 103.079 1.00 31.96 ? 240 ASP B CG 1 ATOM 4998 O OD1 . ASP B 1 212 ? 198.850 -56.054 102.441 1.00 32.54 ? 240 ASP B OD1 1 ATOM 4999 O OD2 . ASP B 1 212 ? 196.670 -56.062 102.562 1.00 37.02 ? 240 ASP B OD2 1 ATOM 5000 N N . LYS B 1 213 ? 199.686 -58.286 106.748 1.00 46.31 ? 241 LYS B N 1 ATOM 5001 C CA . LYS B 1 213 ? 199.995 -58.488 108.158 1.00 53.72 ? 241 LYS B CA 1 ATOM 5002 C C . LYS B 1 213 ? 200.284 -57.146 108.815 1.00 57.84 ? 241 LYS B C 1 ATOM 5003 O O . LYS B 1 213 ? 201.092 -56.368 108.305 1.00 46.14 ? 241 LYS B O 1 ATOM 5004 C CB . LYS B 1 213 ? 201.194 -59.417 108.325 1.00 60.41 ? 241 LYS B CB 1 ATOM 5005 C CG . LYS B 1 213 ? 201.543 -59.726 109.777 1.00 77.12 ? 241 LYS B CG 1 ATOM 5006 C CD . LYS B 1 213 ? 202.596 -60.823 109.871 1.00 88.89 ? 241 LYS B CD 1 ATOM 5007 C CE . LYS B 1 213 ? 202.804 -61.276 111.313 1.00 108.55 ? 241 LYS B CE 1 ATOM 5008 N NZ . LYS B 1 213 ? 203.659 -62.492 111.409 1.00 119.41 ? 241 LYS B NZ 1 ATOM 5009 N N . ASP B 1 214 ? 199.619 -56.879 109.938 1.00 47.28 ? 242 ASP B N 1 ATOM 5010 C CA . ASP B 1 214 ? 200.023 -55.788 110.822 1.00 52.42 ? 242 ASP B CA 1 ATOM 5011 C C . ASP B 1 214 ? 201.214 -56.284 111.623 1.00 54.92 ? 242 ASP B C 1 ATOM 5012 O O . ASP B 1 214 ? 201.079 -57.199 112.441 1.00 70.55 ? 242 ASP B O 1 ATOM 5013 C CB . ASP B 1 214 ? 198.854 -55.379 111.724 1.00 61.57 ? 242 ASP B CB 1 ATOM 5014 C CG . ASP B 1 214 ? 199.281 -54.641 113.001 1.00 71.90 ? 242 ASP B CG 1 ATOM 5015 O OD1 . ASP B 1 214 ? 200.415 -54.138 113.110 1.00 75.15 ? 242 ASP B OD1 1 ATOM 5016 O OD2 . ASP B 1 214 ? 198.438 -54.540 113.912 1.00 79.61 ? 242 ASP B OD2 1 ATOM 5017 N N . GLN B 1 215 ? 202.367 -55.655 111.415 1.00 50.26 ? 243 GLN B N 1 ATOM 5018 C CA . GLN B 1 215 ? 203.627 -56.246 111.852 1.00 63.71 ? 243 GLN B CA 1 ATOM 5019 C C . GLN B 1 215 ? 203.837 -56.132 113.352 1.00 72.85 ? 243 GLN B C 1 ATOM 5020 O O . GLN B 1 215 ? 204.501 -56.990 113.941 1.00 78.46 ? 243 GLN B O 1 ATOM 5021 C CB . GLN B 1 215 ? 204.788 -55.604 111.097 1.00 66.68 ? 243 GLN B CB 1 ATOM 5022 C CG . GLN B 1 215 ? 204.786 -55.977 109.625 1.00 64.31 ? 243 GLN B CG 1 ATOM 5023 C CD . GLN B 1 215 ? 205.160 -57.433 109.394 1.00 70.87 ? 243 GLN B CD 1 ATOM 5024 O OE1 . GLN B 1 215 ? 204.473 -58.161 108.671 1.00 75.85 ? 243 GLN B OE1 1 ATOM 5025 N NE2 . GLN B 1 215 ? 206.255 -57.865 110.012 1.00 66.39 ? 243 GLN B NE2 1 ATOM 5026 N N . LEU B 1 216 ? 203.283 -55.092 113.979 1.00 58.94 ? 244 LEU B N 1 ATOM 5027 C CA . LEU B 1 216 ? 203.398 -54.959 115.428 1.00 75.80 ? 244 LEU B CA 1 ATOM 5028 C C . LEU B 1 216 ? 202.679 -56.095 116.147 1.00 86.23 ? 244 LEU B C 1 ATOM 5029 O O . LEU B 1 216 ? 203.135 -56.561 117.197 1.00 100.88 ? 244 LEU B O 1 ATOM 5030 C CB . LEU B 1 216 ? 202.849 -53.604 115.873 1.00 70.98 ? 244 LEU B CB 1 ATOM 5031 C CG . LEU B 1 216 ? 203.485 -52.387 115.196 1.00 54.71 ? 244 LEU B CG 1 ATOM 5032 C CD1 . LEU B 1 216 ? 202.581 -51.153 115.290 1.00 51.60 ? 244 LEU B CD1 1 ATOM 5033 C CD2 . LEU B 1 216 ? 204.866 -52.105 115.776 1.00 59.57 ? 244 LEU B CD2 1 ATOM 5034 N N . THR B 1 217 ? 201.555 -56.552 115.599 1.00 81.74 ? 245 THR B N 1 ATOM 5035 C CA . THR B 1 217 ? 200.760 -57.634 116.165 1.00 90.59 ? 245 THR B CA 1 ATOM 5036 C C . THR B 1 217 ? 200.941 -58.911 115.345 1.00 80.56 ? 245 THR B C 1 ATOM 5037 O O . THR B 1 217 ? 201.762 -58.986 114.426 1.00 82.35 ? 245 THR B O 1 ATOM 5038 C CB . THR B 1 217 ? 199.284 -57.231 116.245 1.00 79.48 ? 245 THR B CB 1 ATOM 5039 O OG1 . THR B 1 217 ? 198.763 -57.016 114.925 1.00 59.68 ? 245 THR B OG1 1 ATOM 5040 C CG2 . THR B 1 217 ? 199.126 -55.962 117.060 1.00 83.91 ? 245 THR B CG2 1 ATOM 5041 N N . ASP B 1 218 ? 200.174 -59.932 115.691 1.00 79.68 ? 246 ASP B N 1 ATOM 5042 C CA . ASP B 1 218 ? 200.113 -61.148 114.896 1.00 85.46 ? 246 ASP B CA 1 ATOM 5043 C C . ASP B 1 218 ? 198.965 -61.140 113.890 1.00 73.17 ? 246 ASP B C 1 ATOM 5044 O O . ASP B 1 218 ? 198.705 -62.170 113.261 1.00 76.41 ? 246 ASP B O 1 ATOM 5045 C CB . ASP B 1 218 ? 200.011 -62.369 115.814 1.00 103.23 ? 246 ASP B CB 1 ATOM 5046 C CG . ASP B 1 218 ? 201.287 -62.605 116.598 1.00 117.01 ? 246 ASP B CG 1 ATOM 5047 O OD1 . ASP B 1 218 ? 202.352 -62.135 116.138 1.00 116.61 ? 246 ASP B OD1 1 ATOM 5048 O OD2 . ASP B 1 218 ? 201.230 -63.254 117.665 1.00 125.02 ? 246 ASP B OD2 1 ATOM 5049 N N . SER B 1 219 ? 198.271 -60.015 113.735 1.00 80.14 ? 247 SER B N 1 ATOM 5050 C CA . SER B 1 219 ? 196.992 -59.980 113.041 1.00 73.13 ? 247 SER B CA 1 ATOM 5051 C C . SER B 1 219 ? 197.151 -59.813 111.534 1.00 60.41 ? 247 SER B C 1 ATOM 5052 O O . SER B 1 219 ? 197.951 -58.996 111.060 1.00 54.89 ? 247 SER B O 1 ATOM 5053 C CB . SER B 1 219 ? 196.131 -58.851 113.601 1.00 78.13 ? 247 SER B CB 1 ATOM 5054 O OG . SER B 1 219 ? 195.846 -59.075 114.968 1.00 92.27 ? 247 SER B OG 1 ATOM 5055 N N . CYS B 1 220 ? 196.360 -60.581 110.782 1.00 65.41 ? 248 CYS B N 1 ATOM 5056 C CA . CYS B 1 220 ? 196.334 -60.503 109.330 1.00 52.75 ? 248 CYS B CA 1 ATOM 5057 C C . CYS B 1 220 ? 194.962 -60.057 108.847 1.00 45.49 ? 248 CYS B C 1 ATOM 5058 O O . CYS B 1 220 ? 193.932 -60.372 109.453 1.00 45.42 ? 248 CYS B O 1 ATOM 5059 C CB . CYS B 1 220 ? 196.695 -61.836 108.686 1.00 49.42 ? 248 CYS B CB 1 ATOM 5060 S SG . CYS B 1 220 ? 198.350 -62.325 109.127 1.00 70.38 ? 248 CYS B SG 1 ATOM 5061 N N . TYR B 1 221 ? 194.967 -59.323 107.735 1.00 41.87 ? 249 TYR B N 1 ATOM 5062 C CA . TYR B 1 221 ? 193.797 -58.605 107.277 1.00 37.04 ? 249 TYR B CA 1 ATOM 5063 C C . TYR B 1 221 ? 193.655 -58.791 105.778 1.00 31.70 ? 249 TYR B C 1 ATOM 5064 O O . TYR B 1 221 ? 194.644 -58.800 105.036 1.00 30.16 ? 249 TYR B O 1 ATOM 5065 C CB . TYR B 1 221 ? 193.893 -57.104 107.636 1.00 37.06 ? 249 TYR B CB 1 ATOM 5066 C CG . TYR B 1 221 ? 194.006 -56.855 109.122 1.00 44.99 ? 249 TYR B CG 1 ATOM 5067 C CD1 . TYR B 1 221 ? 195.243 -56.861 109.758 1.00 51.39 ? 249 TYR B CD1 1 ATOM 5068 C CD2 . TYR B 1 221 ? 192.877 -56.635 109.892 1.00 48.03 ? 249 TYR B CD2 1 ATOM 5069 C CE1 . TYR B 1 221 ? 195.348 -56.653 111.115 1.00 59.99 ? 249 TYR B CE1 1 ATOM 5070 C CE2 . TYR B 1 221 ? 192.973 -56.420 111.248 1.00 60.76 ? 249 TYR B CE2 1 ATOM 5071 C CZ . TYR B 1 221 ? 194.210 -56.428 111.859 1.00 66.97 ? 249 TYR B CZ 1 ATOM 5072 O OH . TYR B 1 221 ? 194.301 -56.213 113.216 1.00 77.15 ? 249 TYR B OH 1 ATOM 5073 N N . GLN B 1 222 ? 192.412 -58.935 105.344 1.00 36.25 ? 250 GLN B N 1 ATOM 5074 C CA . GLN B 1 222 ? 192.081 -59.081 103.936 1.00 31.75 ? 250 GLN B CA 1 ATOM 5075 C C . GLN B 1 222 ? 190.925 -58.130 103.648 1.00 30.98 ? 250 GLN B C 1 ATOM 5076 O O . GLN B 1 222 ? 189.825 -58.303 104.186 1.00 39.85 ? 250 GLN B O 1 ATOM 5077 C CB . GLN B 1 222 ? 191.709 -60.535 103.615 1.00 36.21 ? 250 GLN B CB 1 ATOM 5078 C CG . GLN B 1 222 ? 191.209 -60.773 102.205 1.00 29.09 ? 250 GLN B CG 1 ATOM 5079 C CD . GLN B 1 222 ? 190.742 -62.218 102.006 1.00 31.21 ? 250 GLN B CD 1 ATOM 5080 O OE1 . GLN B 1 222 ? 189.571 -62.549 102.223 1.00 32.14 ? 250 GLN B OE1 1 ATOM 5081 N NE2 . GLN B 1 222 ? 191.674 -63.085 101.612 1.00 33.20 ? 250 GLN B NE2 1 ATOM 5082 N N . PHE B 1 223 ? 191.174 -57.127 102.822 1.00 31.97 ? 251 PHE B N 1 ATOM 5083 C CA . PHE B 1 223 ? 190.161 -56.140 102.477 1.00 31.24 ? 251 PHE B CA 1 ATOM 5084 C C . PHE B 1 223 ? 189.677 -56.455 101.064 1.00 27.66 ? 251 PHE B C 1 ATOM 5085 O O . PHE B 1 223 ? 190.346 -56.101 100.071 1.00 23.90 ? 251 PHE B O 1 ATOM 5086 C CB . PHE B 1 223 ? 190.733 -54.723 102.556 1.00 30.23 ? 251 PHE B CB 1 ATOM 5087 C CG . PHE B 1 223 ? 190.972 -54.242 103.964 1.00 39.49 ? 251 PHE B CG 1 ATOM 5088 C CD1 . PHE B 1 223 ? 192.066 -54.681 104.683 1.00 36.07 ? 251 PHE B CD1 1 ATOM 5089 C CD2 . PHE B 1 223 ? 190.105 -53.339 104.559 1.00 38.15 ? 251 PHE B CD2 1 ATOM 5090 C CE1 . PHE B 1 223 ? 192.273 -54.253 105.969 1.00 45.37 ? 251 PHE B CE1 1 ATOM 5091 C CE2 . PHE B 1 223 ? 190.312 -52.915 105.846 1.00 43.12 ? 251 PHE B CE2 1 ATOM 5092 C CZ . PHE B 1 223 ? 191.391 -53.373 106.553 1.00 46.10 ? 251 PHE B CZ 1 ATOM 5093 N N . ASN B 1 224 ? 188.472 -57.024 100.961 1.00 28.43 ? 252 ASN B N 1 ATOM 5094 C CA . ASN B 1 224 ? 188.015 -57.445 99.652 1.00 26.04 ? 252 ASN B CA 1 ATOM 5095 C C . ASN B 1 224 ? 187.155 -56.298 99.127 1.00 25.25 ? 252 ASN B C 1 ATOM 5096 O O . ASN B 1 224 ? 185.932 -56.408 99.063 1.00 26.51 ? 252 ASN B O 1 ATOM 5097 C CB . ASN B 1 224 ? 187.207 -58.745 99.764 1.00 27.77 ? 252 ASN B CB 1 ATOM 5098 C CG . ASN B 1 224 ? 187.977 -59.882 100.457 1.00 29.70 ? 252 ASN B CG 1 ATOM 5099 O OD1 . ASN B 1 224 ? 188.907 -60.443 99.885 1.00 28.08 ? 252 ASN B OD1 1 ATOM 5100 N ND2 . ASN B 1 224 ? 187.581 -60.221 101.683 1.00 34.11 ? 252 ASN B ND2 1 ATOM 5101 N N . PHE B 1 225 ? 187.827 -55.312 98.504 1.00 27.21 ? 253 PHE B N 1 ATOM 5102 C CA . PHE B 1 225 ? 187.154 -54.114 98.011 1.00 29.19 ? 253 PHE B CA 1 ATOM 5103 C C . PHE B 1 225 ? 186.268 -54.412 96.815 1.00 25.73 ? 253 PHE B C 1 ATOM 5104 O O . PHE B 1 225 ? 185.275 -53.720 96.609 1.00 32.22 ? 253 PHE B O 1 ATOM 5105 C CB . PHE B 1 225 ? 188.176 -53.024 97.612 1.00 23.87 ? 253 PHE B CB 1 ATOM 5106 C CG . PHE B 1 225 ? 188.902 -52.402 98.776 1.00 25.71 ? 253 PHE B CG 1 ATOM 5107 C CD1 . PHE B 1 225 ? 188.229 -51.622 99.686 1.00 29.14 ? 253 PHE B CD1 1 ATOM 5108 C CD2 . PHE B 1 225 ? 190.261 -52.604 98.949 1.00 24.46 ? 253 PHE B CD2 1 ATOM 5109 C CE1 . PHE B 1 225 ? 188.898 -51.049 100.753 1.00 31.80 ? 253 PHE B CE1 1 ATOM 5110 C CE2 . PHE B 1 225 ? 190.928 -52.044 100.022 1.00 26.54 ? 253 PHE B CE2 1 ATOM 5111 C CZ . PHE B 1 225 ? 190.245 -51.257 100.919 1.00 29.88 ? 253 PHE B CZ 1 ATOM 5112 N N . GLN B 1 226 ? 186.629 -55.393 95.994 1.00 32.00 ? 254 GLN B N 1 ATOM 5113 C CA . GLN B 1 226 ? 185.911 -55.650 94.753 1.00 26.64 ? 254 GLN B CA 1 ATOM 5114 C C . GLN B 1 226 ? 184.723 -56.585 94.937 1.00 29.93 ? 254 GLN B C 1 ATOM 5115 O O . GLN B 1 226 ? 184.070 -56.944 93.954 1.00 30.70 ? 254 GLN B O 1 ATOM 5116 C CB . GLN B 1 226 ? 186.864 -56.222 93.697 1.00 24.75 ? 254 GLN B CB 1 ATOM 5117 C CG . GLN B 1 226 ? 188.109 -55.393 93.433 1.00 23.45 ? 254 GLN B CG 1 ATOM 5118 C CD . GLN B 1 226 ? 187.841 -53.868 93.255 1.00 30.61 ? 254 GLN B CD 1 ATOM 5119 O OE1 . GLN B 1 226 ? 186.820 -53.444 92.695 1.00 38.84 ? 254 GLN B OE1 1 ATOM 5120 N NE2 . GLN B 1 226 ? 188.758 -53.051 93.773 1.00 23.76 ? 254 GLN B NE2 1 ATOM 5121 N N . SER B 1 227 ? 184.429 -57.006 96.155 1.00 25.12 ? 255 SER B N 1 ATOM 5122 C CA . SER B 1 227 ? 183.384 -57.991 96.358 1.00 27.11 ? 255 SER B CA 1 ATOM 5123 C C . SER B 1 227 ? 182.102 -57.331 96.812 1.00 32.86 ? 255 SER B C 1 ATOM 5124 O O . SER B 1 227 ? 182.111 -56.288 97.461 1.00 42.90 ? 255 SER B O 1 ATOM 5125 C CB . SER B 1 227 ? 183.814 -59.037 97.368 1.00 29.05 ? 255 SER B CB 1 ATOM 5126 O OG . SER B 1 227 ? 185.014 -59.571 96.903 1.00 26.52 ? 255 SER B OG 1 ATOM 5127 N N . THR B 1 228 ? 180.993 -57.923 96.396 1.00 29.41 ? 256 THR B N 1 ATOM 5128 C CA . THR B 1 228 ? 179.662 -57.490 96.808 1.00 40.98 ? 256 THR B CA 1 ATOM 5129 C C . THR B 1 228 ? 178.971 -58.734 97.349 1.00 50.59 ? 256 THR B C 1 ATOM 5130 O O . THR B 1 228 ? 178.455 -59.550 96.584 1.00 47.59 ? 256 THR B O 1 ATOM 5131 C CB . THR B 1 228 ? 178.910 -56.900 95.627 1.00 35.38 ? 256 THR B CB 1 ATOM 5132 O OG1 . THR B 1 228 ? 178.888 -57.870 94.573 1.00 32.80 ? 256 THR B OG1 1 ATOM 5133 C CG2 . THR B 1 228 ? 179.632 -55.663 95.092 1.00 30.04 ? 256 THR B CG2 1 ATOM 5134 N N . LEU B 1 229 ? 178.870 -58.813 98.667 1.00 48.36 ? 257 LEU B N 1 ATOM 5135 C CA . LEU B 1 229 ? 178.351 -59.984 99.352 1.00 47.16 ? 257 LEU B CA 1 ATOM 5136 C C . LEU B 1 229 ? 177.574 -59.522 100.570 1.00 58.45 ? 257 LEU B C 1 ATOM 5137 O O . LEU B 1 229 ? 177.904 -58.505 101.190 1.00 54.02 ? 257 LEU B O 1 ATOM 5138 C CB . LEU B 1 229 ? 179.465 -60.953 99.794 1.00 36.83 ? 257 LEU B CB 1 ATOM 5139 C CG . LEU B 1 229 ? 180.204 -61.807 98.771 1.00 30.61 ? 257 LEU B CG 1 ATOM 5140 C CD1 . LEU B 1 229 ? 180.993 -62.913 99.485 1.00 31.73 ? 257 LEU B CD1 1 ATOM 5141 C CD2 . LEU B 1 229 ? 179.240 -62.396 97.766 1.00 30.95 ? 257 LEU B CD2 1 ATOM 5142 N N . SER B 1 230 ? 176.534 -60.281 100.901 1.00 46.95 ? 258 SER B N 1 ATOM 5143 C CA . SER B 1 230 ? 175.787 -60.037 102.126 1.00 55.33 ? 258 SER B CA 1 ATOM 5144 C C . SER B 1 230 ? 176.662 -60.367 103.326 1.00 57.67 ? 258 SER B C 1 ATOM 5145 O O . SER B 1 230 ? 177.688 -61.045 103.213 1.00 52.97 ? 258 SER B O 1 ATOM 5146 C CB . SER B 1 230 ? 174.506 -60.869 102.164 1.00 58.33 ? 258 SER B CB 1 ATOM 5147 O OG . SER B 1 230 ? 174.794 -62.235 102.408 1.00 57.50 ? 258 SER B OG 1 ATOM 5148 N N . TRP B 1 231 ? 176.259 -59.848 104.482 1.00 50.25 ? 259 TRP B N 1 ATOM 5149 C CA . TRP B 1 231 ? 177.041 -60.061 105.694 1.00 49.61 ? 259 TRP B CA 1 ATOM 5150 C C . TRP B 1 231 ? 177.200 -61.544 105.997 1.00 51.94 ? 259 TRP B C 1 ATOM 5151 O O . TRP B 1 231 ? 178.289 -62.001 106.365 1.00 47.20 ? 259 TRP B O 1 ATOM 5152 C CB . TRP B 1 231 ? 176.390 -59.337 106.872 1.00 57.54 ? 259 TRP B CB 1 ATOM 5153 C CG . TRP B 1 231 ? 177.222 -59.349 108.114 1.00 61.48 ? 259 TRP B CG 1 ATOM 5154 C CD1 . TRP B 1 231 ? 178.051 -58.360 108.551 1.00 61.49 ? 259 TRP B CD1 1 ATOM 5155 C CD2 . TRP B 1 231 ? 177.304 -60.399 109.083 1.00 70.50 ? 259 TRP B CD2 1 ATOM 5156 N NE1 . TRP B 1 231 ? 178.644 -58.728 109.731 1.00 64.41 ? 259 TRP B NE1 1 ATOM 5157 C CE2 . TRP B 1 231 ? 178.202 -59.976 110.080 1.00 70.48 ? 259 TRP B CE2 1 ATOM 5158 C CE3 . TRP B 1 231 ? 176.704 -61.655 109.206 1.00 78.04 ? 259 TRP B CE3 1 ATOM 5159 C CZ2 . TRP B 1 231 ? 178.516 -60.763 111.183 1.00 83.35 ? 259 TRP B CZ2 1 ATOM 5160 C CZ3 . TRP B 1 231 ? 177.020 -62.435 110.298 1.00 85.72 ? 259 TRP B CZ3 1 ATOM 5161 C CH2 . TRP B 1 231 ? 177.916 -61.987 111.274 1.00 88.92 ? 259 TRP B CH2 1 ATOM 5162 N N . ARG B 1 232 ? 176.123 -62.316 105.861 1.00 60.29 ? 260 ARG B N 1 ATOM 5163 C CA . ARG B 1 232 ? 176.228 -63.739 106.144 1.00 58.78 ? 260 ARG B CA 1 ATOM 5164 C C . ARG B 1 232 ? 177.130 -64.417 105.130 1.00 48.12 ? 260 ARG B C 1 ATOM 5165 O O . ARG B 1 232 ? 177.935 -65.285 105.491 1.00 44.62 ? 260 ARG B O 1 ATOM 5166 C CB . ARG B 1 232 ? 174.842 -64.376 106.169 1.00 75.13 ? 260 ARG B CB 1 ATOM 5167 C CG . ARG B 1 232 ? 173.954 -63.804 107.259 1.00 95.38 ? 260 ARG B CG 1 ATOM 5168 C CD . ARG B 1 232 ? 172.801 -64.731 107.599 1.00 111.54 ? 260 ARG B CD 1 ATOM 5169 N NE . ARG B 1 232 ? 172.047 -64.251 108.752 1.00 126.75 ? 260 ARG B NE 1 ATOM 5170 C CZ . ARG B 1 232 ? 172.381 -64.499 110.013 1.00 136.76 ? 260 ARG B CZ 1 ATOM 5171 N NH1 . ARG B 1 232 ? 173.459 -65.220 110.286 1.00 134.75 ? 260 ARG B NH1 1 ATOM 5172 N NH2 . ARG B 1 232 ? 171.638 -64.023 111.001 1.00 148.35 ? 260 ARG B NH2 1 ATOM 5173 N N . GLU B 1 233 ? 177.030 -64.014 103.859 1.00 60.49 ? 261 GLU B N 1 ATOM 5174 C CA . GLU B 1 233 ? 177.920 -64.566 102.845 1.00 48.05 ? 261 GLU B CA 1 ATOM 5175 C C . GLU B 1 233 ? 179.371 -64.218 103.151 1.00 47.02 ? 261 GLU B C 1 ATOM 5176 O O . GLU B 1 233 ? 180.261 -65.078 103.062 1.00 42.21 ? 261 GLU B O 1 ATOM 5177 C CB . GLU B 1 233 ? 177.525 -64.052 101.462 1.00 52.06 ? 261 GLU B CB 1 ATOM 5178 C CG . GLU B 1 233 ? 176.272 -64.686 100.861 1.00 62.11 ? 261 GLU B CG 1 ATOM 5179 C CD . GLU B 1 233 ? 175.900 -64.063 99.523 1.00 60.17 ? 261 GLU B CD 1 ATOM 5180 O OE1 . GLU B 1 233 ? 175.176 -63.052 99.511 1.00 55.72 ? 261 GLU B OE1 1 ATOM 5181 O OE2 . GLU B 1 233 ? 176.355 -64.565 98.475 1.00 63.83 ? 261 GLU B OE2 1 ATOM 5182 N N . ALA B 1 234 ? 179.622 -62.960 103.527 1.00 50.60 ? 262 ALA B N 1 ATOM 5183 C CA . ALA B 1 234 ? 180.964 -62.548 103.917 1.00 43.45 ? 262 ALA B CA 1 ATOM 5184 C C . ALA B 1 234 ? 181.434 -63.310 105.148 1.00 43.39 ? 262 ALA B C 1 ATOM 5185 O O . ALA B 1 234 ? 182.607 -63.689 105.244 1.00 41.64 ? 262 ALA B O 1 ATOM 5186 C CB . ALA B 1 234 ? 180.994 -61.038 104.174 1.00 44.07 ? 262 ALA B CB 1 ATOM 5187 N N . TRP B 1 235 ? 180.538 -63.537 106.107 1.00 40.75 ? 263 TRP B N 1 ATOM 5188 C CA . TRP B 1 235 ? 180.926 -64.336 107.259 1.00 47.95 ? 263 TRP B CA 1 ATOM 5189 C C . TRP B 1 235 ? 181.425 -65.701 106.809 1.00 43.84 ? 263 TRP B C 1 ATOM 5190 O O . TRP B 1 235 ? 182.539 -66.112 107.154 1.00 43.62 ? 263 TRP B O 1 ATOM 5191 C CB . TRP B 1 235 ? 179.766 -64.483 108.246 1.00 63.80 ? 263 TRP B CB 1 ATOM 5192 C CG . TRP B 1 235 ? 180.208 -65.196 109.493 1.00 73.48 ? 263 TRP B CG 1 ATOM 5193 C CD1 . TRP B 1 235 ? 180.700 -64.629 110.630 1.00 78.13 ? 263 TRP B CD1 1 ATOM 5194 C CD2 . TRP B 1 235 ? 180.240 -66.614 109.706 1.00 78.69 ? 263 TRP B CD2 1 ATOM 5195 N NE1 . TRP B 1 235 ? 181.023 -65.602 111.542 1.00 84.03 ? 263 TRP B NE1 1 ATOM 5196 C CE2 . TRP B 1 235 ? 180.749 -66.829 111.001 1.00 82.51 ? 263 TRP B CE2 1 ATOM 5197 C CE3 . TRP B 1 235 ? 179.876 -67.721 108.931 1.00 83.17 ? 263 TRP B CE3 1 ATOM 5198 C CZ2 . TRP B 1 235 ? 180.903 -68.103 111.540 1.00 89.34 ? 263 TRP B CZ2 1 ATOM 5199 C CZ3 . TRP B 1 235 ? 180.028 -68.986 109.469 1.00 89.44 ? 263 TRP B CZ3 1 ATOM 5200 C CH2 . TRP B 1 235 ? 180.540 -69.165 110.760 1.00 94.02 ? 263 TRP B CH2 1 ATOM 5201 N N . ALA B 1 236 ? 180.626 -66.397 105.998 1.00 49.65 ? 264 ALA B N 1 ATOM 5202 C CA . ALA B 1 236 ? 181.043 -67.693 105.483 1.00 50.05 ? 264 ALA B CA 1 ATOM 5203 C C . ALA B 1 236 ? 182.367 -67.590 104.737 1.00 46.21 ? 264 ALA B C 1 ATOM 5204 O O . ALA B 1 236 ? 183.212 -68.491 104.835 1.00 46.68 ? 264 ALA B O 1 ATOM 5205 C CB . ALA B 1 236 ? 179.959 -68.265 104.575 1.00 52.15 ? 264 ALA B CB 1 ATOM 5206 N N . SER B 1 237 ? 182.568 -66.498 103.987 1.00 49.91 ? 265 SER B N 1 ATOM 5207 C CA . SER B 1 237 ? 183.790 -66.361 103.195 1.00 41.49 ? 265 SER B CA 1 ATOM 5208 C C . SER B 1 237 ? 185.017 -66.277 104.089 1.00 42.87 ? 265 SER B C 1 ATOM 5209 O O . SER B 1 237 ? 186.059 -66.874 103.789 1.00 46.38 ? 265 SER B O 1 ATOM 5210 C CB . SER B 1 237 ? 183.715 -65.128 102.281 1.00 33.54 ? 265 SER B CB 1 ATOM 5211 O OG . SER B 1 237 ? 184.898 -64.974 101.506 1.00 31.59 ? 265 SER B OG 1 ATOM 5212 N N . CYS B 1 238 ? 184.925 -65.524 105.185 1.00 37.55 ? 266 CYS B N 1 ATOM 5213 C CA . CYS B 1 238 ? 186.053 -65.490 106.104 1.00 43.53 ? 266 CYS B CA 1 ATOM 5214 C C . CYS B 1 238 ? 186.194 -66.827 106.820 1.00 47.85 ? 266 CYS B C 1 ATOM 5215 O O . CYS B 1 238 ? 187.310 -67.305 107.043 1.00 46.67 ? 266 CYS B O 1 ATOM 5216 C CB . CYS B 1 238 ? 185.902 -64.341 107.096 1.00 41.57 ? 266 CYS B CB 1 ATOM 5217 S SG . CYS B 1 238 ? 185.708 -62.683 106.351 1.00 40.94 ? 266 CYS B SG 1 ATOM 5218 N N . GLU B 1 239 ? 185.067 -67.463 107.147 1.00 41.21 ? 267 GLU B N 1 ATOM 5219 C CA . GLU B 1 239 ? 185.111 -68.779 107.784 1.00 50.65 ? 267 GLU B CA 1 ATOM 5220 C C . GLU B 1 239 ? 185.821 -69.808 106.899 1.00 44.01 ? 267 GLU B C 1 ATOM 5221 O O . GLU B 1 239 ? 186.635 -70.598 107.391 1.00 47.01 ? 267 GLU B O 1 ATOM 5222 C CB . GLU B 1 239 ? 183.694 -69.228 108.135 1.00 61.11 ? 267 GLU B CB 1 ATOM 5223 C CG . GLU B 1 239 ? 183.633 -70.458 109.028 1.00 87.06 ? 267 GLU B CG 1 ATOM 5224 C CD . GLU B 1 239 ? 183.725 -71.757 108.249 1.00 94.41 ? 267 GLU B CD 1 ATOM 5225 O OE1 . GLU B 1 239 ? 183.175 -71.825 107.126 1.00 88.32 ? 267 GLU B OE1 1 ATOM 5226 O OE2 . GLU B 1 239 ? 184.354 -72.709 108.757 1.00 101.91 ? 267 GLU B OE2 1 ATOM 5227 N N . GLN B 1 240 ? 185.573 -69.771 105.585 1.00 49.17 ? 268 GLN B N 1 ATOM 5228 C CA . GLN B 1 240 ? 186.203 -70.704 104.660 1.00 42.93 ? 268 GLN B CA 1 ATOM 5229 C C . GLN B 1 240 ? 187.705 -70.509 104.545 1.00 45.87 ? 268 GLN B C 1 ATOM 5230 O O . GLN B 1 240 ? 188.393 -71.389 104.018 1.00 40.44 ? 268 GLN B O 1 ATOM 5231 C CB . GLN B 1 240 ? 185.561 -70.569 103.280 1.00 41.27 ? 268 GLN B CB 1 ATOM 5232 C CG . GLN B 1 240 ? 184.127 -71.107 103.242 1.00 52.22 ? 268 GLN B CG 1 ATOM 5233 C CD . GLN B 1 240 ? 183.282 -70.479 102.153 1.00 49.34 ? 268 GLN B CD 1 ATOM 5234 O OE1 . GLN B 1 240 ? 183.779 -69.712 101.327 1.00 35.79 ? 268 GLN B OE1 1 ATOM 5235 N NE2 . GLN B 1 240 ? 181.995 -70.817 102.133 1.00 48.68 ? 268 GLN B NE2 1 ATOM 5236 N N . GLN B 1 241 ? 188.224 -69.361 104.967 1.00 53.99 ? 269 GLN B N 1 ATOM 5237 C CA . GLN B 1 241 ? 189.651 -69.088 104.917 1.00 51.54 ? 269 GLN B CA 1 ATOM 5238 C C . GLN B 1 241 ? 190.344 -69.348 106.249 1.00 71.80 ? 269 GLN B C 1 ATOM 5239 O O . GLN B 1 241 ? 191.513 -68.985 106.412 1.00 76.43 ? 269 GLN B O 1 ATOM 5240 C CB . GLN B 1 241 ? 189.894 -67.657 104.435 1.00 39.08 ? 269 GLN B CB 1 ATOM 5241 C CG . GLN B 1 241 ? 189.474 -67.462 102.989 1.00 35.16 ? 269 GLN B CG 1 ATOM 5242 C CD . GLN B 1 241 ? 189.656 -66.029 102.504 1.00 31.00 ? 269 GLN B CD 1 ATOM 5243 O OE1 . GLN B 1 241 ? 190.683 -65.673 101.907 1.00 29.56 ? 269 GLN B OE1 1 ATOM 5244 N NE2 . GLN B 1 241 ? 188.648 -65.203 102.754 1.00 31.18 ? 269 GLN B NE2 1 ATOM 5245 N N . GLY B 1 242 ? 189.638 -69.929 107.213 1.00 49.19 ? 270 GLY B N 1 ATOM 5246 C CA . GLY B 1 242 ? 190.196 -70.107 108.540 1.00 60.22 ? 270 GLY B CA 1 ATOM 5247 C C . GLY B 1 242 ? 190.315 -68.779 109.246 1.00 58.69 ? 270 GLY B C 1 ATOM 5248 O O . GLY B 1 242 ? 191.286 -68.550 109.976 1.00 61.85 ? 270 GLY B O 1 ATOM 5249 N N . ALA B 1 243 ? 189.346 -67.897 109.032 1.00 48.07 ? 271 ALA B N 1 ATOM 5250 C CA . ALA B 1 243 ? 189.404 -66.520 109.483 1.00 44.74 ? 271 ALA B CA 1 ATOM 5251 C C . ALA B 1 243 ? 188.016 -66.128 109.966 1.00 48.43 ? 271 ALA B C 1 ATOM 5252 O O . ALA B 1 243 ? 187.105 -66.956 110.039 1.00 52.20 ? 271 ALA B O 1 ATOM 5253 C CB . ALA B 1 243 ? 189.919 -65.616 108.355 1.00 41.99 ? 271 ALA B CB 1 ATOM 5254 N N . ASP B 1 244 ? 187.851 -64.855 110.303 1.00 42.84 ? 272 ASP B N 1 ATOM 5255 C CA . ASP B 1 244 ? 186.558 -64.355 110.730 1.00 45.16 ? 272 ASP B CA 1 ATOM 5256 C C . ASP B 1 244 ? 186.409 -62.928 110.226 1.00 42.37 ? 272 ASP B C 1 ATOM 5257 O O . ASP B 1 244 ? 187.384 -62.296 109.793 1.00 40.67 ? 272 ASP B O 1 ATOM 5258 C CB . ASP B 1 244 ? 186.412 -64.430 112.255 1.00 58.19 ? 272 ASP B CB 1 ATOM 5259 C CG . ASP B 1 244 ? 184.989 -64.727 112.697 1.00 74.14 ? 272 ASP B CG 1 ATOM 5260 O OD1 . ASP B 1 244 ? 184.036 -64.227 112.061 1.00 69.61 ? 272 ASP B OD1 1 ATOM 5261 O OD2 . ASP B 1 244 ? 184.827 -65.465 113.692 1.00 90.13 ? 272 ASP B OD2 1 ATOM 5262 N N . LEU B 1 245 ? 185.175 -62.428 110.261 1.00 46.89 ? 273 LEU B N 1 ATOM 5263 C CA . LEU B 1 245 ? 184.942 -61.038 109.902 1.00 44.57 ? 273 LEU B CA 1 ATOM 5264 C C . LEU B 1 245 ? 185.731 -60.124 110.827 1.00 47.54 ? 273 LEU B C 1 ATOM 5265 O O . LEU B 1 245 ? 185.985 -60.455 111.988 1.00 56.75 ? 273 LEU B O 1 ATOM 5266 C CB . LEU B 1 245 ? 183.458 -60.703 109.965 1.00 48.40 ? 273 LEU B CB 1 ATOM 5267 C CG . LEU B 1 245 ? 182.732 -61.053 108.666 1.00 44.14 ? 273 LEU B CG 1 ATOM 5268 C CD1 . LEU B 1 245 ? 181.217 -60.951 108.829 1.00 54.93 ? 273 LEU B CD1 1 ATOM 5269 C CD2 . LEU B 1 245 ? 183.218 -60.176 107.539 1.00 38.98 ? 273 LEU B CD2 1 ATOM 5270 N N . LEU B 1 246 ? 186.157 -58.982 110.285 1.00 42.86 ? 274 LEU B N 1 ATOM 5271 C CA . LEU B 1 246 ? 186.993 -58.064 111.049 1.00 45.17 ? 274 LEU B CA 1 ATOM 5272 C C . LEU B 1 246 ? 186.333 -57.711 112.377 1.00 58.51 ? 274 LEU B C 1 ATOM 5273 O O . LEU B 1 246 ? 185.147 -57.373 112.429 1.00 61.08 ? 274 LEU B O 1 ATOM 5274 C CB . LEU B 1 246 ? 187.279 -56.789 110.241 1.00 40.35 ? 274 LEU B CB 1 ATOM 5275 C CG . LEU B 1 246 ? 188.063 -55.652 110.919 1.00 42.00 ? 274 LEU B CG 1 ATOM 5276 C CD1 . LEU B 1 246 ? 189.418 -56.110 111.428 1.00 42.29 ? 274 LEU B CD1 1 ATOM 5277 C CD2 . LEU B 1 246 ? 188.248 -54.416 109.987 1.00 37.72 ? 274 LEU B CD2 1 ATOM 5278 N N . SER B 1 247 ? 187.105 -57.836 113.451 1.00 47.23 ? 275 SER B N 1 ATOM 5279 C CA . SER B 1 247 ? 186.793 -57.218 114.734 1.00 57.38 ? 275 SER B CA 1 ATOM 5280 C C . SER B 1 247 ? 187.849 -56.166 115.064 1.00 54.88 ? 275 SER B C 1 ATOM 5281 O O . SER B 1 247 ? 189.047 -56.388 114.873 1.00 51.65 ? 275 SER B O 1 ATOM 5282 C CB . SER B 1 247 ? 186.711 -58.256 115.865 1.00 64.90 ? 275 SER B CB 1 ATOM 5283 O OG . SER B 1 247 ? 187.955 -58.880 116.099 1.00 61.99 ? 275 SER B OG 1 ATOM 5284 N N . ILE B 1 248 ? 187.412 -55.017 115.541 1.00 57.42 ? 276 ILE B N 1 ATOM 5285 C CA . ILE B 1 248 ? 188.334 -53.965 115.946 1.00 58.28 ? 276 ILE B CA 1 ATOM 5286 C C . ILE B 1 248 ? 188.225 -53.860 117.457 1.00 73.82 ? 276 ILE B C 1 ATOM 5287 O O . ILE B 1 248 ? 187.246 -53.322 117.984 1.00 93.17 ? 276 ILE B O 1 ATOM 5288 C CB . ILE B 1 248 ? 188.013 -52.641 115.247 1.00 54.75 ? 276 ILE B CB 1 ATOM 5289 C CG1 . ILE B 1 248 ? 187.982 -52.874 113.743 1.00 46.69 ? 276 ILE B CG1 1 ATOM 5290 C CG2 . ILE B 1 248 ? 189.018 -51.548 115.631 1.00 55.65 ? 276 ILE B CG2 1 ATOM 5291 C CD1 . ILE B 1 248 ? 187.139 -51.854 113.005 1.00 46.71 ? 276 ILE B CD1 1 ATOM 5292 N N . THR B 1 249 ? 189.232 -54.375 118.155 1.00 60.13 ? 277 THR B N 1 ATOM 5293 C CA . THR B 1 249 ? 189.178 -54.535 119.604 1.00 67.15 ? 277 THR B CA 1 ATOM 5294 C C . THR B 1 249 ? 189.916 -53.442 120.354 1.00 77.16 ? 277 THR B C 1 ATOM 5295 O O . THR B 1 249 ? 189.883 -53.421 121.586 1.00 97.36 ? 277 THR B O 1 ATOM 5296 C CB . THR B 1 249 ? 189.755 -55.894 120.009 1.00 68.67 ? 277 THR B CB 1 ATOM 5297 O OG1 . THR B 1 249 ? 191.186 -55.817 120.016 1.00 67.05 ? 277 THR B OG1 1 ATOM 5298 C CG2 . THR B 1 249 ? 189.311 -56.978 119.028 1.00 64.80 ? 277 THR B CG2 1 ATOM 5299 N N . GLU B 1 250 ? 190.575 -52.537 119.645 1.00 76.26 ? 278 GLU B N 1 ATOM 5300 C CA . GLU B 1 250 ? 191.513 -51.622 120.264 1.00 80.48 ? 278 GLU B CA 1 ATOM 5301 C C . GLU B 1 250 ? 191.594 -50.364 119.423 1.00 68.37 ? 278 GLU B C 1 ATOM 5302 O O . GLU B 1 250 ? 191.359 -50.400 118.214 1.00 62.35 ? 278 GLU B O 1 ATOM 5303 C CB . GLU B 1 250 ? 192.904 -52.249 120.378 1.00 77.41 ? 278 GLU B CB 1 ATOM 5304 C CG . GLU B 1 250 ? 193.102 -53.163 121.559 1.00 104.12 ? 278 GLU B CG 1 ATOM 5305 C CD . GLU B 1 250 ? 194.479 -53.777 121.551 1.00 105.17 ? 278 GLU B CD 1 ATOM 5306 O OE1 . GLU B 1 250 ? 195.166 -53.649 120.511 1.00 71.67 ? 278 GLU B OE1 1 ATOM 5307 O OE2 . GLU B 1 250 ? 194.870 -54.384 122.570 1.00 125.18 ? 278 GLU B OE2 1 ATOM 5308 N N . ILE B 1 251 ? 191.942 -49.253 120.072 1.00 70.74 ? 279 ILE B N 1 ATOM 5309 C CA . ILE B 1 251 ? 192.289 -48.044 119.336 1.00 67.35 ? 279 ILE B CA 1 ATOM 5310 C C . ILE B 1 251 ? 193.452 -48.320 118.392 1.00 60.13 ? 279 ILE B C 1 ATOM 5311 O O . ILE B 1 251 ? 193.516 -47.761 117.295 1.00 55.06 ? 279 ILE B O 1 ATOM 5312 C CB . ILE B 1 251 ? 192.611 -46.888 120.313 1.00 74.41 ? 279 ILE B CB 1 ATOM 5313 C CG1 . ILE B 1 251 ? 192.967 -45.608 119.553 1.00 69.67 ? 279 ILE B CG1 1 ATOM 5314 C CG2 . ILE B 1 251 ? 193.754 -47.262 121.228 1.00 80.45 ? 279 ILE B CG2 1 ATOM 5315 C CD1 . ILE B 1 251 ? 191.793 -44.946 118.881 1.00 74.44 ? 279 ILE B CD1 1 ATOM 5316 N N . HIS B 1 252 ? 194.379 -49.189 118.791 1.00 82.05 ? 280 HIS B N 1 ATOM 5317 C CA . HIS B 1 252 ? 195.530 -49.474 117.944 1.00 73.83 ? 280 HIS B CA 1 ATOM 5318 C C . HIS B 1 252 ? 195.105 -50.141 116.637 1.00 61.66 ? 280 HIS B C 1 ATOM 5319 O O . HIS B 1 252 ? 195.641 -49.835 115.563 1.00 48.19 ? 280 HIS B O 1 ATOM 5320 C CB . HIS B 1 252 ? 196.509 -50.364 118.704 1.00 82.07 ? 280 HIS B CB 1 ATOM 5321 C CG . HIS B 1 252 ? 197.530 -51.002 117.825 1.00 74.96 ? 280 HIS B CG 1 ATOM 5322 N ND1 . HIS B 1 252 ? 197.251 -52.094 117.027 1.00 69.99 ? 280 HIS B ND1 1 ATOM 5323 C CD2 . HIS B 1 252 ? 198.825 -50.690 117.598 1.00 72.80 ? 280 HIS B CD2 1 ATOM 5324 C CE1 . HIS B 1 252 ? 198.332 -52.427 116.348 1.00 62.62 ? 280 HIS B CE1 1 ATOM 5325 N NE2 . HIS B 1 252 ? 199.302 -51.592 116.678 1.00 70.05 ? 280 HIS B NE2 1 ATOM 5326 N N . GLU B 1 253 ? 194.163 -51.081 116.716 1.00 76.46 ? 281 GLU B N 1 ATOM 5327 C CA . GLU B 1 253 ? 193.703 -51.763 115.516 1.00 63.75 ? 281 GLU B CA 1 ATOM 5328 C C . GLU B 1 253 ? 192.994 -50.797 114.577 1.00 51.93 ? 281 GLU B C 1 ATOM 5329 O O . GLU B 1 253 ? 193.255 -50.786 113.366 1.00 43.66 ? 281 GLU B O 1 ATOM 5330 C CB . GLU B 1 253 ? 192.781 -52.912 115.902 1.00 71.22 ? 281 GLU B CB 1 ATOM 5331 C CG . GLU B 1 253 ? 192.609 -53.933 114.825 1.00 60.67 ? 281 GLU B CG 1 ATOM 5332 C CD . GLU B 1 253 ? 192.175 -55.276 115.397 1.00 71.91 ? 281 GLU B CD 1 ATOM 5333 O OE1 . GLU B 1 253 ? 191.507 -55.290 116.456 1.00 82.56 ? 281 GLU B OE1 1 ATOM 5334 O OE2 . GLU B 1 253 ? 192.522 -56.309 114.786 1.00 58.45 ? 281 GLU B OE2 1 ATOM 5335 N N . GLN B 1 254 ? 192.079 -49.988 115.119 1.00 72.16 ? 282 GLN B N 1 ATOM 5336 C CA . GLN B 1 254 ? 191.432 -48.969 114.304 1.00 68.31 ? 282 GLN B CA 1 ATOM 5337 C C . GLN B 1 254 ? 192.475 -48.075 113.651 1.00 56.12 ? 282 GLN B C 1 ATOM 5338 O O . GLN B 1 254 ? 192.376 -47.760 112.458 1.00 43.27 ? 282 GLN B O 1 ATOM 5339 C CB . GLN B 1 254 ? 190.456 -48.155 115.154 1.00 73.08 ? 282 GLN B CB 1 ATOM 5340 C CG . GLN B 1 254 ? 189.635 -47.134 114.376 1.00 66.55 ? 282 GLN B CG 1 ATOM 5341 C CD . GLN B 1 254 ? 188.502 -47.756 113.573 1.00 61.25 ? 282 GLN B CD 1 ATOM 5342 O OE1 . GLN B 1 254 ? 187.784 -48.632 114.055 1.00 63.66 ? 282 GLN B OE1 1 ATOM 5343 N NE2 . GLN B 1 254 ? 188.340 -47.299 112.330 1.00 49.94 ? 282 GLN B NE2 1 ATOM 5344 N N . THR B 1 255 ? 193.526 -47.729 114.397 1.00 64.11 ? 283 THR B N 1 ATOM 5345 C CA . THR B 1 255 ? 194.591 -46.896 113.847 1.00 59.13 ? 283 THR B CA 1 ATOM 5346 C C . THR B 1 255 ? 195.260 -47.565 112.650 1.00 46.49 ? 283 THR B C 1 ATOM 5347 O O . THR B 1 255 ? 195.473 -46.927 111.609 1.00 40.53 ? 283 THR B O 1 ATOM 5348 C CB . THR B 1 255 ? 195.615 -46.574 114.940 1.00 65.79 ? 283 THR B CB 1 ATOM 5349 O OG1 . THR B 1 255 ? 194.989 -45.789 115.960 1.00 87.81 ? 283 THR B OG1 1 ATOM 5350 C CG2 . THR B 1 255 ? 196.777 -45.806 114.377 1.00 57.04 ? 283 THR B CG2 1 ATOM 5351 N N . TYR B 1 256 ? 195.619 -48.844 112.781 1.00 71.20 ? 284 TYR B N 1 ATOM 5352 C CA . TYR B 1 256 ? 196.257 -49.540 111.667 1.00 59.70 ? 284 TYR B CA 1 ATOM 5353 C C . TYR B 1 256 ? 195.302 -49.679 110.491 1.00 50.95 ? 284 TYR B C 1 ATOM 5354 O O . TYR B 1 256 ? 195.709 -49.532 109.336 1.00 48.19 ? 284 TYR B O 1 ATOM 5355 C CB . TYR B 1 256 ? 196.771 -50.911 112.118 1.00 67.59 ? 284 TYR B CB 1 ATOM 5356 C CG . TYR B 1 256 ? 197.261 -51.792 110.997 1.00 55.16 ? 284 TYR B CG 1 ATOM 5357 C CD1 . TYR B 1 256 ? 198.534 -51.634 110.457 1.00 49.29 ? 284 TYR B CD1 1 ATOM 5358 C CD2 . TYR B 1 256 ? 196.449 -52.800 110.481 1.00 47.76 ? 284 TYR B CD2 1 ATOM 5359 C CE1 . TYR B 1 256 ? 198.989 -52.448 109.415 1.00 39.78 ? 284 TYR B CE1 1 ATOM 5360 C CE2 . TYR B 1 256 ? 196.882 -53.623 109.445 1.00 43.27 ? 284 TYR B CE2 1 ATOM 5361 C CZ . TYR B 1 256 ? 198.149 -53.450 108.910 1.00 40.34 ? 284 TYR B CZ 1 ATOM 5362 O OH . TYR B 1 256 ? 198.555 -54.281 107.866 1.00 31.71 ? 284 TYR B OH 1 ATOM 5363 N N . ILE B 1 257 ? 194.029 -49.972 110.761 1.00 53.28 ? 285 ILE B N 1 ATOM 5364 C CA . ILE B 1 257 ? 193.040 -49.994 109.691 1.00 44.47 ? 285 ILE B CA 1 ATOM 5365 C C . ILE B 1 257 ? 192.993 -48.634 109.009 1.00 48.20 ? 285 ILE B C 1 ATOM 5366 O O . ILE B 1 257 ? 193.124 -48.523 107.780 1.00 45.83 ? 285 ILE B O 1 ATOM 5367 C CB . ILE B 1 257 ? 191.654 -50.389 110.233 1.00 54.46 ? 285 ILE B CB 1 ATOM 5368 C CG1 . ILE B 1 257 ? 191.675 -51.747 110.953 1.00 72.38 ? 285 ILE B CG1 1 ATOM 5369 C CG2 . ILE B 1 257 ? 190.621 -50.373 109.126 1.00 44.75 ? 285 ILE B CG2 1 ATOM 5370 C CD1 . ILE B 1 257 ? 192.182 -52.882 110.138 1.00 65.74 ? 285 ILE B CD1 1 ATOM 5371 N N . ASN B 1 258 ? 192.819 -47.575 109.803 1.00 54.65 ? 286 ASN B N 1 ATOM 5372 C CA . ASN B 1 258 ? 192.683 -46.240 109.233 1.00 49.20 ? 286 ASN B CA 1 ATOM 5373 C C . ASN B 1 258 ? 193.867 -45.907 108.341 1.00 46.01 ? 286 ASN B C 1 ATOM 5374 O O . ASN B 1 258 ? 193.693 -45.462 107.200 1.00 39.34 ? 286 ASN B O 1 ATOM 5375 C CB . ASN B 1 258 ? 192.522 -45.213 110.349 1.00 55.86 ? 286 ASN B CB 1 ATOM 5376 C CG . ASN B 1 258 ? 191.107 -45.136 110.849 1.00 66.84 ? 286 ASN B CG 1 ATOM 5377 O OD1 . ASN B 1 258 ? 190.252 -45.901 110.417 1.00 73.80 ? 286 ASN B OD1 1 ATOM 5378 N ND2 . ASN B 1 258 ? 190.845 -44.213 111.758 1.00 75.09 ? 286 ASN B ND2 1 ATOM 5379 N N . GLY B 1 259 ? 195.082 -46.167 108.824 1.00 65.07 ? 287 GLY B N 1 ATOM 5380 C CA . GLY B 1 259 ? 196.246 -45.968 107.982 1.00 62.34 ? 287 GLY B CA 1 ATOM 5381 C C . GLY B 1 259 ? 196.151 -46.756 106.693 1.00 53.74 ? 287 GLY B C 1 ATOM 5382 O O . GLY B 1 259 ? 196.358 -46.222 105.598 1.00 41.69 ? 287 GLY B O 1 ATOM 5383 N N . LEU B 1 260 ? 195.791 -48.030 106.805 1.00 66.20 ? 288 LEU B N 1 ATOM 5384 C CA . LEU B 1 260 ? 195.728 -48.890 105.632 1.00 50.52 ? 288 LEU B CA 1 ATOM 5385 C C . LEU B 1 260 ? 194.657 -48.438 104.648 1.00 42.26 ? 288 LEU B C 1 ATOM 5386 O O . LEU B 1 260 ? 194.764 -48.713 103.446 1.00 35.35 ? 288 LEU B O 1 ATOM 5387 C CB . LEU B 1 260 ? 195.488 -50.329 106.091 1.00 54.89 ? 288 LEU B CB 1 ATOM 5388 C CG . LEU B 1 260 ? 195.181 -51.459 105.118 1.00 56.71 ? 288 LEU B CG 1 ATOM 5389 C CD1 . LEU B 1 260 ? 195.566 -52.800 105.746 1.00 66.33 ? 288 LEU B CD1 1 ATOM 5390 C CD2 . LEU B 1 260 ? 193.697 -51.449 104.750 1.00 58.09 ? 288 LEU B CD2 1 ATOM 5391 N N . LEU B 1 261 ? 193.602 -47.791 105.130 1.00 42.37 ? 289 LEU B N 1 ATOM 5392 C CA . LEU B 1 261 ? 192.498 -47.385 104.273 1.00 44.72 ? 289 LEU B CA 1 ATOM 5393 C C . LEU B 1 261 ? 192.711 -46.027 103.605 1.00 50.92 ? 289 LEU B C 1 ATOM 5394 O O . LEU B 1 261 ? 191.810 -45.555 102.895 1.00 42.46 ? 289 LEU B O 1 ATOM 5395 C CB . LEU B 1 261 ? 191.194 -47.340 105.069 1.00 42.62 ? 289 LEU B CB 1 ATOM 5396 C CG . LEU B 1 261 ? 190.519 -48.648 105.445 1.00 56.81 ? 289 LEU B CG 1 ATOM 5397 C CD1 . LEU B 1 261 ? 189.340 -48.357 106.355 1.00 66.55 ? 289 LEU B CD1 1 ATOM 5398 C CD2 . LEU B 1 261 ? 190.057 -49.367 104.195 1.00 49.75 ? 289 LEU B CD2 1 ATOM 5399 N N . THR B 1 262 ? 193.848 -45.371 103.836 1.00 61.57 ? 290 THR B N 1 ATOM 5400 C CA . THR B 1 262 ? 194.030 -44.021 103.323 1.00 69.60 ? 290 THR B CA 1 ATOM 5401 C C . THR B 1 262 ? 194.103 -44.060 101.805 1.00 50.91 ? 290 THR B C 1 ATOM 5402 O O . THR B 1 262 ? 194.767 -44.928 101.225 1.00 36.61 ? 290 THR B O 1 ATOM 5403 C CB . THR B 1 262 ? 195.286 -43.377 103.911 1.00 82.76 ? 290 THR B CB 1 ATOM 5404 O OG1 . THR B 1 262 ? 196.422 -44.226 103.690 1.00 83.94 ? 290 THR B OG1 1 ATOM 5405 C CG2 . THR B 1 262 ? 195.108 -43.129 105.409 1.00 95.22 ? 290 THR B CG2 1 ATOM 5406 N N . GLY B 1 263 ? 193.391 -43.136 101.164 1.00 58.41 ? 291 GLY B N 1 ATOM 5407 C CA . GLY B 1 263 ? 193.341 -43.099 99.724 1.00 53.90 ? 291 GLY B CA 1 ATOM 5408 C C . GLY B 1 263 ? 192.381 -44.074 99.079 1.00 52.45 ? 291 GLY B C 1 ATOM 5409 O O . GLY B 1 263 ? 192.357 -44.166 97.845 1.00 49.57 ? 291 GLY B O 1 ATOM 5410 N N . TYR B 1 264 ? 191.579 -44.795 99.857 1.00 54.78 ? 292 TYR B N 1 ATOM 5411 C CA . TYR B 1 264 ? 190.534 -45.630 99.288 1.00 43.17 ? 292 TYR B CA 1 ATOM 5412 C C . TYR B 1 264 ? 189.182 -45.056 99.660 1.00 45.65 ? 292 TYR B C 1 ATOM 5413 O O . TYR B 1 264 ? 189.039 -44.327 100.644 1.00 62.31 ? 292 TYR B O 1 ATOM 5414 C CB . TYR B 1 264 ? 190.621 -47.096 99.754 1.00 38.16 ? 292 TYR B CB 1 ATOM 5415 C CG . TYR B 1 264 ? 191.893 -47.805 99.351 1.00 40.96 ? 292 TYR B CG 1 ATOM 5416 C CD1 . TYR B 1 264 ? 192.502 -47.561 98.117 1.00 50.85 ? 292 TYR B CD1 1 ATOM 5417 C CD2 . TYR B 1 264 ? 192.503 -48.696 100.211 1.00 45.20 ? 292 TYR B CD2 1 ATOM 5418 C CE1 . TYR B 1 264 ? 193.697 -48.221 97.752 1.00 49.92 ? 292 TYR B CE1 1 ATOM 5419 C CE2 . TYR B 1 264 ? 193.678 -49.357 99.867 1.00 46.79 ? 292 TYR B CE2 1 ATOM 5420 C CZ . TYR B 1 264 ? 194.275 -49.126 98.641 1.00 46.24 ? 292 TYR B CZ 1 ATOM 5421 O OH . TYR B 1 264 ? 195.462 -49.795 98.330 1.00 38.56 ? 292 TYR B OH 1 ATOM 5422 N N . SER B 1 265 ? 188.203 -45.365 98.830 1.00 32.83 ? 293 SER B N 1 ATOM 5423 C CA . SER B 1 265 ? 186.820 -44.969 99.032 1.00 43.99 ? 293 SER B CA 1 ATOM 5424 C C . SER B 1 265 ? 186.019 -46.262 99.091 1.00 49.63 ? 293 SER B C 1 ATOM 5425 O O . SER B 1 265 ? 185.868 -46.950 98.071 1.00 46.44 ? 293 SER B O 1 ATOM 5426 C CB . SER B 1 265 ? 186.361 -44.051 97.898 1.00 53.35 ? 293 SER B CB 1 ATOM 5427 O OG . SER B 1 265 ? 185.010 -43.657 98.061 1.00 80.14 ? 293 SER B OG 1 ATOM 5428 N N . SER B 1 266 ? 185.538 -46.618 100.281 1.00 42.81 ? 294 SER B N 1 ATOM 5429 C CA . SER B 1 266 ? 184.860 -47.900 100.408 1.00 43.49 ? 294 SER B CA 1 ATOM 5430 C C . SER B 1 266 ? 183.999 -47.938 101.660 1.00 52.61 ? 294 SER B C 1 ATOM 5431 O O . SER B 1 266 ? 184.187 -47.166 102.598 1.00 59.36 ? 294 SER B O 1 ATOM 5432 C CB . SER B 1 266 ? 185.866 -49.058 100.412 1.00 34.37 ? 294 SER B CB 1 ATOM 5433 O OG . SER B 1 266 ? 185.226 -50.291 100.117 1.00 35.75 ? 294 SER B OG 1 ATOM 5434 N N . THR B 1 267 ? 183.059 -48.880 101.649 1.00 39.22 ? 295 THR B N 1 ATOM 5435 C CA . THR B 1 267 ? 182.183 -49.220 102.763 1.00 47.63 ? 295 THR B CA 1 ATOM 5436 C C . THR B 1 267 ? 182.163 -50.735 102.864 1.00 42.95 ? 295 THR B C 1 ATOM 5437 O O . THR B 1 267 ? 181.751 -51.400 101.908 1.00 47.90 ? 295 THR B O 1 ATOM 5438 C CB . THR B 1 267 ? 180.766 -48.705 102.513 1.00 56.66 ? 295 THR B CB 1 ATOM 5439 O OG1 . THR B 1 267 ? 180.820 -47.312 102.212 1.00 60.64 ? 295 THR B OG1 1 ATOM 5440 C CG2 . THR B 1 267 ? 179.863 -48.971 103.730 1.00 59.05 ? 295 THR B CG2 1 ATOM 5441 N N . LEU B 1 268 ? 182.588 -51.286 104.006 1.00 46.48 ? 296 LEU B N 1 ATOM 5442 C CA . LEU B 1 268 ? 182.849 -52.721 104.083 1.00 41.52 ? 296 LEU B CA 1 ATOM 5443 C C . LEU B 1 268 ? 182.252 -53.345 105.328 1.00 52.66 ? 296 LEU B C 1 ATOM 5444 O O . LEU B 1 268 ? 182.353 -52.783 106.419 1.00 64.16 ? 296 LEU B O 1 ATOM 5445 C CB . LEU B 1 268 ? 184.350 -53.050 104.073 1.00 36.97 ? 296 LEU B CB 1 ATOM 5446 C CG . LEU B 1 268 ? 185.238 -52.502 102.964 1.00 29.69 ? 296 LEU B CG 1 ATOM 5447 C CD1 . LEU B 1 268 ? 185.973 -51.293 103.489 1.00 30.96 ? 296 LEU B CD1 1 ATOM 5448 C CD2 . LEU B 1 268 ? 186.241 -53.560 102.415 1.00 27.26 ? 296 LEU B CD2 1 ATOM 5449 N N . TRP B 1 269 ? 181.672 -54.539 105.152 1.00 37.37 ? 297 TRP B N 1 ATOM 5450 C CA . TRP B 1 269 ? 181.186 -55.335 106.274 1.00 44.28 ? 297 TRP B CA 1 ATOM 5451 C C . TRP B 1 269 ? 182.323 -55.698 107.219 1.00 45.69 ? 297 TRP B C 1 ATOM 5452 O O . TRP B 1 269 ? 183.403 -56.114 106.791 1.00 40.36 ? 297 TRP B O 1 ATOM 5453 C CB . TRP B 1 269 ? 180.549 -56.636 105.795 1.00 43.67 ? 297 TRP B CB 1 ATOM 5454 C CG . TRP B 1 269 ? 179.264 -56.552 105.059 1.00 44.20 ? 297 TRP B CG 1 ATOM 5455 C CD1 . TRP B 1 269 ? 178.986 -57.111 103.842 1.00 39.13 ? 297 TRP B CD1 1 ATOM 5456 C CD2 . TRP B 1 269 ? 178.055 -55.921 105.496 1.00 58.78 ? 297 TRP B CD2 1 ATOM 5457 N NE1 . TRP B 1 269 ? 177.687 -56.849 103.489 1.00 46.64 ? 297 TRP B NE1 1 ATOM 5458 C CE2 . TRP B 1 269 ? 177.091 -56.127 104.491 1.00 62.75 ? 297 TRP B CE2 1 ATOM 5459 C CE3 . TRP B 1 269 ? 177.695 -55.205 106.637 1.00 73.41 ? 297 TRP B CE3 1 ATOM 5460 C CZ2 . TRP B 1 269 ? 175.796 -55.630 104.588 1.00 78.26 ? 297 TRP B CZ2 1 ATOM 5461 C CZ3 . TRP B 1 269 ? 176.412 -54.710 106.730 1.00 90.50 ? 297 TRP B CZ3 1 ATOM 5462 C CH2 . TRP B 1 269 ? 175.479 -54.922 105.711 1.00 89.30 ? 297 TRP B CH2 1 ATOM 5463 N N . ILE B 1 270 ? 182.056 -55.576 108.512 1.00 41.29 ? 298 ILE B N 1 ATOM 5464 C CA . ILE B 1 270 ? 182.909 -56.096 109.568 1.00 44.34 ? 298 ILE B CA 1 ATOM 5465 C C . ILE B 1 270 ? 182.059 -56.990 110.474 1.00 61.31 ? 298 ILE B C 1 ATOM 5466 O O . ILE B 1 270 ? 180.855 -57.148 110.265 1.00 57.93 ? 298 ILE B O 1 ATOM 5467 C CB . ILE B 1 270 ? 183.587 -54.969 110.364 1.00 47.19 ? 298 ILE B CB 1 ATOM 5468 C CG1 . ILE B 1 270 ? 182.560 -54.232 111.215 1.00 66.25 ? 298 ILE B CG1 1 ATOM 5469 C CG2 . ILE B 1 270 ? 184.254 -53.987 109.405 1.00 40.64 ? 298 ILE B CG2 1 ATOM 5470 C CD1 . ILE B 1 270 ? 183.163 -53.152 112.086 1.00 71.71 ? 298 ILE B CD1 1 ATOM 5471 N N . GLY B 1 271 ? 182.697 -57.577 111.496 1.00 48.71 ? 299 GLY B N 1 ATOM 5472 C CA . GLY B 1 271 ? 182.077 -58.602 112.324 1.00 54.57 ? 299 GLY B CA 1 ATOM 5473 C C . GLY B 1 271 ? 181.094 -58.140 113.378 1.00 72.39 ? 299 GLY B C 1 ATOM 5474 O O . GLY B 1 271 ? 180.676 -58.937 114.222 1.00 85.08 ? 299 GLY B O 1 ATOM 5475 N N . LEU B 1 272 ? 180.703 -56.872 113.342 1.00 59.64 ? 300 LEU B N 1 ATOM 5476 C CA . LEU B 1 272 ? 179.876 -56.255 114.366 1.00 64.62 ? 300 LEU B CA 1 ATOM 5477 C C . LEU B 1 272 ? 178.401 -56.429 114.030 1.00 70.54 ? 300 LEU B C 1 ATOM 5478 O O . LEU B 1 272 ? 177.975 -56.113 112.914 1.00 62.33 ? 300 LEU B O 1 ATOM 5479 C CB . LEU B 1 272 ? 180.231 -54.774 114.463 1.00 65.06 ? 300 LEU B CB 1 ATOM 5480 C CG . LEU B 1 272 ? 179.680 -53.927 115.603 1.00 86.62 ? 300 LEU B CG 1 ATOM 5481 C CD1 . LEU B 1 272 ? 180.247 -54.380 116.946 1.00 87.32 ? 300 LEU B CD1 1 ATOM 5482 C CD2 . LEU B 1 272 ? 180.019 -52.479 115.315 1.00 72.14 ? 300 LEU B CD2 1 ATOM 5483 N N . ASN B 1 273 ? 177.623 -56.927 114.994 1.00 66.73 ? 301 ASN B N 1 ATOM 5484 C CA . ASN B 1 273 ? 176.208 -57.183 114.758 1.00 75.43 ? 301 ASN B CA 1 ATOM 5485 C C . ASN B 1 273 ? 175.460 -57.235 116.082 1.00 99.34 ? 301 ASN B C 1 ATOM 5486 O O . ASN B 1 273 ? 176.047 -57.498 117.134 1.00 103.15 ? 301 ASN B O 1 ATOM 5487 C CB . ASN B 1 273 ? 176.012 -58.501 114.006 1.00 71.02 ? 301 ASN B CB 1 ATOM 5488 C CG . ASN B 1 273 ? 176.418 -59.702 114.838 1.00 74.96 ? 301 ASN B CG 1 ATOM 5489 O OD1 . ASN B 1 273 ? 175.580 -60.364 115.442 1.00 90.49 ? 301 ASN B OD1 1 ATOM 5490 N ND2 . ASN B 1 273 ? 177.714 -59.969 114.897 1.00 62.37 ? 301 ASN B ND2 1 ATOM 5491 N N . ASP B 1 274 ? 174.149 -56.988 116.015 1.00 77.56 ? 302 ASP B N 1 ATOM 5492 C CA . ASP B 1 274 ? 173.213 -57.429 117.051 1.00 99.24 ? 302 ASP B CA 1 ATOM 5493 C C . ASP B 1 274 ? 172.250 -58.428 116.413 1.00 98.53 ? 302 ASP B C 1 ATOM 5494 O O . ASP B 1 274 ? 171.288 -58.036 115.748 1.00 98.41 ? 302 ASP B O 1 ATOM 5495 C CB . ASP B 1 274 ? 172.466 -56.248 117.679 1.00 114.88 ? 302 ASP B CB 1 ATOM 5496 C CG . ASP B 1 274 ? 171.953 -55.250 116.657 1.00 111.80 ? 302 ASP B CG 1 ATOM 5497 O OD1 . ASP B 1 274 ? 171.996 -55.537 115.449 1.00 95.50 ? 302 ASP B OD1 1 ATOM 5498 O OD2 . ASP B 1 274 ? 171.492 -54.168 117.072 1.00 128.24 ? 302 ASP B OD2 1 ATOM 5499 N N . LEU B 1 275 ? 172.453 -59.715 116.682 1.00 116.88 ? 303 LEU B N 1 ATOM 5500 C CA . LEU B 1 275 ? 171.708 -60.738 115.956 1.00 115.08 ? 303 LEU B CA 1 ATOM 5501 C C . LEU B 1 275 ? 171.085 -61.754 116.903 1.00 133.03 ? 303 LEU B C 1 ATOM 5502 O O . LEU B 1 275 ? 169.858 -61.889 116.951 1.00 141.34 ? 303 LEU B O 1 ATOM 5503 C CB . LEU B 1 275 ? 172.608 -61.432 114.925 1.00 91.17 ? 303 LEU B CB 1 ATOM 5504 C CG . LEU B 1 275 ? 172.292 -61.183 113.437 1.00 72.44 ? 303 LEU B CG 1 ATOM 5505 C CD1 . LEU B 1 275 ? 171.248 -60.088 113.269 1.00 82.15 ? 303 LEU B CD1 1 ATOM 5506 C CD2 . LEU B 1 275 ? 173.535 -60.840 112.614 1.00 60.78 ? 303 LEU B CD2 1 ATOM 5507 N N . ASP B 1 276 ? 171.925 -62.488 117.639 1.00 101.56 ? 304 ASP B N 1 ATOM 5508 C CA . ASP B 1 276 ? 171.418 -63.500 118.563 1.00 127.43 ? 304 ASP B CA 1 ATOM 5509 C C . ASP B 1 276 ? 170.440 -62.903 119.569 1.00 149.84 ? 304 ASP B C 1 ATOM 5510 O O . ASP B 1 276 ? 169.395 -63.499 119.858 1.00 167.76 ? 304 ASP B O 1 ATOM 5511 C CB . ASP B 1 276 ? 172.581 -64.183 119.287 1.00 131.18 ? 304 ASP B CB 1 ATOM 5512 C CG . ASP B 1 276 ? 173.318 -65.177 118.404 1.00 120.12 ? 304 ASP B CG 1 ATOM 5513 O OD1 . ASP B 1 276 ? 173.542 -64.869 117.213 1.00 107.11 ? 304 ASP B OD1 1 ATOM 5514 O OD2 . ASP B 1 276 ? 173.666 -66.271 118.899 1.00 124.29 ? 304 ASP B OD2 1 ATOM 5515 N N . THR B 1 277 ? 170.764 -61.735 120.120 1.00 117.86 ? 305 THR B N 1 ATOM 5516 C CA . THR B 1 277 ? 169.887 -61.028 121.047 1.00 135.06 ? 305 THR B CA 1 ATOM 5517 C C . THR B 1 277 ? 169.749 -59.591 120.567 1.00 139.08 ? 305 THR B C 1 ATOM 5518 O O . THR B 1 277 ? 170.738 -58.852 120.535 1.00 128.13 ? 305 THR B O 1 ATOM 5519 C CB . THR B 1 277 ? 170.433 -61.068 122.477 1.00 141.41 ? 305 THR B CB 1 ATOM 5520 O OG1 . THR B 1 277 ? 171.639 -60.300 122.548 1.00 135.21 ? 305 THR B OG1 1 ATOM 5521 C CG2 . THR B 1 277 ? 170.724 -62.502 122.902 1.00 138.22 ? 305 THR B CG2 1 ATOM 5522 N N . SER B 1 278 ? 168.525 -59.193 120.220 1.00 124.81 ? 306 SER B N 1 ATOM 5523 C CA . SER B 1 278 ? 168.301 -57.938 119.511 1.00 127.42 ? 306 SER B CA 1 ATOM 5524 C C . SER B 1 278 ? 168.797 -56.738 120.311 1.00 127.07 ? 306 SER B C 1 ATOM 5525 O O . SER B 1 278 ? 168.463 -56.570 121.486 1.00 151.57 ? 306 SER B O 1 ATOM 5526 C CB . SER B 1 278 ? 166.813 -57.782 119.188 1.00 148.95 ? 306 SER B CB 1 ATOM 5527 O OG . SER B 1 278 ? 166.351 -58.830 118.348 1.00 146.40 ? 306 SER B OG 1 ATOM 5528 N N . GLY B 1 279 ? 169.605 -55.905 119.659 1.00 139.58 ? 307 GLY B N 1 ATOM 5529 C CA . GLY B 1 279 ? 170.096 -54.664 120.208 1.00 131.86 ? 307 GLY B CA 1 ATOM 5530 C C . GLY B 1 279 ? 171.426 -54.751 120.935 1.00 117.36 ? 307 GLY B C 1 ATOM 5531 O O . GLY B 1 279 ? 172.127 -53.738 121.034 1.00 107.59 ? 307 GLY B O 1 ATOM 5532 N N . GLY B 1 280 ? 171.785 -55.918 121.467 1.00 131.47 ? 308 GLY B N 1 ATOM 5533 C CA . GLY B 1 280 ? 173.125 -56.117 121.989 1.00 127.84 ? 308 GLY B CA 1 ATOM 5534 C C . GLY B 1 280 ? 174.136 -56.272 120.858 1.00 106.63 ? 308 GLY B C 1 ATOM 5535 O O . GLY B 1 280 ? 174.046 -57.222 120.059 1.00 95.06 ? 308 GLY B O 1 ATOM 5536 N N . TRP B 1 281 ? 175.150 -55.416 120.831 1.00 120.93 ? 309 TRP B N 1 ATOM 5537 C CA . TRP B 1 281 ? 176.147 -55.459 119.774 1.00 98.10 ? 309 TRP B CA 1 ATOM 5538 C C . TRP B 1 281 ? 177.340 -56.298 120.207 1.00 87.89 ? 309 TRP B C 1 ATOM 5539 O O . TRP B 1 281 ? 177.717 -56.302 121.379 1.00 99.82 ? 309 TRP B O 1 ATOM 5540 C CB . TRP B 1 281 ? 176.599 -54.053 119.396 1.00 94.51 ? 309 TRP B CB 1 ATOM 5541 C CG . TRP B 1 281 ? 175.504 -53.186 118.870 1.00 103.52 ? 309 TRP B CG 1 ATOM 5542 C CD1 . TRP B 1 281 ? 174.753 -52.294 119.576 1.00 126.05 ? 309 TRP B CD1 1 ATOM 5543 C CD2 . TRP B 1 281 ? 175.042 -53.120 117.519 1.00 96.05 ? 309 TRP B CD2 1 ATOM 5544 N NE1 . TRP B 1 281 ? 173.851 -51.674 118.746 1.00 128.19 ? 309 TRP B NE1 1 ATOM 5545 C CE2 . TRP B 1 281 ? 174.008 -52.164 117.477 1.00 109.14 ? 309 TRP B CE2 1 ATOM 5546 C CE3 . TRP B 1 281 ? 175.404 -53.774 116.340 1.00 81.53 ? 309 TRP B CE3 1 ATOM 5547 C CZ2 . TRP B 1 281 ? 173.333 -51.847 116.302 1.00 103.45 ? 309 TRP B CZ2 1 ATOM 5548 C CZ3 . TRP B 1 281 ? 174.732 -53.458 115.173 1.00 78.53 ? 309 TRP B CZ3 1 ATOM 5549 C CH2 . TRP B 1 281 ? 173.707 -52.503 115.163 1.00 89.02 ? 309 TRP B CH2 1 ATOM 5550 N N . GLN B 1 282 ? 177.917 -57.031 119.258 1.00 92.16 ? 310 GLN B N 1 ATOM 5551 C CA . GLN B 1 282 ? 179.009 -57.944 119.569 1.00 93.28 ? 310 GLN B CA 1 ATOM 5552 C C . GLN B 1 282 ? 179.814 -58.219 118.305 1.00 75.02 ? 310 GLN B C 1 ATOM 5553 O O . GLN B 1 282 ? 179.348 -57.985 117.184 1.00 66.32 ? 310 GLN B O 1 ATOM 5554 C CB . GLN B 1 282 ? 178.479 -59.250 120.168 1.00 107.59 ? 310 GLN B CB 1 ATOM 5555 C CG . GLN B 1 282 ? 177.413 -59.917 119.319 1.00 106.95 ? 310 GLN B CG 1 ATOM 5556 C CD . GLN B 1 282 ? 176.804 -61.128 119.991 1.00 129.10 ? 310 GLN B CD 1 ATOM 5557 O OE1 . GLN B 1 282 ? 176.960 -61.327 121.195 1.00 142.62 ? 310 GLN B OE1 1 ATOM 5558 N NE2 . GLN B 1 282 ? 176.107 -61.950 119.212 1.00 125.82 ? 310 GLN B NE2 1 ATOM 5559 N N . TRP B 1 283 ? 181.029 -58.722 118.505 1.00 94.52 ? 311 TRP B N 1 ATOM 5560 C CA . TRP B 1 283 ? 181.881 -59.162 117.411 1.00 73.00 ? 311 TRP B CA 1 ATOM 5561 C C . TRP B 1 283 ? 181.588 -60.618 117.074 1.00 79.97 ? 311 TRP B C 1 ATOM 5562 O O . TRP B 1 283 ? 181.370 -61.438 117.969 1.00 97.24 ? 311 TRP B O 1 ATOM 5563 C CB . TRP B 1 283 ? 183.356 -59.006 117.772 1.00 67.77 ? 311 TRP B CB 1 ATOM 5564 C CG . TRP B 1 283 ? 183.799 -57.583 117.909 1.00 72.67 ? 311 TRP B CG 1 ATOM 5565 C CD1 . TRP B 1 283 ? 184.235 -56.965 119.043 1.00 79.29 ? 311 TRP B CD1 1 ATOM 5566 C CD2 . TRP B 1 283 ? 183.857 -56.597 116.869 1.00 61.38 ? 311 TRP B CD2 1 ATOM 5567 N NE1 . TRP B 1 283 ? 184.557 -55.656 118.776 1.00 81.73 ? 311 TRP B NE1 1 ATOM 5568 C CE2 . TRP B 1 283 ? 184.333 -55.405 117.448 1.00 69.85 ? 311 TRP B CE2 1 ATOM 5569 C CE3 . TRP B 1 283 ? 183.545 -56.606 115.510 1.00 55.79 ? 311 TRP B CE3 1 ATOM 5570 C CZ2 . TRP B 1 283 ? 184.513 -54.233 116.708 1.00 61.22 ? 311 TRP B CZ2 1 ATOM 5571 C CZ3 . TRP B 1 283 ? 183.723 -55.444 114.779 1.00 53.56 ? 311 TRP B CZ3 1 ATOM 5572 C CH2 . TRP B 1 283 ? 184.200 -54.274 115.380 1.00 54.11 ? 311 TRP B CH2 1 ATOM 5573 N N . SER B 1 284 ? 181.599 -60.938 115.774 1.00 79.31 ? 312 SER B N 1 ATOM 5574 C CA . SER B 1 284 ? 181.295 -62.299 115.350 1.00 70.14 ? 312 SER B CA 1 ATOM 5575 C C . SER B 1 284 ? 182.384 -63.279 115.766 1.00 72.49 ? 312 SER B C 1 ATOM 5576 O O . SER B 1 284 ? 182.110 -64.471 115.933 1.00 84.60 ? 312 SER B O 1 ATOM 5577 C CB . SER B 1 284 ? 181.074 -62.346 113.835 1.00 57.55 ? 312 SER B CB 1 ATOM 5578 O OG . SER B 1 284 ? 182.297 -62.326 113.111 1.00 51.85 ? 312 SER B OG 1 ATOM 5579 N N . ASP B 1 285 ? 183.610 -62.806 115.956 1.00 61.39 ? 313 ASP B N 1 ATOM 5580 C CA . ASP B 1 285 ? 184.715 -63.662 116.366 1.00 64.30 ? 313 ASP B CA 1 ATOM 5581 C C . ASP B 1 285 ? 184.810 -63.795 117.882 1.00 81.38 ? 313 ASP B C 1 ATOM 5582 O O . ASP B 1 285 ? 185.740 -64.439 118.381 1.00 84.35 ? 313 ASP B O 1 ATOM 5583 C CB . ASP B 1 285 ? 186.038 -63.134 115.787 1.00 55.46 ? 313 ASP B CB 1 ATOM 5584 C CG . ASP B 1 285 ? 186.538 -61.881 116.498 1.00 60.12 ? 313 ASP B CG 1 ATOM 5585 O OD1 . ASP B 1 285 ? 185.731 -61.194 117.172 1.00 75.32 ? 313 ASP B OD1 1 ATOM 5586 O OD2 . ASP B 1 285 ? 187.751 -61.584 116.391 1.00 54.74 ? 313 ASP B OD2 1 ATOM 5587 N N . ASN B 1 286 ? 183.864 -63.197 118.608 1.00 63.84 ? 314 ASN B N 1 ATOM 5588 C CA . ASN B 1 286 ? 183.768 -63.288 120.065 1.00 70.55 ? 314 ASN B CA 1 ATOM 5589 C C . ASN B 1 286 ? 184.979 -62.665 120.757 1.00 84.08 ? 314 ASN B C 1 ATOM 5590 O O . ASN B 1 286 ? 185.594 -63.250 121.651 1.00 94.23 ? 314 ASN B O 1 ATOM 5591 C CB . ASN B 1 286 ? 183.544 -64.733 120.519 1.00 85.28 ? 314 ASN B CB 1 ATOM 5592 C CG . ASN B 1 286 ? 182.083 -65.126 120.474 1.00 93.31 ? 314 ASN B CG 1 ATOM 5593 O OD1 . ASN B 1 286 ? 181.293 -64.700 121.317 1.00 113.19 ? 314 ASN B OD1 1 ATOM 5594 N ND2 . ASN B 1 286 ? 181.711 -65.930 119.484 1.00 81.28 ? 314 ASN B ND2 1 ATOM 5595 N N . SER B 1 287 ? 185.301 -61.488 120.344 1.00 86.46 ? 315 SER B N 1 ATOM 5596 C CA . SER B 1 287 ? 186.175 -60.508 120.968 1.00 85.29 ? 315 SER B CA 1 ATOM 5597 C C . SER B 1 287 ? 185.356 -59.631 121.909 1.00 92.29 ? 315 SER B C 1 ATOM 5598 O O . SER B 1 287 ? 184.195 -59.323 121.616 1.00 94.66 ? 315 SER B O 1 ATOM 5599 C CB . SER B 1 287 ? 186.853 -59.629 119.914 1.00 67.50 ? 315 SER B CB 1 ATOM 5600 O OG . SER B 1 287 ? 188.023 -60.231 119.373 1.00 58.85 ? 315 SER B OG 1 ATOM 5601 N N . PRO B 1 288 ? 185.916 -59.235 123.050 1.00 77.18 ? 316 PRO B N 1 ATOM 5602 C CA . PRO B 1 288 ? 185.189 -58.323 123.936 1.00 93.00 ? 316 PRO B CA 1 ATOM 5603 C C . PRO B 1 288 ? 184.967 -56.998 123.232 1.00 92.49 ? 316 PRO B C 1 ATOM 5604 O O . PRO B 1 288 ? 185.729 -56.615 122.340 1.00 75.84 ? 316 PRO B O 1 ATOM 5605 C CB . PRO B 1 288 ? 186.125 -58.173 125.139 1.00 100.34 ? 316 PRO B CB 1 ATOM 5606 C CG . PRO B 1 288 ? 187.482 -58.492 124.600 1.00 94.97 ? 316 PRO B CG 1 ATOM 5607 C CD . PRO B 1 288 ? 187.270 -59.535 123.544 1.00 76.11 ? 316 PRO B CD 1 ATOM 5608 N N . LEU B 1 289 ? 183.935 -56.270 123.648 1.00 90.13 ? 317 LEU B N 1 ATOM 5609 C CA . LEU B 1 289 ? 183.651 -55.002 122.989 1.00 81.88 ? 317 LEU B CA 1 ATOM 5610 C C . LEU B 1 289 ? 184.293 -53.923 123.859 1.00 92.12 ? 317 LEU B C 1 ATOM 5611 O O . LEU B 1 289 ? 183.645 -53.285 124.686 1.00 94.32 ? 317 LEU B O 1 ATOM 5612 C CB . LEU B 1 289 ? 182.140 -54.830 122.841 1.00 86.63 ? 317 LEU B CB 1 ATOM 5613 C CG . LEU B 1 289 ? 181.508 -53.641 122.115 1.00 82.89 ? 317 LEU B CG 1 ATOM 5614 C CD1 . LEU B 1 289 ? 181.770 -53.705 120.630 1.00 73.80 ? 317 LEU B CD1 1 ATOM 5615 C CD2 . LEU B 1 289 ? 180.018 -53.594 122.387 1.00 96.26 ? 317 LEU B CD2 1 ATOM 5616 N N . LYS B 1 290 ? 185.567 -53.654 123.571 1.00 86.91 ? 318 LYS B N 1 ATOM 5617 C CA . LYS B 1 290 ? 186.407 -52.681 124.256 1.00 98.33 ? 318 LYS B CA 1 ATOM 5618 C C . LYS B 1 290 ? 186.293 -51.291 123.651 1.00 91.12 ? 318 LYS B C 1 ATOM 5619 O O . LYS B 1 290 ? 186.353 -50.288 124.373 1.00 105.28 ? 318 LYS B O 1 ATOM 5620 C CB . LYS B 1 290 ? 187.866 -53.149 124.228 1.00 97.32 ? 318 LYS B CB 1 ATOM 5621 C CG . LYS B 1 290 ? 188.863 -52.185 124.863 1.00 106.73 ? 318 LYS B CG 1 ATOM 5622 C CD . LYS B 1 290 ? 190.295 -52.681 124.689 1.00 102.95 ? 318 LYS B CD 1 ATOM 5623 C CE . LYS B 1 290 ? 190.390 -54.194 124.889 1.00 108.15 ? 318 LYS B CE 1 ATOM 5624 N NZ . LYS B 1 290 ? 191.778 -54.707 124.704 1.00 102.10 ? 318 LYS B NZ 1 ATOM 5625 N N . TYR B 1 291 ? 186.143 -51.228 122.330 1.00 116.50 ? 319 TYR B N 1 ATOM 5626 C CA . TYR B 1 291 ? 186.299 -50.007 121.560 1.00 103.36 ? 319 TYR B CA 1 ATOM 5627 C C . TYR B 1 291 ? 185.083 -49.816 120.670 1.00 93.65 ? 319 TYR B C 1 ATOM 5628 O O . TYR B 1 291 ? 184.538 -50.785 120.138 1.00 90.31 ? 319 TYR B O 1 ATOM 5629 C CB . TYR B 1 291 ? 187.579 -50.074 120.724 1.00 84.92 ? 319 TYR B CB 1 ATOM 5630 C CG . TYR B 1 291 ? 187.806 -48.880 119.843 1.00 75.11 ? 319 TYR B CG 1 ATOM 5631 C CD1 . TYR B 1 291 ? 188.403 -47.737 120.345 1.00 75.79 ? 319 TYR B CD1 1 ATOM 5632 C CD2 . TYR B 1 291 ? 187.433 -48.899 118.496 1.00 64.12 ? 319 TYR B CD2 1 ATOM 5633 C CE1 . TYR B 1 291 ? 188.618 -46.631 119.546 1.00 72.72 ? 319 TYR B CE1 1 ATOM 5634 C CE2 . TYR B 1 291 ? 187.649 -47.785 117.671 1.00 58.89 ? 319 TYR B CE2 1 ATOM 5635 C CZ . TYR B 1 291 ? 188.242 -46.660 118.210 1.00 63.07 ? 319 TYR B CZ 1 ATOM 5636 O OH . TYR B 1 291 ? 188.457 -45.557 117.427 1.00 57.44 ? 319 TYR B OH 1 ATOM 5637 N N . LEU B 1 292 ? 184.634 -48.572 120.543 1.00 77.17 ? 320 LEU B N 1 ATOM 5638 C CA . LEU B 1 292 ? 183.503 -48.241 119.683 1.00 81.37 ? 320 LEU B CA 1 ATOM 5639 C C . LEU B 1 292 ? 183.840 -46.986 118.890 1.00 72.99 ? 320 LEU B C 1 ATOM 5640 O O . LEU B 1 292 ? 184.124 -45.935 119.476 1.00 81.91 ? 320 LEU B O 1 ATOM 5641 C CB . LEU B 1 292 ? 182.220 -48.042 120.495 1.00 106.01 ? 320 LEU B CB 1 ATOM 5642 C CG . LEU B 1 292 ? 181.553 -49.293 121.077 1.00 119.99 ? 320 LEU B CG 1 ATOM 5643 C CD1 . LEU B 1 292 ? 182.233 -49.745 122.358 1.00 129.97 ? 320 LEU B CD1 1 ATOM 5644 C CD2 . LEU B 1 292 ? 180.075 -49.054 121.323 1.00 136.35 ? 320 LEU B CD2 1 ATOM 5645 N N . ASN B 1 293 ? 183.863 -47.110 117.566 1.00 84.77 ? 321 ASN B N 1 ATOM 5646 C CA . ASN B 1 293 ? 184.072 -45.988 116.661 1.00 81.37 ? 321 ASN B CA 1 ATOM 5647 C C . ASN B 1 293 ? 182.789 -45.479 116.004 1.00 83.42 ? 321 ASN B C 1 ATOM 5648 O O . ASN B 1 293 ? 182.864 -44.917 114.908 1.00 74.84 ? 321 ASN B O 1 ATOM 5649 C CB . ASN B 1 293 ? 185.124 -46.305 115.603 1.00 68.30 ? 321 ASN B CB 1 ATOM 5650 C CG . ASN B 1 293 ? 185.986 -45.098 115.293 1.00 64.42 ? 321 ASN B CG 1 ATOM 5651 O OD1 . ASN B 1 293 ? 185.862 -44.055 115.943 1.00 75.04 ? 321 ASN B OD1 1 ATOM 5652 N ND2 . ASN B 1 293 ? 186.862 -45.225 114.305 1.00 50.38 ? 321 ASN B ND2 1 ATOM 5653 N N . TRP B 1 294 ? 181.618 -45.786 116.561 1.00 81.64 ? 322 TRP B N 1 ATOM 5654 C CA . TRP B 1 294 ? 180.364 -45.321 115.972 1.00 85.03 ? 322 TRP B CA 1 ATOM 5655 C C . TRP B 1 294 ? 180.426 -43.840 115.613 1.00 93.98 ? 322 TRP B C 1 ATOM 5656 O O . TRP B 1 294 ? 181.021 -43.028 116.327 1.00 95.41 ? 322 TRP B O 1 ATOM 5657 C CB . TRP B 1 294 ? 179.200 -45.529 116.940 1.00 98.62 ? 322 TRP B CB 1 ATOM 5658 C CG . TRP B 1 294 ? 178.892 -46.931 117.266 1.00 107.14 ? 322 TRP B CG 1 ATOM 5659 C CD1 . TRP B 1 294 ? 179.103 -47.555 118.454 1.00 114.18 ? 322 TRP B CD1 1 ATOM 5660 C CD2 . TRP B 1 294 ? 178.294 -47.900 116.401 1.00 104.67 ? 322 TRP B CD2 1 ATOM 5661 N NE1 . TRP B 1 294 ? 178.678 -48.858 118.386 1.00 116.04 ? 322 TRP B NE1 1 ATOM 5662 C CE2 . TRP B 1 294 ? 178.179 -49.096 117.133 1.00 110.30 ? 322 TRP B CE2 1 ATOM 5663 C CE3 . TRP B 1 294 ? 177.851 -47.874 115.074 1.00 93.43 ? 322 TRP B CE3 1 ATOM 5664 C CZ2 . TRP B 1 294 ? 177.637 -50.257 116.586 1.00 104.15 ? 322 TRP B CZ2 1 ATOM 5665 C CZ3 . TRP B 1 294 ? 177.314 -49.027 114.532 1.00 85.80 ? 322 TRP B CZ3 1 ATOM 5666 C CH2 . TRP B 1 294 ? 177.210 -50.201 115.287 1.00 92.92 ? 322 TRP B CH2 1 ATOM 5667 N N . GLU B 1 295 ? 179.832 -43.501 114.473 1.00 111.03 ? 323 GLU B N 1 ATOM 5668 C CA . GLU B 1 295 ? 179.663 -42.107 114.100 1.00 122.81 ? 323 GLU B CA 1 ATOM 5669 C C . GLU B 1 295 ? 178.689 -41.421 115.055 1.00 148.14 ? 323 GLU B C 1 ATOM 5670 O O . GLU B 1 295 ? 177.901 -42.065 115.754 1.00 166.67 ? 323 GLU B O 1 ATOM 5671 C CB . GLU B 1 295 ? 179.171 -41.997 112.659 1.00 110.64 ? 323 GLU B CB 1 ATOM 5672 C CG . GLU B 1 295 ? 180.121 -42.625 111.652 1.00 89.20 ? 323 GLU B CG 1 ATOM 5673 C CD . GLU B 1 295 ? 179.541 -42.697 110.250 1.00 78.81 ? 323 GLU B CD 1 ATOM 5674 O OE1 . GLU B 1 295 ? 178.417 -42.191 110.039 1.00 93.63 ? 323 GLU B OE1 1 ATOM 5675 O OE2 . GLU B 1 295 ? 180.208 -43.267 109.362 1.00 57.82 ? 323 GLU B OE2 1 ATOM 5676 N N . SER B 1 296 ? 178.752 -40.087 115.072 1.00 113.32 ? 324 SER B N 1 ATOM 5677 C CA . SER B 1 296 ? 178.024 -39.299 116.062 1.00 134.31 ? 324 SER B CA 1 ATOM 5678 C C . SER B 1 296 ? 176.528 -39.583 116.059 1.00 161.34 ? 324 SER B C 1 ATOM 5679 O O . SER B 1 296 ? 175.847 -39.271 117.042 1.00 159.56 ? 324 SER B O 1 ATOM 5680 C CB . SER B 1 296 ? 178.276 -37.813 115.820 1.00 126.02 ? 324 SER B CB 1 ATOM 5681 O OG . SER B 1 296 ? 179.665 -37.542 115.832 1.00 109.26 ? 324 SER B OG 1 ATOM 5682 N N . ASP B 1 297 ? 176.004 -40.158 114.980 1.00 117.37 ? 325 ASP B N 1 ATOM 5683 C CA . ASP B 1 297 ? 174.617 -40.604 114.939 1.00 142.50 ? 325 ASP B CA 1 ATOM 5684 C C . ASP B 1 297 ? 174.505 -42.075 115.328 1.00 126.63 ? 325 ASP B C 1 ATOM 5685 O O . ASP B 1 297 ? 173.888 -42.414 116.342 1.00 147.34 ? 325 ASP B O 1 ATOM 5686 C CB . ASP B 1 297 ? 174.034 -40.370 113.542 1.00 158.08 ? 325 ASP B CB 1 ATOM 5687 C CG . ASP B 1 297 ? 174.289 -38.969 113.034 1.00 172.11 ? 325 ASP B CG 1 ATOM 5688 O OD1 . ASP B 1 297 ? 174.462 -38.055 113.868 1.00 188.34 ? 325 ASP B OD1 1 ATOM 5689 O OD2 . ASP B 1 297 ? 174.317 -38.782 111.800 1.00 165.44 ? 325 ASP B OD2 1 ATOM 5690 N N . GLN B 1 298 ? 175.112 -42.948 114.532 1.00 157.30 ? 326 GLN B N 1 ATOM 5691 C CA . GLN B 1 298 ? 174.977 -44.397 114.655 1.00 130.28 ? 326 GLN B CA 1 ATOM 5692 C C . GLN B 1 298 ? 175.366 -44.930 116.037 1.00 123.54 ? 326 GLN B C 1 ATOM 5693 O O . GLN B 1 298 ? 176.149 -44.298 116.745 1.00 126.27 ? 326 GLN B O 1 ATOM 5694 C CB . GLN B 1 298 ? 175.829 -45.069 113.576 1.00 107.12 ? 326 GLN B CB 1 ATOM 5695 C CG . GLN B 1 298 ? 176.031 -44.209 112.330 1.00 98.25 ? 326 GLN B CG 1 ATOM 5696 C CD . GLN B 1 298 ? 174.823 -44.197 111.403 1.00 95.18 ? 326 GLN B CD 1 ATOM 5697 O OE1 . GLN B 1 298 ? 174.280 -45.251 111.054 1.00 90.77 ? 326 GLN B OE1 1 ATOM 5698 N NE2 . GLN B 1 298 ? 174.400 -43.000 110.996 1.00 96.57 ? 326 GLN B NE2 1 ATOM 5699 N N . PRO B 1 299 ? 174.816 -46.097 116.431 1.00 106.91 ? 327 PRO B N 1 ATOM 5700 C CA . PRO B 1 299 ? 173.854 -46.946 115.710 1.00 103.51 ? 327 PRO B CA 1 ATOM 5701 C C . PRO B 1 299 ? 172.467 -46.328 115.581 1.00 120.65 ? 327 PRO B C 1 ATOM 5702 O O . PRO B 1 299 ? 171.964 -45.716 116.520 1.00 135.76 ? 327 PRO B O 1 ATOM 5703 C CB . PRO B 1 299 ? 173.782 -48.217 116.567 1.00 105.42 ? 327 PRO B CB 1 ATOM 5704 C CG . PRO B 1 299 ? 174.966 -48.169 117.452 1.00 107.30 ? 327 PRO B CG 1 ATOM 5705 C CD . PRO B 1 299 ? 175.252 -46.724 117.687 1.00 114.97 ? 327 PRO B CD 1 ATOM 5706 N N . ASP B 1 300 ? 171.861 -46.501 114.416 1.00 105.44 ? 328 ASP B N 1 ATOM 5707 C CA . ASP B 1 300 ? 170.532 -45.997 114.117 1.00 126.24 ? 328 ASP B CA 1 ATOM 5708 C C . ASP B 1 300 ? 169.571 -47.165 113.971 1.00 140.79 ? 328 ASP B C 1 ATOM 5709 O O . ASP B 1 300 ? 169.944 -48.328 114.144 1.00 133.24 ? 328 ASP B O 1 ATOM 5710 C CB . ASP B 1 300 ? 170.540 -45.157 112.836 1.00 117.31 ? 328 ASP B CB 1 ATOM 5711 C CG . ASP B 1 300 ? 171.253 -43.833 113.006 1.00 117.32 ? 328 ASP B CG 1 ATOM 5712 O OD1 . ASP B 1 300 ? 171.928 -43.649 114.039 1.00 126.07 ? 328 ASP B OD1 1 ATOM 5713 O OD2 . ASP B 1 300 ? 171.143 -42.976 112.102 1.00 110.74 ? 328 ASP B OD2 1 ATOM 5714 N N . ASN B 1 301 ? 168.314 -46.825 113.680 1.00 132.80 ? 329 ASN B N 1 ATOM 5715 C CA . ASN B 1 301 ? 167.274 -47.704 113.154 1.00 142.13 ? 329 ASN B CA 1 ATOM 5716 C C . ASN B 1 301 ? 167.387 -49.140 113.659 1.00 134.19 ? 329 ASN B C 1 ATOM 5717 O O . ASN B 1 301 ? 167.611 -50.056 112.859 1.00 122.10 ? 329 ASN B O 1 ATOM 5718 C CB . ASN B 1 301 ? 167.325 -47.676 111.625 1.00 134.06 ? 329 ASN B CB 1 ATOM 5719 C CG . ASN B 1 301 ? 167.460 -46.265 111.073 1.00 136.86 ? 329 ASN B CG 1 ATOM 5720 O OD1 . ASN B 1 301 ? 166.826 -45.331 111.565 1.00 137.60 ? 329 ASN B OD1 1 ATOM 5721 N ND2 . ASN B 1 301 ? 168.298 -46.103 110.054 1.00 137.46 ? 329 ASN B ND2 1 ATOM 5722 N N . PRO B 1 302 ? 167.258 -49.379 114.965 1.00 133.36 ? 330 PRO B N 1 ATOM 5723 C CA . PRO B 1 302 ? 167.400 -50.747 115.479 1.00 125.70 ? 330 PRO B CA 1 ATOM 5724 C C . PRO B 1 302 ? 166.306 -51.668 114.956 1.00 121.20 ? 330 PRO B C 1 ATOM 5725 O O . PRO B 1 302 ? 165.251 -51.228 114.495 1.00 131.48 ? 330 PRO B O 1 ATOM 5726 C CB . PRO B 1 302 ? 167.302 -50.570 116.997 1.00 148.04 ? 330 PRO B CB 1 ATOM 5727 C CG . PRO B 1 302 ? 166.577 -49.280 117.185 1.00 163.86 ? 330 PRO B CG 1 ATOM 5728 C CD . PRO B 1 302 ? 166.987 -48.409 116.040 1.00 148.65 ? 330 PRO B CD 1 ATOM 5729 N N . SER B 1 303 ? 166.591 -52.971 115.011 1.00 123.98 ? 331 SER B N 1 ATOM 5730 C CA . SER B 1 303 ? 165.746 -54.021 114.437 1.00 124.10 ? 331 SER B CA 1 ATOM 5731 C C . SER B 1 303 ? 165.502 -53.798 112.950 1.00 122.61 ? 331 SER B C 1 ATOM 5732 O O . SER B 1 303 ? 164.541 -54.328 112.384 1.00 122.62 ? 331 SER B O 1 ATOM 5733 C CB . SER B 1 303 ? 164.411 -54.152 115.182 1.00 142.94 ? 331 SER B CB 1 ATOM 5734 O OG . SER B 1 303 ? 164.512 -55.068 116.260 1.00 147.04 ? 331 SER B OG 1 ATOM 5735 N N . GLU B 1 304 ? 166.375 -53.017 112.318 1.00 132.10 ? 332 GLU B N 1 ATOM 5736 C CA . GLU B 1 304 ? 166.360 -52.759 110.886 1.00 130.56 ? 332 GLU B CA 1 ATOM 5737 C C . GLU B 1 304 ? 167.766 -52.984 110.341 1.00 95.16 ? 332 GLU B C 1 ATOM 5738 O O . GLU B 1 304 ? 167.975 -53.844 109.478 1.00 84.70 ? 332 GLU B O 1 ATOM 5739 C CB . GLU B 1 304 ? 165.857 -51.343 110.584 1.00 158.25 ? 332 GLU B CB 1 ATOM 5740 C CG . GLU B 1 304 ? 164.355 -51.161 110.780 1.00 195.43 ? 332 GLU B CG 1 ATOM 5741 C CD . GLU B 1 304 ? 163.879 -49.752 110.466 1.00 215.03 ? 332 GLU B CD 1 ATOM 5742 O OE1 . GLU B 1 304 ? 164.403 -48.794 111.073 1.00 224.57 ? 332 GLU B OE1 1 ATOM 5743 O OE2 . GLU B 1 304 ? 162.982 -49.601 109.610 1.00 220.03 ? 332 GLU B OE2 1 ATOM 5744 N N . GLU B 1 305 ? 168.734 -52.206 110.829 1.00 129.52 ? 333 GLU B N 1 ATOM 5745 C CA . GLU B 1 305 ? 170.131 -52.353 110.431 1.00 92.86 ? 333 GLU B CA 1 ATOM 5746 C C . GLU B 1 305 ? 170.877 -53.084 111.544 1.00 82.98 ? 333 GLU B C 1 ATOM 5747 O O . GLU B 1 305 ? 171.269 -52.480 112.542 1.00 87.11 ? 333 GLU B O 1 ATOM 5748 C CB . GLU B 1 305 ? 170.739 -50.979 110.168 1.00 84.24 ? 333 GLU B CB 1 ATOM 5749 C CG . GLU B 1 305 ? 170.000 -50.149 109.128 1.00 87.10 ? 333 GLU B CG 1 ATOM 5750 C CD . GLU B 1 305 ? 170.573 -48.748 108.982 1.00 90.79 ? 333 GLU B CD 1 ATOM 5751 O OE1 . GLU B 1 305 ? 171.026 -48.185 110.002 1.00 98.03 ? 333 GLU B OE1 1 ATOM 5752 O OE2 . GLU B 1 305 ? 170.578 -48.213 107.847 1.00 83.44 ? 333 GLU B OE2 1 ATOM 5753 N N . ASN B 1 306 ? 171.127 -54.376 111.341 1.00 78.88 ? 334 ASN B N 1 ATOM 5754 C CA . ASN B 1 306 ? 171.720 -55.232 112.364 1.00 86.48 ? 334 ASN B CA 1 ATOM 5755 C C . ASN B 1 306 ? 173.199 -55.567 112.170 1.00 78.32 ? 334 ASN B C 1 ATOM 5756 O O . ASN B 1 306 ? 173.758 -56.284 113.006 1.00 80.66 ? 334 ASN B O 1 ATOM 5757 C CB . ASN B 1 306 ? 170.910 -56.520 112.481 1.00 95.97 ? 334 ASN B CB 1 ATOM 5758 C CG . ASN B 1 306 ? 169.550 -56.280 113.096 1.00 112.56 ? 334 ASN B CG 1 ATOM 5759 O OD1 . ASN B 1 306 ? 168.520 -56.598 112.505 1.00 119.22 ? 334 ASN B OD1 1 ATOM 5760 N ND2 . ASN B 1 306 ? 169.542 -55.690 114.284 1.00 119.53 ? 334 ASN B ND2 1 ATOM 5761 N N . CYS B 1 307 ? 173.850 -55.100 111.102 1.00 91.82 ? 335 CYS B N 1 ATOM 5762 C CA . CYS B 1 307 ? 175.236 -55.476 110.840 1.00 80.43 ? 335 CYS B CA 1 ATOM 5763 C C . CYS B 1 307 ? 176.089 -54.234 110.627 1.00 69.06 ? 335 CYS B C 1 ATOM 5764 O O . CYS B 1 307 ? 175.622 -53.241 110.065 1.00 75.57 ? 335 CYS B O 1 ATOM 5765 C CB . CYS B 1 307 ? 175.341 -56.409 109.623 1.00 68.56 ? 335 CYS B CB 1 ATOM 5766 S SG . CYS B 1 307 ? 174.501 -58.013 109.835 1.00 78.06 ? 335 CYS B SG 1 ATOM 5767 N N . GLY B 1 308 ? 177.341 -54.293 111.083 1.00 82.99 ? 336 GLY B N 1 ATOM 5768 C CA . GLY B 1 308 ? 178.212 -53.130 111.060 1.00 76.66 ? 336 GLY B CA 1 ATOM 5769 C C . GLY B 1 308 ? 179.077 -53.002 109.814 1.00 56.10 ? 336 GLY B C 1 ATOM 5770 O O . GLY B 1 308 ? 179.445 -53.982 109.174 1.00 48.49 ? 336 GLY B O 1 ATOM 5771 N N . VAL B 1 309 ? 179.406 -51.758 109.475 1.00 71.64 ? 337 VAL B N 1 ATOM 5772 C CA . VAL B 1 309 ? 180.312 -51.465 108.377 1.00 52.62 ? 337 VAL B CA 1 ATOM 5773 C C . VAL B 1 309 ? 181.312 -50.427 108.849 1.00 54.26 ? 337 VAL B C 1 ATOM 5774 O O . VAL B 1 309 ? 181.060 -49.665 109.783 1.00 67.83 ? 337 VAL B O 1 ATOM 5775 C CB . VAL B 1 309 ? 179.595 -50.956 107.105 1.00 48.70 ? 337 VAL B CB 1 ATOM 5776 C CG1 . VAL B 1 309 ? 178.609 -51.970 106.600 1.00 48.68 ? 337 VAL B CG1 1 ATOM 5777 C CG2 . VAL B 1 309 ? 178.911 -49.623 107.373 1.00 60.71 ? 337 VAL B CG2 1 ATOM 5778 N N . ILE B 1 310 ? 182.465 -50.412 108.191 1.00 59.28 ? 338 ILE B N 1 ATOM 5779 C CA . ILE B 1 310 ? 183.437 -49.342 108.335 1.00 58.30 ? 338 ILE B CA 1 ATOM 5780 C C . ILE B 1 310 ? 183.417 -48.545 107.041 1.00 57.39 ? 338 ILE B C 1 ATOM 5781 O O . ILE B 1 310 ? 183.237 -49.111 105.953 1.00 46.81 ? 338 ILE B O 1 ATOM 5782 C CB . ILE B 1 310 ? 184.840 -49.891 108.658 1.00 55.58 ? 338 ILE B CB 1 ATOM 5783 C CG1 . ILE B 1 310 ? 185.840 -48.751 108.864 1.00 54.36 ? 338 ILE B CG1 1 ATOM 5784 C CG2 . ILE B 1 310 ? 185.314 -50.846 107.577 1.00 40.44 ? 338 ILE B CG2 1 ATOM 5785 C CD1 . ILE B 1 310 ? 187.030 -49.145 109.728 1.00 55.63 ? 338 ILE B CD1 1 ATOM 5786 N N . ARG B 1 311 ? 183.551 -47.228 107.155 1.00 57.45 ? 339 ARG B N 1 ATOM 5787 C CA . ARG B 1 311 ? 183.486 -46.363 105.986 1.00 46.30 ? 339 ARG B CA 1 ATOM 5788 C C . ARG B 1 311 ? 184.731 -45.501 105.931 1.00 45.58 ? 339 ARG B C 1 ATOM 5789 O O . ARG B 1 311 ? 185.118 -44.906 106.944 1.00 51.08 ? 339 ARG B O 1 ATOM 5790 C CB . ARG B 1 311 ? 182.232 -45.498 106.006 1.00 61.60 ? 339 ARG B CB 1 ATOM 5791 C CG . ARG B 1 311 ? 180.968 -46.290 105.778 1.00 71.52 ? 339 ARG B CG 1 ATOM 5792 C CD . ARG B 1 311 ? 179.728 -45.512 106.150 1.00 90.06 ? 339 ARG B CD 1 ATOM 5793 N NE . ARG B 1 311 ? 179.516 -44.336 105.314 1.00 98.73 ? 339 ARG B NE 1 ATOM 5794 C CZ . ARG B 1 311 ? 179.807 -43.095 105.686 1.00 116.51 ? 339 ARG B CZ 1 ATOM 5795 N NH1 . ARG B 1 311 ? 180.326 -42.867 106.884 1.00 124.75 ? 339 ARG B NH1 1 ATOM 5796 N NH2 . ARG B 1 311 ? 179.578 -42.083 104.864 1.00 121.05 ? 339 ARG B NH2 1 ATOM 5797 N N . THR B 1 312 ? 185.371 -45.464 104.752 1.00 60.79 ? 340 THR B N 1 ATOM 5798 C CA . THR B 1 312 ? 186.459 -44.518 104.530 1.00 62.29 ? 340 THR B CA 1 ATOM 5799 C C . THR B 1 312 ? 185.963 -43.073 104.591 1.00 77.35 ? 340 THR B C 1 ATOM 5800 O O . THR B 1 312 ? 186.725 -42.173 104.964 1.00 73.95 ? 340 THR B O 1 ATOM 5801 C CB . THR B 1 312 ? 187.141 -44.784 103.181 1.00 42.28 ? 340 THR B CB 1 ATOM 5802 O OG1 . THR B 1 312 ? 186.161 -44.787 102.140 1.00 39.26 ? 340 THR B OG1 1 ATOM 5803 C CG2 . THR B 1 312 ? 187.885 -46.122 103.177 1.00 38.05 ? 340 THR B CG2 1 ATOM 5804 N N . GLU B 1 313 ? 184.691 -42.834 104.246 1.00 52.33 ? 341 GLU B N 1 ATOM 5805 C CA . GLU B 1 313 ? 184.153 -41.474 104.242 1.00 70.29 ? 341 GLU B CA 1 ATOM 5806 C C . GLU B 1 313 ? 184.242 -40.829 105.621 1.00 83.05 ? 341 GLU B C 1 ATOM 5807 O O . GLU B 1 313 ? 184.622 -39.660 105.744 1.00 88.54 ? 341 GLU B O 1 ATOM 5808 C CB . GLU B 1 313 ? 182.706 -41.478 103.751 1.00 89.12 ? 341 GLU B CB 1 ATOM 5809 C CG . GLU B 1 313 ? 182.091 -40.086 103.656 1.00 111.43 ? 341 GLU B CG 1 ATOM 5810 C CD . GLU B 1 313 ? 181.382 -39.843 102.334 1.00 116.96 ? 341 GLU B CD 1 ATOM 5811 O OE1 . GLU B 1 313 ? 180.215 -40.269 102.189 1.00 125.61 ? 341 GLU B OE1 1 ATOM 5812 O OE2 . GLU B 1 313 ? 181.996 -39.227 101.435 1.00 112.52 ? 341 GLU B OE2 1 ATOM 5813 N N . SER B 1 314 ? 183.914 -41.580 106.668 1.00 65.90 ? 342 SER B N 1 ATOM 5814 C CA . SER B 1 314 ? 184.052 -41.118 108.040 1.00 71.74 ? 342 SER B CA 1 ATOM 5815 C C . SER B 1 314 ? 185.441 -41.387 108.602 1.00 64.30 ? 342 SER B C 1 ATOM 5816 O O . SER B 1 314 ? 185.651 -41.208 109.802 1.00 71.89 ? 342 SER B O 1 ATOM 5817 C CB . SER B 1 314 ? 182.992 -41.762 108.930 1.00 85.31 ? 342 SER B CB 1 ATOM 5818 O OG . SER B 1 314 ? 183.094 -43.171 108.911 1.00 84.39 ? 342 SER B OG 1 ATOM 5819 N N . SER B 1 315 ? 186.376 -41.845 107.767 1.00 66.80 ? 343 SER B N 1 ATOM 5820 C CA . SER B 1 315 ? 187.762 -42.094 108.171 1.00 64.97 ? 343 SER B CA 1 ATOM 5821 C C . SER B 1 315 ? 187.840 -43.180 109.248 1.00 66.02 ? 343 SER B C 1 ATOM 5822 O O . SER B 1 315 ? 188.482 -43.016 110.285 1.00 75.42 ? 343 SER B O 1 ATOM 5823 C CB . SER B 1 315 ? 188.438 -40.799 108.638 1.00 78.63 ? 343 SER B CB 1 ATOM 5824 O OG . SER B 1 315 ? 188.048 -39.686 107.837 1.00 76.97 ? 343 SER B OG 1 ATOM 5825 N N . GLY B 1 316 ? 187.171 -44.304 108.992 1.00 55.74 ? 344 GLY B N 1 ATOM 5826 C CA . GLY B 1 316 ? 187.199 -45.438 109.888 1.00 50.12 ? 344 GLY B CA 1 ATOM 5827 C C . GLY B 1 316 ? 185.997 -45.585 110.787 1.00 63.15 ? 344 GLY B C 1 ATOM 5828 O O . GLY B 1 316 ? 185.990 -46.481 111.641 1.00 65.05 ? 344 GLY B O 1 ATOM 5829 N N . GLY B 1 317 ? 184.983 -44.740 110.623 1.00 54.60 ? 345 GLY B N 1 ATOM 5830 C CA . GLY B 1 317 ? 183.825 -44.794 111.485 1.00 72.98 ? 345 GLY B CA 1 ATOM 5831 C C . GLY B 1 317 ? 182.857 -45.881 111.079 1.00 78.18 ? 345 GLY B C 1 ATOM 5832 O O . GLY B 1 317 ? 182.860 -46.366 109.950 1.00 67.34 ? 345 GLY B O 1 ATOM 5833 N N . TRP B 1 318 ? 182.009 -46.264 112.025 1.00 72.04 ? 346 TRP B N 1 ATOM 5834 C CA . TRP B 1 318 ? 181.121 -47.404 111.863 1.00 70.96 ? 346 TRP B CA 1 ATOM 5835 C C . TRP B 1 318 ? 179.675 -46.944 111.747 1.00 86.20 ? 346 TRP B C 1 ATOM 5836 O O . TRP B 1 318 ? 179.257 -45.997 112.420 1.00 101.43 ? 346 TRP B O 1 ATOM 5837 C CB . TRP B 1 318 ? 181.237 -48.375 113.043 1.00 70.99 ? 346 TRP B CB 1 ATOM 5838 C CG . TRP B 1 318 ? 182.634 -48.697 113.468 1.00 60.47 ? 346 TRP B CG 1 ATOM 5839 C CD1 . TRP B 1 318 ? 183.795 -48.395 112.806 1.00 51.59 ? 346 TRP B CD1 1 ATOM 5840 C CD2 . TRP B 1 318 ? 183.020 -49.393 114.656 1.00 70.99 ? 346 TRP B CD2 1 ATOM 5841 N NE1 . TRP B 1 318 ? 184.877 -48.863 113.514 1.00 52.46 ? 346 TRP B NE1 1 ATOM 5842 C CE2 . TRP B 1 318 ? 184.426 -49.474 114.657 1.00 66.86 ? 346 TRP B CE2 1 ATOM 5843 C CE3 . TRP B 1 318 ? 182.314 -49.955 115.718 1.00 86.82 ? 346 TRP B CE3 1 ATOM 5844 C CZ2 . TRP B 1 318 ? 185.134 -50.092 115.679 1.00 70.62 ? 346 TRP B CZ2 1 ATOM 5845 C CZ3 . TRP B 1 318 ? 183.019 -50.570 116.729 1.00 97.02 ? 346 TRP B CZ3 1 ATOM 5846 C CH2 . TRP B 1 318 ? 184.414 -50.636 116.702 1.00 86.86 ? 346 TRP B CH2 1 ATOM 5847 N N . GLN B 1 319 ? 178.918 -47.622 110.891 1.00 71.19 ? 347 GLN B N 1 ATOM 5848 C CA . GLN B 1 319 ? 177.471 -47.527 110.864 1.00 80.47 ? 347 GLN B CA 1 ATOM 5849 C C . GLN B 1 319 ? 176.898 -48.930 110.912 1.00 81.53 ? 347 GLN B C 1 ATOM 5850 O O . GLN B 1 319 ? 177.601 -49.917 110.686 1.00 76.62 ? 347 GLN B O 1 ATOM 5851 C CB . GLN B 1 319 ? 176.951 -46.833 109.611 1.00 79.71 ? 347 GLN B CB 1 ATOM 5852 C CG . GLN B 1 319 ? 177.573 -45.500 109.331 1.00 85.20 ? 347 GLN B CG 1 ATOM 5853 C CD . GLN B 1 319 ? 177.071 -44.921 108.037 1.00 88.69 ? 347 GLN B CD 1 ATOM 5854 O OE1 . GLN B 1 319 ? 176.360 -45.588 107.282 1.00 90.35 ? 347 GLN B OE1 1 ATOM 5855 N NE2 . GLN B 1 319 ? 177.438 -43.675 107.764 1.00 92.04 ? 347 GLN B NE2 1 ATOM 5856 N N . ASN B 1 320 ? 175.609 -49.004 111.208 1.00 74.00 ? 348 ASN B N 1 ATOM 5857 C CA . ASN B 1 320 ? 174.834 -50.215 110.995 1.00 74.89 ? 348 ASN B CA 1 ATOM 5858 C C . ASN B 1 320 ? 174.135 -50.122 109.643 1.00 71.68 ? 348 ASN B C 1 ATOM 5859 O O . ASN B 1 320 ? 173.766 -49.037 109.188 1.00 75.03 ? 348 ASN B O 1 ATOM 5860 C CB . ASN B 1 320 ? 173.815 -50.428 112.120 1.00 97.71 ? 348 ASN B CB 1 ATOM 5861 C CG . ASN B 1 320 ? 172.913 -49.224 112.333 1.00 110.95 ? 348 ASN B CG 1 ATOM 5862 O OD1 . ASN B 1 320 ? 173.239 -48.101 111.942 1.00 107.17 ? 348 ASN B OD1 1 ATOM 5863 N ND2 . ASN B 1 320 ? 171.773 -49.454 112.963 1.00 131.08 ? 348 ASN B ND2 1 ATOM 5864 N N . ARG B 1 321 ? 174.011 -51.262 108.973 1.00 91.51 ? 349 ARG B N 1 ATOM 5865 C CA . ARG B 1 321 ? 173.297 -51.335 107.708 1.00 86.03 ? 349 ARG B CA 1 ATOM 5866 C C . ARG B 1 321 ? 172.497 -52.626 107.692 1.00 84.96 ? 349 ARG B C 1 ATOM 5867 O O . ARG B 1 321 ? 172.806 -53.575 108.416 1.00 89.74 ? 349 ARG B O 1 ATOM 5868 C CB . ARG B 1 321 ? 174.251 -51.272 106.502 1.00 66.43 ? 349 ARG B CB 1 ATOM 5869 C CG . ARG B 1 321 ? 175.150 -50.029 106.443 1.00 64.90 ? 349 ARG B CG 1 ATOM 5870 C CD . ARG B 1 321 ? 174.463 -48.846 105.804 1.00 70.26 ? 349 ARG B CD 1 ATOM 5871 N NE . ARG B 1 321 ? 173.994 -49.179 104.467 1.00 68.04 ? 349 ARG B NE 1 ATOM 5872 C CZ . ARG B 1 321 ? 174.714 -49.018 103.360 1.00 60.34 ? 349 ARG B CZ 1 ATOM 5873 N NH1 . ARG B 1 321 ? 175.948 -48.520 103.422 1.00 54.15 ? 349 ARG B NH1 1 ATOM 5874 N NH2 . ARG B 1 321 ? 174.202 -49.360 102.181 1.00 54.39 ? 349 ARG B NH2 1 ATOM 5875 N N . ASP B 1 322 ? 171.446 -52.649 106.879 1.00 81.60 ? 350 ASP B N 1 ATOM 5876 C CA . ASP B 1 322 ? 170.677 -53.875 106.724 1.00 88.66 ? 350 ASP B CA 1 ATOM 5877 C C . ASP B 1 322 ? 171.580 -54.987 106.211 1.00 72.58 ? 350 ASP B C 1 ATOM 5878 O O . ASP B 1 322 ? 172.286 -54.818 105.211 1.00 56.10 ? 350 ASP B O 1 ATOM 5879 C CB . ASP B 1 322 ? 169.504 -53.662 105.770 1.00 94.77 ? 350 ASP B CB 1 ATOM 5880 C CG . ASP B 1 322 ? 168.870 -54.968 105.325 1.00 101.41 ? 350 ASP B CG 1 ATOM 5881 O OD1 . ASP B 1 322 ? 168.806 -55.920 106.131 1.00 114.02 ? 350 ASP B OD1 1 ATOM 5882 O OD2 . ASP B 1 322 ? 168.435 -55.046 104.161 1.00 98.01 ? 350 ASP B OD2 1 ATOM 5883 N N . CYS B 1 323 ? 171.542 -56.133 106.892 1.00 81.53 ? 351 CYS B N 1 ATOM 5884 C CA . CYS B 1 323 ? 172.482 -57.215 106.627 1.00 71.99 ? 351 CYS B CA 1 ATOM 5885 C C . CYS B 1 323 ? 172.319 -57.835 105.246 1.00 66.03 ? 351 CYS B C 1 ATOM 5886 O O . CYS B 1 323 ? 173.176 -58.625 104.837 1.00 59.22 ? 351 CYS B O 1 ATOM 5887 C CB . CYS B 1 323 ? 172.336 -58.291 107.701 1.00 81.18 ? 351 CYS B CB 1 ATOM 5888 S SG . CYS B 1 323 ? 172.558 -57.644 109.359 1.00 100.75 ? 351 CYS B SG 1 ATOM 5889 N N . SER B 1 324 ? 171.256 -57.509 104.520 1.00 81.95 ? 352 SER B N 1 ATOM 5890 C CA . SER B 1 324 ? 171.055 -58.120 103.216 1.00 76.77 ? 352 SER B CA 1 ATOM 5891 C C . SER B 1 324 ? 171.818 -57.410 102.108 1.00 65.91 ? 352 SER B C 1 ATOM 5892 O O . SER B 1 324 ? 171.944 -57.974 101.017 1.00 59.32 ? 352 SER B O 1 ATOM 5893 C CB . SER B 1 324 ? 169.560 -58.162 102.874 1.00 84.59 ? 352 SER B CB 1 ATOM 5894 O OG . SER B 1 324 ? 169.001 -56.861 102.832 1.00 84.91 ? 352 SER B OG 1 ATOM 5895 N N . ILE B 1 325 ? 172.339 -56.208 102.360 1.00 80.89 ? 353 ILE B N 1 ATOM 5896 C CA . ILE B 1 325 ? 172.977 -55.433 101.303 1.00 72.47 ? 353 ILE B CA 1 ATOM 5897 C C . ILE B 1 325 ? 174.305 -56.074 100.914 1.00 53.38 ? 353 ILE B C 1 ATOM 5898 O O . ILE B 1 325 ? 175.029 -56.617 101.762 1.00 54.48 ? 353 ILE B O 1 ATOM 5899 C CB . ILE B 1 325 ? 173.161 -53.975 101.758 1.00 82.07 ? 353 ILE B CB 1 ATOM 5900 C CG1 . ILE B 1 325 ? 171.810 -53.378 102.145 1.00 108.62 ? 353 ILE B CG1 1 ATOM 5901 C CG2 . ILE B 1 325 ? 173.768 -53.133 100.658 1.00 67.86 ? 353 ILE B CG2 1 ATOM 5902 C CD1 . ILE B 1 325 ? 170.832 -53.298 100.993 1.00 115.05 ? 353 ILE B CD1 1 ATOM 5903 N N . ALA B 1 326 ? 174.627 -56.028 99.625 1.00 65.32 ? 354 ALA B N 1 ATOM 5904 C CA . ALA B 1 326 ? 175.877 -56.584 99.127 1.00 53.17 ? 354 ALA B CA 1 ATOM 5905 C C . ALA B 1 326 ? 176.981 -55.533 99.239 1.00 45.46 ? 354 ALA B C 1 ATOM 5906 O O . ALA B 1 326 ? 176.833 -54.409 98.747 1.00 53.10 ? 354 ALA B O 1 ATOM 5907 C CB . ALA B 1 326 ? 175.714 -57.066 97.682 1.00 38.56 ? 354 ALA B CB 1 ATOM 5908 N N . LEU B 1 327 ? 178.073 -55.892 99.900 1.00 42.01 ? 355 LEU B N 1 ATOM 5909 C CA . LEU B 1 327 ? 179.137 -54.947 100.194 1.00 39.01 ? 355 LEU B CA 1 ATOM 5910 C C . LEU B 1 327 ? 180.468 -55.672 100.133 1.00 33.72 ? 355 LEU B C 1 ATOM 5911 O O . LEU B 1 327 ? 180.521 -56.908 100.240 1.00 37.75 ? 355 LEU B O 1 ATOM 5912 C CB . LEU B 1 327 ? 178.958 -54.301 101.574 1.00 51.97 ? 355 LEU B CB 1 ATOM 5913 C CG . LEU B 1 327 ? 177.809 -53.318 101.814 1.00 69.35 ? 355 LEU B CG 1 ATOM 5914 C CD1 . LEU B 1 327 ? 177.683 -53.004 103.290 1.00 79.07 ? 355 LEU B CD1 1 ATOM 5915 C CD2 . LEU B 1 327 ? 178.018 -52.039 101.026 1.00 59.49 ? 355 LEU B CD2 1 ATOM 5916 N N . PRO B 1 328 ? 181.564 -54.945 99.967 1.00 35.64 ? 356 PRO B N 1 ATOM 5917 C CA . PRO B 1 328 ? 182.881 -55.512 100.287 1.00 30.91 ? 356 PRO B CA 1 ATOM 5918 C C . PRO B 1 328 ? 182.973 -55.793 101.788 1.00 42.89 ? 356 PRO B C 1 ATOM 5919 O O . PRO B 1 328 ? 182.124 -55.384 102.578 1.00 52.96 ? 356 PRO B O 1 ATOM 5920 C CB . PRO B 1 328 ? 183.868 -54.434 99.818 1.00 26.84 ? 356 PRO B CB 1 ATOM 5921 C CG . PRO B 1 328 ? 183.050 -53.177 99.631 1.00 29.79 ? 356 PRO B CG 1 ATOM 5922 C CD . PRO B 1 328 ? 181.636 -53.610 99.351 1.00 33.82 ? 356 PRO B CD 1 ATOM 5923 N N . TYR B 1 329 ? 183.985 -56.566 102.176 1.00 31.32 ? 357 TYR B N 1 ATOM 5924 C CA . TYR B 1 329 ? 184.090 -57.006 103.557 1.00 37.47 ? 357 TYR B CA 1 ATOM 5925 C C . TYR B 1 329 ? 185.547 -57.238 103.917 1.00 35.75 ? 357 TYR B C 1 ATOM 5926 O O . TYR B 1 329 ? 186.391 -57.481 103.056 1.00 29.90 ? 357 TYR B O 1 ATOM 5927 C CB . TYR B 1 329 ? 183.283 -58.280 103.804 1.00 41.01 ? 357 TYR B CB 1 ATOM 5928 C CG . TYR B 1 329 ? 183.731 -59.445 102.957 1.00 36.30 ? 357 TYR B CG 1 ATOM 5929 C CD1 . TYR B 1 329 ? 183.375 -59.525 101.625 1.00 31.26 ? 357 TYR B CD1 1 ATOM 5930 C CD2 . TYR B 1 329 ? 184.484 -60.484 103.500 1.00 37.46 ? 357 TYR B CD2 1 ATOM 5931 C CE1 . TYR B 1 329 ? 183.766 -60.606 100.851 1.00 29.25 ? 357 TYR B CE1 1 ATOM 5932 C CE2 . TYR B 1 329 ? 184.880 -61.551 102.739 1.00 33.70 ? 357 TYR B CE2 1 ATOM 5933 C CZ . TYR B 1 329 ? 184.525 -61.602 101.418 1.00 29.83 ? 357 TYR B CZ 1 ATOM 5934 O OH . TYR B 1 329 ? 184.914 -62.635 100.622 1.00 29.08 ? 357 TYR B OH 1 ATOM 5935 N N . VAL B 1 330 ? 185.824 -57.191 105.214 1.00 32.39 ? 358 VAL B N 1 ATOM 5936 C CA . VAL B 1 330 ? 187.172 -57.353 105.746 1.00 32.28 ? 358 VAL B CA 1 ATOM 5937 C C . VAL B 1 330 ? 187.237 -58.655 106.529 1.00 36.28 ? 358 VAL B C 1 ATOM 5938 O O . VAL B 1 330 ? 186.402 -58.894 107.402 1.00 42.58 ? 358 VAL B O 1 ATOM 5939 C CB . VAL B 1 330 ? 187.579 -56.172 106.642 1.00 35.67 ? 358 VAL B CB 1 ATOM 5940 C CG1 . VAL B 1 330 ? 189.069 -56.183 106.836 1.00 33.85 ? 358 VAL B CG1 1 ATOM 5941 C CG2 . VAL B 1 330 ? 187.111 -54.860 106.036 1.00 33.60 ? 358 VAL B CG2 1 ATOM 5942 N N . CYS B 1 331 ? 188.237 -59.484 106.225 1.00 38.76 ? 359 CYS B N 1 ATOM 5943 C CA . CYS B 1 331 ? 188.533 -60.684 106.993 1.00 42.37 ? 359 CYS B CA 1 ATOM 5944 C C . CYS B 1 331 ? 189.794 -60.477 107.819 1.00 50.71 ? 359 CYS B C 1 ATOM 5945 O O . CYS B 1 331 ? 190.713 -59.752 107.425 1.00 39.16 ? 359 CYS B O 1 ATOM 5946 C CB . CYS B 1 331 ? 188.723 -61.907 106.103 1.00 36.41 ? 359 CYS B CB 1 ATOM 5947 S SG . CYS B 1 331 ? 187.323 -62.398 105.106 1.00 38.79 ? 359 CYS B SG 1 ATOM 5948 N N . LYS B 1 332 ? 189.827 -61.135 108.971 1.00 40.80 ? 360 LYS B N 1 ATOM 5949 C CA . LYS B 1 332 ? 190.909 -61.002 109.934 1.00 39.93 ? 360 LYS B CA 1 ATOM 5950 C C . LYS B 1 332 ? 191.246 -62.393 110.447 1.00 43.61 ? 360 LYS B C 1 ATOM 5951 O O . LYS B 1 332 ? 190.353 -63.232 110.592 1.00 53.72 ? 360 LYS B O 1 ATOM 5952 C CB . LYS B 1 332 ? 190.489 -60.064 111.078 1.00 47.56 ? 360 LYS B CB 1 ATOM 5953 C CG . LYS B 1 332 ? 191.375 -60.057 112.306 1.00 59.38 ? 360 LYS B CG 1 ATOM 5954 C CD . LYS B 1 332 ? 190.771 -59.163 113.382 1.00 64.31 ? 360 LYS B CD 1 ATOM 5955 C CE . LYS B 1 332 ? 191.553 -59.235 114.680 1.00 70.98 ? 360 LYS B CE 1 ATOM 5956 N NZ . LYS B 1 332 ? 190.876 -58.458 115.749 1.00 83.36 ? 360 LYS B NZ 1 ATOM 5957 N N . LYS B 1 333 ? 192.532 -62.652 110.672 1.00 53.31 ? 361 LYS B N 1 ATOM 5958 C CA . LYS B 1 333 ? 192.956 -63.888 111.317 1.00 72.96 ? 361 LYS B CA 1 ATOM 5959 C C . LYS B 1 333 ? 194.263 -63.632 112.053 1.00 85.63 ? 361 LYS B C 1 ATOM 5960 O O . LYS B 1 333 ? 194.973 -62.662 111.775 1.00 80.02 ? 361 LYS B O 1 ATOM 5961 C CB . LYS B 1 333 ? 193.113 -65.038 110.316 1.00 64.23 ? 361 LYS B CB 1 ATOM 5962 C CG . LYS B 1 333 ? 194.300 -64.892 109.395 1.00 56.47 ? 361 LYS B CG 1 ATOM 5963 C CD . LYS B 1 333 ? 194.401 -66.051 108.414 1.00 52.27 ? 361 LYS B CD 1 ATOM 5964 C CE . LYS B 1 333 ? 195.520 -65.798 107.407 1.00 45.03 ? 361 LYS B CE 1 ATOM 5965 N NZ . LYS B 1 333 ? 195.602 -66.837 106.326 1.00 35.57 ? 361 LYS B NZ 1 ATOM 5966 N N . LYS B 1 334 ? 194.568 -64.516 113.008 1.00 65.12 ? 362 LYS B N 1 ATOM 5967 C CA . LYS B 1 334 ? 195.750 -64.406 113.871 1.00 73.97 ? 362 LYS B CA 1 ATOM 5968 C C . LYS B 1 334 ? 196.460 -65.754 113.923 1.00 83.45 ? 362 LYS B C 1 ATOM 5969 O O . LYS B 1 334 ? 196.440 -66.441 114.950 1.00 93.58 ? 362 LYS B O 1 ATOM 5970 C CB . LYS B 1 334 ? 195.366 -63.946 115.278 1.00 80.59 ? 362 LYS B CB 1 ATOM 5971 C CG . LYS B 1 334 ? 194.454 -62.741 115.325 1.00 87.35 ? 362 LYS B CG 1 ATOM 5972 C CD . LYS B 1 334 ? 194.081 -62.378 116.756 1.00 112.14 ? 362 LYS B CD 1 ATOM 5973 C CE . LYS B 1 334 ? 195.321 -62.118 117.603 1.00 125.80 ? 362 LYS B CE 1 ATOM 5974 N NZ . LYS B 1 334 ? 195.010 -61.507 118.927 1.00 140.74 ? 362 LYS B NZ 1 ATOM 5975 N N . PRO B 1 335 ? 197.119 -66.153 112.830 1.00 87.12 ? 363 PRO B N 1 ATOM 5976 C CA . PRO B 1 335 ? 197.673 -67.516 112.754 1.00 90.95 ? 363 PRO B CA 1 ATOM 5977 C C . PRO B 1 335 ? 198.869 -67.767 113.658 1.00 118.21 ? 363 PRO B C 1 ATOM 5978 O O . PRO B 1 335 ? 199.204 -68.937 113.885 1.00 131.27 ? 363 PRO B O 1 ATOM 5979 C CB . PRO B 1 335 ? 198.071 -67.641 111.281 1.00 71.96 ? 363 PRO B CB 1 ATOM 5980 C CG . PRO B 1 335 ? 198.442 -66.250 110.902 1.00 66.40 ? 363 PRO B CG 1 ATOM 5981 C CD . PRO B 1 335 ? 197.483 -65.348 111.651 1.00 71.50 ? 363 PRO B CD 1 ATOM 5982 N N . ASN B 1 336 ? 199.531 -66.720 114.160 1.00 92.59 ? 364 ASN B N 1 ATOM 5983 C CA . ASN B 1 336 ? 200.779 -66.855 114.922 1.00 109.07 ? 364 ASN B CA 1 ATOM 5984 C C . ASN B 1 336 ? 201.865 -67.558 114.100 1.00 111.64 ? 364 ASN B C 1 ATOM 5985 O O . ASN B 1 336 ? 202.463 -68.544 114.534 1.00 119.86 ? 364 ASN B O 1 ATOM 5986 C CB . ASN B 1 336 ? 200.543 -67.581 116.253 1.00 123.47 ? 364 ASN B CB 1 ATOM 5987 C CG . ASN B 1 336 ? 200.027 -66.659 117.346 1.00 127.68 ? 364 ASN B CG 1 ATOM 5988 O OD1 . ASN B 1 336 ? 198.841 -66.332 117.394 1.00 123.34 ? 364 ASN B OD1 1 ATOM 5989 N ND2 . ASN B 1 336 ? 200.917 -66.249 118.240 1.00 135.41 ? 364 ASN B ND2 1 ATOM 5990 N N . ALA B 1 337 ? 202.119 -67.035 112.897 1.00 111.48 ? 365 ALA B N 1 ATOM 5991 C CA . ALA B 1 337 ? 203.169 -67.556 112.010 1.00 109.98 ? 365 ALA B CA 1 ATOM 5992 C C . ALA B 1 337 ? 203.492 -66.574 110.878 1.00 92.48 ? 365 ALA B C 1 ATOM 5993 O O . ALA B 1 337 ? 203.159 -66.808 109.708 1.00 76.07 ? 365 ALA B O 1 ATOM 5994 C CB . ALA B 1 337 ? 202.763 -68.910 111.432 1.00 111.56 ? 365 ALA B CB 1 ATOM 5995 N N . ILE B 1 414 ? 180.241 -50.304 138.031 1.00 152.59 ? 442 ILE B N 1 ATOM 5996 C CA . ILE B 1 414 ? 181.516 -50.933 138.350 1.00 151.12 ? 442 ILE B CA 1 ATOM 5997 C C . ILE B 1 414 ? 182.685 -50.015 138.023 1.00 147.08 ? 442 ILE B C 1 ATOM 5998 O O . ILE B 1 414 ? 182.528 -48.799 137.924 1.00 147.42 ? 442 ILE B O 1 ATOM 5999 C CB . ILE B 1 414 ? 181.671 -52.265 137.617 1.00 132.03 ? 442 ILE B CB 1 ATOM 6000 C CG1 . ILE B 1 414 ? 180.824 -52.263 136.344 1.00 123.11 ? 442 ILE B CG1 1 ATOM 6001 C CG2 . ILE B 1 414 ? 181.307 -53.421 138.535 1.00 146.37 ? 442 ILE B CG2 1 ATOM 6002 C CD1 . ILE B 1 414 ? 180.955 -53.521 135.517 1.00 117.29 ? 442 ILE B CD1 1 ATOM 6003 N N . GLY B 1 415 ? 183.861 -50.609 137.854 1.00 170.25 ? 443 GLY B N 1 ATOM 6004 C CA . GLY B 1 415 ? 185.061 -49.837 137.608 1.00 165.65 ? 443 GLY B CA 1 ATOM 6005 C C . GLY B 1 415 ? 185.324 -49.581 136.140 1.00 140.06 ? 443 GLY B C 1 ATOM 6006 O O . GLY B 1 415 ? 186.462 -49.303 135.750 1.00 131.57 ? 443 GLY B O 1 ATOM 6007 N N . LEU B 1 416 ? 184.290 -49.673 135.310 1.00 177.82 ? 444 LEU B N 1 ATOM 6008 C CA . LEU B 1 416 ? 184.439 -49.446 133.880 1.00 148.03 ? 444 LEU B CA 1 ATOM 6009 C C . LEU B 1 416 ? 184.296 -47.960 133.576 1.00 138.70 ? 444 LEU B C 1 ATOM 6010 O O . LEU B 1 416 ? 183.338 -47.316 134.019 1.00 143.79 ? 444 LEU B O 1 ATOM 6011 C CB . LEU B 1 416 ? 183.409 -50.257 133.091 1.00 138.67 ? 444 LEU B CB 1 ATOM 6012 C CG . LEU B 1 416 ? 183.770 -50.505 131.621 1.00 112.85 ? 444 LEU B CG 1 ATOM 6013 C CD1 . LEU B 1 416 ? 185.077 -51.279 131.528 1.00 104.92 ? 444 LEU B CD1 1 ATOM 6014 C CD2 . LEU B 1 416 ? 182.661 -51.235 130.858 1.00 100.53 ? 444 LEU B CD2 1 ATOM 6015 N N . ASN B 1 417 ? 185.258 -47.416 132.833 1.00 145.48 ? 445 ASN B N 1 ATOM 6016 C CA . ASN B 1 417 ? 185.225 -46.011 132.458 1.00 140.76 ? 445 ASN B CA 1 ATOM 6017 C C . ASN B 1 417 ? 185.877 -45.816 131.094 1.00 114.05 ? 445 ASN B C 1 ATOM 6018 O O . ASN B 1 417 ? 186.891 -46.449 130.781 1.00 103.87 ? 445 ASN B O 1 ATOM 6019 C CB . ASN B 1 417 ? 185.931 -45.141 133.505 1.00 152.42 ? 445 ASN B CB 1 ATOM 6020 C CG . ASN B 1 417 ? 187.431 -45.381 133.550 1.00 142.69 ? 445 ASN B CG 1 ATOM 6021 O OD1 . ASN B 1 417 ? 188.223 -44.485 133.258 1.00 136.59 ? 445 ASN B OD1 1 ATOM 6022 N ND2 . ASN B 1 417 ? 187.828 -46.593 133.917 1.00 142.16 ? 445 ASN B ND2 1 ATOM 6023 N N . ASP B 1 418 ? 185.273 -44.949 130.283 1.00 137.29 ? 446 ASP B N 1 ATOM 6024 C CA . ASP B 1 418 ? 185.885 -44.420 129.072 1.00 113.84 ? 446 ASP B CA 1 ATOM 6025 C C . ASP B 1 418 ? 186.533 -43.059 129.305 1.00 124.19 ? 446 ASP B C 1 ATOM 6026 O O . ASP B 1 418 ? 186.920 -42.395 128.340 1.00 114.07 ? 446 ASP B O 1 ATOM 6027 C CB . ASP B 1 418 ? 184.861 -44.346 127.936 1.00 96.89 ? 446 ASP B CB 1 ATOM 6028 C CG . ASP B 1 418 ? 183.633 -43.543 128.301 1.00 112.95 ? 446 ASP B CG 1 ATOM 6029 O OD1 . ASP B 1 418 ? 182.663 -44.135 128.812 1.00 126.72 ? 446 ASP B OD1 1 ATOM 6030 O OD2 . ASP B 1 418 ? 183.630 -42.322 128.062 1.00 113.13 ? 446 ASP B OD2 1 ATOM 6031 N N . LEU B 1 419 ? 186.618 -42.618 130.565 1.00 113.78 ? 447 LEU B N 1 ATOM 6032 C CA . LEU B 1 419 ? 187.056 -41.260 130.891 1.00 126.07 ? 447 LEU B CA 1 ATOM 6033 C C . LEU B 1 419 ? 188.405 -40.889 130.278 1.00 115.94 ? 447 LEU B C 1 ATOM 6034 O O . LEU B 1 419 ? 188.627 -39.720 129.944 1.00 112.95 ? 447 LEU B O 1 ATOM 6035 C CB . LEU B 1 419 ? 187.115 -41.090 132.411 1.00 149.12 ? 447 LEU B CB 1 ATOM 6036 C CG . LEU B 1 419 ? 185.777 -40.898 133.124 1.00 168.69 ? 447 LEU B CG 1 ATOM 6037 C CD1 . LEU B 1 419 ? 185.810 -41.517 134.508 1.00 189.99 ? 447 LEU B CD1 1 ATOM 6038 C CD2 . LEU B 1 419 ? 185.440 -39.420 133.213 1.00 174.13 ? 447 LEU B CD2 1 ATOM 6039 N N . LYS B 1 420 ? 189.322 -41.848 130.138 1.00 143.92 ? 448 LYS B N 1 ATOM 6040 C CA . LYS B 1 420 ? 190.631 -41.533 129.569 1.00 132.35 ? 448 LYS B CA 1 ATOM 6041 C C . LYS B 1 420 ? 190.497 -41.053 128.125 1.00 114.15 ? 448 LYS B C 1 ATOM 6042 O O . LYS B 1 420 ? 190.966 -39.966 127.769 1.00 111.60 ? 448 LYS B O 1 ATOM 6043 C CB . LYS B 1 420 ? 191.556 -42.751 129.670 1.00 125.36 ? 448 LYS B CB 1 ATOM 6044 C CG . LYS B 1 420 ? 192.968 -42.514 129.140 1.00 110.28 ? 448 LYS B CG 1 ATOM 6045 C CD . LYS B 1 420 ? 193.904 -43.678 129.466 1.00 102.65 ? 448 LYS B CD 1 ATOM 6046 C CE . LYS B 1 420 ? 195.172 -43.648 128.602 1.00 83.75 ? 448 LYS B CE 1 ATOM 6047 N NZ . LYS B 1 420 ? 196.015 -42.416 128.784 1.00 85.31 ? 448 LYS B NZ 1 ATOM 6048 N N . LEU B 1 421 ? 189.856 -41.855 127.276 1.00 142.49 ? 449 LEU B N 1 ATOM 6049 C CA . LEU B 1 421 ? 189.505 -41.432 125.926 1.00 116.18 ? 449 LEU B CA 1 ATOM 6050 C C . LEU B 1 421 ? 188.138 -42.002 125.573 1.00 107.08 ? 449 LEU B C 1 ATOM 6051 O O . LEU B 1 421 ? 187.874 -43.185 125.810 1.00 102.54 ? 449 LEU B O 1 ATOM 6052 C CB . LEU B 1 421 ? 190.571 -41.854 124.897 1.00 97.49 ? 449 LEU B CB 1 ATOM 6053 C CG . LEU B 1 421 ? 191.031 -43.300 124.675 1.00 85.56 ? 449 LEU B CG 1 ATOM 6054 C CD1 . LEU B 1 421 ? 191.849 -43.383 123.386 1.00 67.62 ? 449 LEU B CD1 1 ATOM 6055 C CD2 . LEU B 1 421 ? 191.833 -43.849 125.854 1.00 96.71 ? 449 LEU B CD2 1 ATOM 6056 N N . GLN B 1 422 ? 187.277 -41.151 125.012 1.00 100.23 ? 450 GLN B N 1 ATOM 6057 C CA . GLN B 1 422 ? 185.872 -41.489 124.816 1.00 105.92 ? 450 GLN B CA 1 ATOM 6058 C C . GLN B 1 422 ? 185.699 -42.754 123.982 1.00 93.93 ? 450 GLN B C 1 ATOM 6059 O O . GLN B 1 422 ? 186.373 -42.953 122.965 1.00 78.83 ? 450 GLN B O 1 ATOM 6060 C CB . GLN B 1 422 ? 185.140 -40.323 124.147 1.00 108.60 ? 450 GLN B CB 1 ATOM 6061 C CG . GLN B 1 422 ? 184.322 -39.459 125.097 1.00 135.71 ? 450 GLN B CG 1 ATOM 6062 C CD . GLN B 1 422 ? 182.870 -39.888 125.171 1.00 145.37 ? 450 GLN B CD 1 ATOM 6063 O OE1 . GLN B 1 422 ? 182.375 -40.254 126.234 1.00 148.69 ? 450 GLN B OE1 1 ATOM 6064 N NE2 . GLN B 1 422 ? 182.177 -39.837 124.041 1.00 150.16 ? 450 GLN B NE2 1 ATOM 6065 N N . MET B 1 423 ? 184.773 -43.603 124.428 1.00 117.27 ? 451 MET B N 1 ATOM 6066 C CA . MET B 1 423 ? 184.375 -44.844 123.762 1.00 100.97 ? 451 MET B CA 1 ATOM 6067 C C . MET B 1 423 ? 185.525 -45.835 123.614 1.00 83.17 ? 451 MET B C 1 ATOM 6068 O O . MET B 1 423 ? 185.464 -46.735 122.770 1.00 76.94 ? 451 MET B O 1 ATOM 6069 C CB . MET B 1 423 ? 183.737 -44.563 122.396 1.00 90.29 ? 451 MET B CB 1 ATOM 6070 C CG . MET B 1 423 ? 182.296 -44.072 122.458 1.00 105.18 ? 451 MET B CG 1 ATOM 6071 S SD . MET B 1 423 ? 181.182 -45.235 123.281 1.00 134.05 ? 451 MET B SD 1 ATOM 6072 C CE . MET B 1 423 ? 179.601 -44.698 122.628 1.00 102.90 ? 451 MET B CE 1 ATOM 6073 N N . ASN B 1 424 ? 186.564 -45.708 124.437 1.00 93.51 ? 452 ASN B N 1 ATOM 6074 C CA . ASN B 1 424 ? 187.593 -46.733 124.591 1.00 93.84 ? 452 ASN B CA 1 ATOM 6075 C C . ASN B 1 424 ? 187.651 -47.070 126.073 1.00 118.02 ? 452 ASN B C 1 ATOM 6076 O O . ASN B 1 424 ? 188.044 -46.230 126.890 1.00 129.89 ? 452 ASN B O 1 ATOM 6077 C CB . ASN B 1 424 ? 188.949 -46.257 124.076 1.00 84.80 ? 452 ASN B CB 1 ATOM 6078 C CG . ASN B 1 424 ? 190.026 -47.320 124.209 1.00 83.67 ? 452 ASN B CG 1 ATOM 6079 O OD1 . ASN B 1 424 ? 190.077 -48.273 123.425 1.00 74.29 ? 452 ASN B OD1 1 ATOM 6080 N ND2 . ASN B 1 424 ? 190.894 -47.161 125.200 1.00 95.16 ? 452 ASN B ND2 1 ATOM 6081 N N . PHE B 1 425 ? 187.262 -48.289 126.424 1.00 90.80 ? 453 PHE B N 1 ATOM 6082 C CA . PHE B 1 425 ? 186.939 -48.605 127.806 1.00 112.31 ? 453 PHE B CA 1 ATOM 6083 C C . PHE B 1 425 ? 188.076 -49.341 128.500 1.00 117.71 ? 453 PHE B C 1 ATOM 6084 O O . PHE B 1 425 ? 188.690 -50.254 127.935 1.00 95.53 ? 453 PHE B O 1 ATOM 6085 C CB . PHE B 1 425 ? 185.643 -49.411 127.893 1.00 111.44 ? 453 PHE B CB 1 ATOM 6086 C CG . PHE B 1 425 ? 184.413 -48.568 127.736 1.00 112.58 ? 453 PHE B CG 1 ATOM 6087 C CD1 . PHE B 1 425 ? 183.901 -48.294 126.478 1.00 96.94 ? 453 PHE B CD1 1 ATOM 6088 C CD2 . PHE B 1 425 ? 183.785 -48.024 128.843 1.00 130.76 ? 453 PHE B CD2 1 ATOM 6089 C CE1 . PHE B 1 425 ? 182.776 -47.507 126.330 1.00 105.80 ? 453 PHE B CE1 1 ATOM 6090 C CE2 . PHE B 1 425 ? 182.658 -47.238 128.703 1.00 138.37 ? 453 PHE B CE2 1 ATOM 6091 C CZ . PHE B 1 425 ? 182.152 -46.978 127.448 1.00 127.48 ? 453 PHE B CZ 1 ATOM 6092 N N . GLU B 1 426 ? 188.351 -48.911 129.732 1.00 112.58 ? 454 GLU B N 1 ATOM 6093 C CA . GLU B 1 426 ? 189.396 -49.459 130.579 1.00 120.33 ? 454 GLU B CA 1 ATOM 6094 C C . GLU B 1 426 ? 188.843 -49.600 131.987 1.00 140.10 ? 454 GLU B C 1 ATOM 6095 O O . GLU B 1 426 ? 188.089 -48.743 132.456 1.00 146.97 ? 454 GLU B O 1 ATOM 6096 C CB . GLU B 1 426 ? 190.638 -48.557 130.590 1.00 121.13 ? 454 GLU B CB 1 ATOM 6097 C CG . GLU B 1 426 ? 191.132 -48.142 129.208 1.00 101.80 ? 454 GLU B CG 1 ATOM 6098 C CD . GLU B 1 426 ? 191.976 -46.883 129.243 1.00 101.67 ? 454 GLU B CD 1 ATOM 6099 O OE1 . GLU B 1 426 ? 192.496 -46.540 130.331 1.00 118.76 ? 454 GLU B OE1 1 ATOM 6100 O OE2 . GLU B 1 426 ? 192.111 -46.230 128.181 1.00 85.31 ? 454 GLU B OE2 1 ATOM 6101 N N . TRP B 1 427 ? 189.204 -50.693 132.648 1.00 106.33 ? 455 TRP B N 1 ATOM 6102 C CA . TRP B 1 427 ? 188.846 -50.862 134.046 1.00 135.00 ? 455 TRP B CA 1 ATOM 6103 C C . TRP B 1 427 ? 189.672 -49.912 134.915 1.00 146.91 ? 455 TRP B C 1 ATOM 6104 O O . TRP B 1 427 ? 190.713 -49.393 134.500 1.00 132.05 ? 455 TRP B O 1 ATOM 6105 C CB . TRP B 1 427 ? 189.045 -52.316 134.474 1.00 142.56 ? 455 TRP B CB 1 ATOM 6106 C CG . TRP B 1 427 ? 187.837 -53.185 134.253 1.00 144.86 ? 455 TRP B CG 1 ATOM 6107 C CD1 . TRP B 1 427 ? 186.528 -52.812 134.358 1.00 152.95 ? 455 TRP B CD1 1 ATOM 6108 C CD2 . TRP B 1 427 ? 187.830 -54.573 133.888 1.00 138.20 ? 455 TRP B CD2 1 ATOM 6109 N NE1 . TRP B 1 427 ? 185.707 -53.881 134.087 1.00 150.39 ? 455 TRP B NE1 1 ATOM 6110 C CE2 . TRP B 1 427 ? 186.481 -54.973 133.794 1.00 141.05 ? 455 TRP B CE2 1 ATOM 6111 C CE3 . TRP B 1 427 ? 188.831 -55.516 133.633 1.00 127.85 ? 455 TRP B CE3 1 ATOM 6112 C CZ2 . TRP B 1 427 ? 186.111 -56.275 133.458 1.00 135.11 ? 455 TRP B CZ2 1 ATOM 6113 C CZ3 . TRP B 1 427 ? 188.461 -56.808 133.302 1.00 120.28 ? 455 TRP B CZ3 1 ATOM 6114 C CH2 . TRP B 1 427 ? 187.113 -57.175 133.218 1.00 125.00 ? 455 TRP B CH2 1 ATOM 6115 N N . SER B 1 428 ? 189.178 -49.673 136.134 1.00 133.75 ? 456 SER B N 1 ATOM 6116 C CA . SER B 1 428 ? 189.797 -48.679 137.010 1.00 142.68 ? 456 SER B CA 1 ATOM 6117 C C . SER B 1 428 ? 191.225 -49.071 137.380 1.00 132.87 ? 456 SER B C 1 ATOM 6118 O O . SER B 1 428 ? 192.147 -48.249 137.305 1.00 129.48 ? 456 SER B O 1 ATOM 6119 C CB . SER B 1 428 ? 188.945 -48.484 138.267 1.00 167.36 ? 456 SER B CB 1 ATOM 6120 O OG . SER B 1 428 ? 187.693 -47.893 137.959 1.00 166.48 ? 456 SER B OG 1 ATOM 6121 N N . ASP B 1 429 ? 191.429 -50.330 137.779 1.00 141.59 ? 457 ASP B N 1 ATOM 6122 C CA . ASP B 1 429 ? 192.753 -50.790 138.185 1.00 143.89 ? 457 ASP B CA 1 ATOM 6123 C C . ASP B 1 429 ? 193.703 -50.980 137.014 1.00 127.85 ? 457 ASP B C 1 ATOM 6124 O O . ASP B 1 429 ? 194.892 -51.231 137.237 1.00 129.30 ? 457 ASP B O 1 ATOM 6125 C CB . ASP B 1 429 ? 192.641 -52.107 138.944 1.00 149.81 ? 457 ASP B CB 1 ATOM 6126 C CG . ASP B 1 429 ? 192.156 -53.232 138.065 1.00 139.74 ? 457 ASP B CG 1 ATOM 6127 O OD1 . ASP B 1 429 ? 191.330 -52.959 137.171 1.00 126.98 ? 457 ASP B OD1 1 ATOM 6128 O OD2 . ASP B 1 429 ? 192.601 -54.382 138.260 1.00 144.26 ? 457 ASP B OD2 1 ATOM 6129 N N . GLY B 1 430 ? 193.215 -50.869 135.782 1.00 145.53 ? 458 GLY B N 1 ATOM 6130 C CA . GLY B 1 430 ? 194.027 -51.197 134.632 1.00 127.42 ? 458 GLY B CA 1 ATOM 6131 C C . GLY B 1 430 ? 194.053 -52.667 134.297 1.00 130.29 ? 458 GLY B C 1 ATOM 6132 O O . GLY B 1 430 ? 194.961 -53.114 133.590 1.00 110.89 ? 458 GLY B O 1 ATOM 6133 N N . SER B 1 431 ? 193.089 -53.438 134.795 1.00 132.85 ? 459 SER B N 1 ATOM 6134 C CA . SER B 1 431 ? 193.016 -54.849 134.449 1.00 141.79 ? 459 SER B CA 1 ATOM 6135 C C . SER B 1 431 ? 192.811 -55.017 132.951 1.00 122.01 ? 459 SER B C 1 ATOM 6136 O O . SER B 1 431 ? 192.154 -54.199 132.299 1.00 115.58 ? 459 SER B O 1 ATOM 6137 C CB . SER B 1 431 ? 191.882 -55.536 135.209 1.00 162.27 ? 459 SER B CB 1 ATOM 6138 O OG . SER B 1 431 ? 191.557 -56.782 134.611 1.00 156.37 ? 459 SER B OG 1 ATOM 6139 N N . LEU B 1 432 ? 193.398 -56.080 132.409 1.00 156.88 ? 460 LEU B N 1 ATOM 6140 C CA . LEU B 1 432 ? 193.219 -56.406 131.003 1.00 130.66 ? 460 LEU B CA 1 ATOM 6141 C C . LEU B 1 432 ? 191.764 -56.771 130.735 1.00 123.81 ? 460 LEU B C 1 ATOM 6142 O O . LEU B 1 432 ? 191.129 -57.481 131.522 1.00 143.69 ? 460 LEU B O 1 ATOM 6143 C CB . LEU B 1 432 ? 194.160 -57.554 130.624 1.00 120.45 ? 460 LEU B CB 1 ATOM 6144 C CG . LEU B 1 432 ? 194.086 -58.281 129.288 1.00 95.33 ? 460 LEU B CG 1 ATOM 6145 C CD1 . LEU B 1 432 ? 195.484 -58.707 128.884 1.00 85.66 ? 460 LEU B CD1 1 ATOM 6146 C CD2 . LEU B 1 432 ? 193.193 -59.494 129.416 1.00 98.40 ? 460 LEU B CD2 1 ATOM 6147 N N . VAL B 1 433 ? 191.227 -56.268 129.627 1.00 141.91 ? 461 VAL B N 1 ATOM 6148 C CA . VAL B 1 433 ? 189.833 -56.509 129.274 1.00 124.96 ? 461 VAL B CA 1 ATOM 6149 C C . VAL B 1 433 ? 189.796 -57.722 128.355 1.00 108.68 ? 461 VAL B C 1 ATOM 6150 O O . VAL B 1 433 ? 190.203 -57.639 127.195 1.00 86.25 ? 461 VAL B O 1 ATOM 6151 C CB . VAL B 1 433 ? 189.205 -55.288 128.592 1.00 101.37 ? 461 VAL B CB 1 ATOM 6152 C CG1 . VAL B 1 433 ? 187.752 -55.564 128.249 1.00 95.73 ? 461 VAL B CG1 1 ATOM 6153 C CG2 . VAL B 1 433 ? 189.333 -54.055 129.463 1.00 101.96 ? 461 VAL B CG2 1 ATOM 6154 N N . SER B 1 434 ? 189.333 -58.858 128.880 1.00 109.38 ? 462 SER B N 1 ATOM 6155 C CA . SER B 1 434 ? 189.026 -60.010 128.047 1.00 100.62 ? 462 SER B CA 1 ATOM 6156 C C . SER B 1 434 ? 187.537 -60.197 127.788 1.00 98.45 ? 462 SER B C 1 ATOM 6157 O O . SER B 1 434 ? 187.176 -61.050 126.968 1.00 93.33 ? 462 SER B O 1 ATOM 6158 C CB . SER B 1 434 ? 189.592 -61.293 128.679 1.00 116.10 ? 462 SER B CB 1 ATOM 6159 O OG . SER B 1 434 ? 190.956 -61.486 128.337 1.00 108.59 ? 462 SER B OG 1 ATOM 6160 N N . PHE B 1 435 ? 186.667 -59.434 128.450 1.00 94.72 ? 463 PHE B N 1 ATOM 6161 C CA . PHE B 1 435 ? 185.240 -59.704 128.345 1.00 96.32 ? 463 PHE B CA 1 ATOM 6162 C C . PHE B 1 435 ? 184.448 -58.446 128.661 1.00 102.33 ? 463 PHE B C 1 ATOM 6163 O O . PHE B 1 435 ? 184.856 -57.636 129.497 1.00 110.67 ? 463 PHE B O 1 ATOM 6164 C CB . PHE B 1 435 ? 184.854 -60.868 129.276 1.00 96.36 ? 463 PHE B CB 1 ATOM 6165 C CG . PHE B 1 435 ? 183.534 -60.695 129.992 1.00 98.28 ? 463 PHE B CG 1 ATOM 6166 C CD1 . PHE B 1 435 ? 182.346 -61.118 129.409 1.00 99.46 ? 463 PHE B CD1 1 ATOM 6167 C CD2 . PHE B 1 435 ? 183.487 -60.149 131.272 1.00 98.91 ? 463 PHE B CD2 1 ATOM 6168 C CE1 . PHE B 1 435 ? 181.127 -60.978 130.082 1.00 101.27 ? 463 PHE B CE1 1 ATOM 6169 C CE2 . PHE B 1 435 ? 182.276 -60.004 131.944 1.00 101.44 ? 463 PHE B CE2 1 ATOM 6170 C CZ . PHE B 1 435 ? 181.097 -60.418 131.348 1.00 103.75 ? 463 PHE B CZ 1 ATOM 6171 N N . THR B 1 436 ? 183.303 -58.301 127.993 1.00 96.86 ? 464 THR B N 1 ATOM 6172 C CA . THR B 1 436 ? 182.286 -57.324 128.367 1.00 101.71 ? 464 THR B CA 1 ATOM 6173 C C . THR B 1 436 ? 180.915 -57.983 128.297 1.00 101.98 ? 464 THR B C 1 ATOM 6174 O O . THR B 1 436 ? 180.700 -58.918 127.520 1.00 101.71 ? 464 THR B O 1 ATOM 6175 C CB . THR B 1 436 ? 182.270 -56.091 127.454 1.00 107.89 ? 464 THR B CB 1 ATOM 6176 O OG1 . THR B 1 436 ? 181.765 -56.467 126.167 1.00 109.52 ? 464 THR B OG1 1 ATOM 6177 C CG2 . THR B 1 436 ? 183.661 -55.496 127.301 1.00 103.44 ? 464 THR B CG2 1 ATOM 6178 N N . HIS B 1 437 ? 179.995 -57.505 129.131 1.00 101.38 ? 465 HIS B N 1 ATOM 6179 C CA . HIS B 1 437 ? 178.586 -57.884 129.056 1.00 103.80 ? 465 HIS B CA 1 ATOM 6180 C C . HIS B 1 437 ? 177.766 -56.601 129.103 1.00 114.74 ? 465 HIS B C 1 ATOM 6181 O O . HIS B 1 437 ? 177.639 -55.984 130.166 1.00 119.55 ? 465 HIS B O 1 ATOM 6182 C CB . HIS B 1 437 ? 178.212 -58.825 130.210 1.00 104.72 ? 465 HIS B CB 1 ATOM 6183 C CG . HIS B 1 437 ? 176.963 -59.619 129.977 1.00 109.08 ? 465 HIS B CG 1 ATOM 6184 N ND1 . HIS B 1 437 ? 176.274 -60.235 131.001 1.00 111.80 ? 465 HIS B ND1 1 ATOM 6185 C CD2 . HIS B 1 437 ? 176.285 -59.910 128.841 1.00 108.95 ? 465 HIS B CD2 1 ATOM 6186 C CE1 . HIS B 1 437 ? 175.223 -60.865 130.507 1.00 111.26 ? 465 HIS B CE1 1 ATOM 6187 N NE2 . HIS B 1 437 ? 175.206 -60.683 129.199 1.00 110.50 ? 465 HIS B NE2 1 ATOM 6188 N N . TRP B 1 438 ? 177.155 -56.230 127.984 1.00 106.69 ? 466 TRP B N 1 ATOM 6189 C CA . TRP B 1 438 ? 176.453 -54.960 127.879 1.00 117.88 ? 466 TRP B CA 1 ATOM 6190 C C . TRP B 1 438 ? 174.953 -55.187 127.759 1.00 125.70 ? 466 TRP B C 1 ATOM 6191 O O . TRP B 1 438 ? 174.501 -56.209 127.236 1.00 119.74 ? 466 TRP B O 1 ATOM 6192 C CB . TRP B 1 438 ? 176.933 -54.151 126.667 1.00 116.69 ? 466 TRP B CB 1 ATOM 6193 C CG . TRP B 1 438 ? 178.327 -53.573 126.766 1.00 111.58 ? 466 TRP B CG 1 ATOM 6194 C CD1 . TRP B 1 438 ? 179.478 -54.110 126.258 1.00 103.57 ? 466 TRP B CD1 1 ATOM 6195 C CD2 . TRP B 1 438 ? 178.704 -52.333 127.382 1.00 114.23 ? 466 TRP B CD2 1 ATOM 6196 N NE1 . TRP B 1 438 ? 180.547 -53.288 126.531 1.00 102.74 ? 466 TRP B NE1 1 ATOM 6197 C CE2 . TRP B 1 438 ? 180.098 -52.191 127.218 1.00 107.54 ? 466 TRP B CE2 1 ATOM 6198 C CE3 . TRP B 1 438 ? 178.002 -51.334 128.063 1.00 121.66 ? 466 TRP B CE3 1 ATOM 6199 C CZ2 . TRP B 1 438 ? 180.800 -51.093 127.712 1.00 111.67 ? 466 TRP B CZ2 1 ATOM 6200 C CZ3 . TRP B 1 438 ? 178.701 -50.242 128.544 1.00 125.09 ? 466 TRP B CZ3 1 ATOM 6201 C CH2 . TRP B 1 438 ? 180.085 -50.132 128.371 1.00 119.10 ? 466 TRP B CH2 1 ATOM 6202 N N . HIS B 1 439 ? 174.183 -54.222 128.253 1.00 115.81 ? 467 HIS B N 1 ATOM 6203 C CA . HIS B 1 439 ? 172.785 -54.150 127.886 1.00 117.72 ? 467 HIS B CA 1 ATOM 6204 C C . HIS B 1 439 ? 172.689 -53.770 126.411 1.00 117.82 ? 467 HIS B C 1 ATOM 6205 O O . HIS B 1 439 ? 173.625 -53.198 125.850 1.00 116.78 ? 467 HIS B O 1 ATOM 6206 C CB . HIS B 1 439 ? 172.055 -53.122 128.750 1.00 133.93 ? 467 HIS B CB 1 ATOM 6207 C CG . HIS B 1 439 ? 170.600 -53.420 128.968 1.00 157.22 ? 467 HIS B CG 1 ATOM 6208 N ND1 . HIS B 1 439 ? 170.159 -54.541 129.641 1.00 161.19 ? 467 HIS B ND1 1 ATOM 6209 C CD2 . HIS B 1 439 ? 169.487 -52.728 128.625 1.00 171.32 ? 467 HIS B CD2 1 ATOM 6210 C CE1 . HIS B 1 439 ? 168.839 -54.533 129.689 1.00 170.22 ? 467 HIS B CE1 1 ATOM 6211 N NE2 . HIS B 1 439 ? 168.406 -53.444 129.080 1.00 177.06 ? 467 HIS B NE2 1 ATOM 6212 N N . PRO B 1 440 ? 171.586 -54.111 125.750 1.00 124.67 ? 468 PRO B N 1 ATOM 6213 C CA . PRO B 1 440 ? 171.376 -53.612 124.388 1.00 125.36 ? 468 PRO B CA 1 ATOM 6214 C C . PRO B 1 440 ? 171.457 -52.093 124.339 1.00 131.50 ? 468 PRO B C 1 ATOM 6215 O O . PRO B 1 440 ? 171.001 -51.399 125.249 1.00 134.81 ? 468 PRO B O 1 ATOM 6216 C CB . PRO B 1 440 ? 169.975 -54.120 124.040 1.00 128.77 ? 468 PRO B CB 1 ATOM 6217 C CG . PRO B 1 440 ? 169.859 -55.383 124.820 1.00 127.30 ? 468 PRO B CG 1 ATOM 6218 C CD . PRO B 1 440 ? 170.596 -55.140 126.115 1.00 124.49 ? 468 PRO B CD 1 ATOM 6219 N N . PHE B 1 441 ? 172.063 -51.589 123.261 1.00 122.33 ? 469 PHE B N 1 ATOM 6220 C CA . PHE B 1 441 ? 172.302 -50.161 123.047 1.00 129.39 ? 469 PHE B CA 1 ATOM 6221 C C . PHE B 1 441 ? 173.282 -49.572 124.063 1.00 120.42 ? 469 PHE B C 1 ATOM 6222 O O . PHE B 1 441 ? 173.238 -48.372 124.345 1.00 125.84 ? 469 PHE B O 1 ATOM 6223 C CB . PHE B 1 441 ? 170.994 -49.358 123.061 1.00 146.90 ? 469 PHE B CB 1 ATOM 6224 C CG . PHE B 1 441 ? 169.940 -49.885 122.127 1.00 152.81 ? 469 PHE B CG 1 ATOM 6225 C CD1 . PHE B 1 441 ? 169.956 -49.550 120.783 1.00 152.75 ? 469 PHE B CD1 1 ATOM 6226 C CD2 . PHE B 1 441 ? 168.921 -50.698 122.600 1.00 155.23 ? 469 PHE B CD2 1 ATOM 6227 C CE1 . PHE B 1 441 ? 168.984 -50.024 119.928 1.00 155.29 ? 469 PHE B CE1 1 ATOM 6228 C CE2 . PHE B 1 441 ? 167.945 -51.177 121.748 1.00 157.59 ? 469 PHE B CE2 1 ATOM 6229 C CZ . PHE B 1 441 ? 167.977 -50.840 120.411 1.00 157.57 ? 469 PHE B CZ 1 ATOM 6230 N N . GLU B 1 442 ? 174.177 -50.389 124.615 1.00 123.74 ? 470 GLU B N 1 ATOM 6231 C CA . GLU B 1 442 ? 175.185 -49.892 125.556 1.00 121.67 ? 470 GLU B CA 1 ATOM 6232 C C . GLU B 1 442 ? 176.604 -50.260 125.108 1.00 115.36 ? 470 GLU B C 1 ATOM 6233 O O . GLU B 1 442 ? 176.828 -51.356 124.599 1.00 113.43 ? 470 GLU B O 1 ATOM 6234 C CB . GLU B 1 442 ? 174.928 -50.442 126.965 1.00 124.09 ? 470 GLU B CB 1 ATOM 6235 C CG . GLU B 1 442 ? 173.527 -50.198 127.508 1.00 134.28 ? 470 GLU B CG 1 ATOM 6236 C CD . GLU B 1 442 ? 173.280 -48.756 127.899 1.00 141.39 ? 470 GLU B CD 1 ATOM 6237 O OE1 . GLU B 1 442 ? 174.256 -48.049 128.228 1.00 139.52 ? 470 GLU B OE1 1 ATOM 6238 O OE2 . GLU B 1 442 ? 172.105 -48.330 127.877 1.00 147.12 ? 470 GLU B OE2 1 ATOM 6239 N N . PRO B 1 443 ? 177.576 -49.350 125.305 1.00 117.23 ? 471 PRO B N 1 ATOM 6240 C CA . PRO B 1 443 ? 177.451 -47.991 125.852 1.00 121.72 ? 471 PRO B CA 1 ATOM 6241 C C . PRO B 1 443 ? 176.812 -46.995 124.884 1.00 136.86 ? 471 PRO B C 1 ATOM 6242 O O . PRO B 1 443 ? 177.055 -47.029 123.677 1.00 139.81 ? 471 PRO B O 1 ATOM 6243 C CB . PRO B 1 443 ? 178.900 -47.600 126.149 1.00 117.86 ? 471 PRO B CB 1 ATOM 6244 C CG . PRO B 1 443 ? 179.695 -48.396 125.192 1.00 113.09 ? 471 PRO B CG 1 ATOM 6245 C CD . PRO B 1 443 ? 178.980 -49.701 125.039 1.00 113.10 ? 471 PRO B CD 1 ATOM 6246 N N . ASN B 1 444 ? 175.998 -46.105 125.445 1.00 125.84 ? 472 ASN B N 1 ATOM 6247 C CA . ASN B 1 444 ? 175.172 -45.176 124.687 1.00 139.71 ? 472 ASN B CA 1 ATOM 6248 C C . ASN B 1 444 ? 175.715 -43.754 124.731 1.00 146.26 ? 472 ASN B C 1 ATOM 6249 O O . ASN B 1 444 ? 175.977 -43.166 123.677 1.00 142.90 ? 472 ASN B O 1 ATOM 6250 C CB . ASN B 1 444 ? 173.718 -45.218 125.188 1.00 148.31 ? 472 ASN B CB 1 ATOM 6251 C CG . ASN B 1 444 ? 173.619 -45.141 126.693 1.00 153.37 ? 472 ASN B CG 1 ATOM 6252 O OD1 . ASN B 1 444 ? 174.511 -44.614 127.355 1.00 152.84 ? 472 ASN B OD1 1 ATOM 6253 N ND2 . ASN B 1 444 ? 172.534 -45.672 127.245 1.00 158.65 ? 472 ASN B ND2 1 ATOM 6254 N N . ASN B 1 445 ? 175.880 -43.186 125.931 1.00 147.39 ? 473 ASN B N 1 ATOM 6255 C CA . ASN B 1 445 ? 175.936 -41.740 126.151 1.00 155.30 ? 473 ASN B CA 1 ATOM 6256 C C . ASN B 1 445 ? 174.598 -41.107 125.754 1.00 172.04 ? 473 ASN B C 1 ATOM 6257 O O . ASN B 1 445 ? 174.460 -40.446 124.724 1.00 175.75 ? 473 ASN B O 1 ATOM 6258 C CB . ASN B 1 445 ? 177.118 -41.099 125.408 1.00 143.38 ? 473 ASN B CB 1 ATOM 6259 C CG . ASN B 1 445 ? 178.461 -41.457 126.023 1.00 126.20 ? 473 ASN B CG 1 ATOM 6260 O OD1 . ASN B 1 445 ? 179.163 -40.594 126.551 1.00 123.13 ? 473 ASN B OD1 1 ATOM 6261 N ND2 . ASN B 1 445 ? 178.819 -42.737 125.966 1.00 117.67 ? 473 ASN B ND2 1 ATOM 6262 N N . PHE B 1 446 ? 173.614 -41.351 126.631 1.00 151.51 ? 474 PHE B N 1 ATOM 6263 C CA . PHE B 1 446 ? 172.198 -41.175 126.314 1.00 161.30 ? 474 PHE B CA 1 ATOM 6264 C C . PHE B 1 446 ? 171.934 -39.831 125.655 1.00 170.05 ? 474 PHE B C 1 ATOM 6265 O O . PHE B 1 446 ? 172.439 -38.793 126.094 1.00 173.75 ? 474 PHE B O 1 ATOM 6266 C CB . PHE B 1 446 ? 171.357 -41.292 127.588 1.00 167.00 ? 474 PHE B CB 1 ATOM 6267 C CG . PHE B 1 446 ? 170.668 -42.620 127.754 1.00 164.85 ? 474 PHE B CG 1 ATOM 6268 C CD1 . PHE B 1 446 ? 170.155 -43.296 126.660 1.00 163.17 ? 474 PHE B CD1 1 ATOM 6269 C CD2 . PHE B 1 446 ? 170.528 -43.187 129.011 1.00 162.33 ? 474 PHE B CD2 1 ATOM 6270 C CE1 . PHE B 1 446 ? 169.516 -44.516 126.819 1.00 159.52 ? 474 PHE B CE1 1 ATOM 6271 C CE2 . PHE B 1 446 ? 169.894 -44.406 129.173 1.00 158.93 ? 474 PHE B CE2 1 ATOM 6272 C CZ . PHE B 1 446 ? 169.387 -45.070 128.077 1.00 157.20 ? 474 PHE B CZ 1 ATOM 6273 N N . ARG B 1 447 ? 171.130 -39.866 124.594 1.00 161.66 ? 475 ARG B N 1 ATOM 6274 C CA . ARG B 1 447 ? 170.896 -38.724 123.704 1.00 166.45 ? 475 ARG B CA 1 ATOM 6275 C C . ARG B 1 447 ? 172.259 -38.328 123.136 1.00 160.35 ? 475 ARG B C 1 ATOM 6276 O O . ARG B 1 447 ? 173.007 -39.212 122.687 1.00 155.61 ? 475 ARG B O 1 ATOM 6277 C CB . ARG B 1 447 ? 170.148 -37.633 124.458 1.00 175.28 ? 475 ARG B CB 1 ATOM 6278 C CG . ARG B 1 447 ? 168.910 -38.113 125.202 1.00 178.81 ? 475 ARG B CG 1 ATOM 6279 C CD . ARG B 1 447 ? 168.282 -36.989 126.019 1.00 186.00 ? 475 ARG B CD 1 ATOM 6280 N NE . ARG B 1 447 ? 167.783 -35.904 125.177 1.00 190.55 ? 475 ARG B NE 1 ATOM 6281 C CZ . ARG B 1 447 ? 168.460 -34.792 124.902 1.00 189.97 ? 475 ARG B CZ 1 ATOM 6282 N NH1 . ARG B 1 447 ? 169.673 -34.608 125.402 1.00 183.24 ? 475 ARG B NH1 1 ATOM 6283 N NH2 . ARG B 1 447 ? 167.923 -33.864 124.123 1.00 197.24 ? 475 ARG B NH2 1 ATOM 6284 N N . ASP B 1 448 ? 172.610 -37.046 123.097 1.00 164.48 ? 476 ASP B N 1 ATOM 6285 C CA . ASP B 1 448 ? 173.957 -36.607 122.761 1.00 153.68 ? 476 ASP B CA 1 ATOM 6286 C C . ASP B 1 448 ? 174.805 -36.303 123.992 1.00 152.71 ? 476 ASP B C 1 ATOM 6287 O O . ASP B 1 448 ? 175.913 -35.777 123.854 1.00 146.28 ? 476 ASP B O 1 ATOM 6288 C CB . ASP B 1 448 ? 173.905 -35.401 121.824 1.00 153.12 ? 476 ASP B CB 1 ATOM 6289 C CG . ASP B 1 448 ? 173.790 -35.811 120.371 1.00 146.72 ? 476 ASP B CG 1 ATOM 6290 O OD1 . ASP B 1 448 ? 172.725 -36.336 119.986 1.00 146.58 ? 476 ASP B OD1 1 ATOM 6291 O OD2 . ASP B 1 448 ? 174.767 -35.622 119.615 1.00 141.94 ? 476 ASP B OD2 1 ATOM 6292 N N . SER B 1 449 ? 174.303 -36.603 125.190 1.00 159.42 ? 477 SER B N 1 ATOM 6293 C CA . SER B 1 449 ? 175.005 -36.267 126.420 1.00 159.29 ? 477 SER B CA 1 ATOM 6294 C C . SER B 1 449 ? 176.240 -37.152 126.595 1.00 137.83 ? 477 SER B C 1 ATOM 6295 O O . SER B 1 449 ? 176.512 -38.061 125.807 1.00 134.83 ? 477 SER B O 1 ATOM 6296 C CB . SER B 1 449 ? 174.071 -36.414 127.618 1.00 170.34 ? 477 SER B CB 1 ATOM 6297 O OG . SER B 1 449 ? 173.703 -37.770 127.810 1.00 167.41 ? 477 SER B OG 1 ATOM 6298 N N . LEU B 1 450 ? 176.989 -36.883 127.664 1.00 136.03 ? 478 LEU B N 1 ATOM 6299 C CA . LEU B 1 450 ? 178.273 -37.525 127.931 1.00 130.84 ? 478 LEU B CA 1 ATOM 6300 C C . LEU B 1 450 ? 178.158 -38.342 129.214 1.00 131.25 ? 478 LEU B C 1 ATOM 6301 O O . LEU B 1 450 ? 178.103 -37.775 130.311 1.00 131.08 ? 478 LEU B O 1 ATOM 6302 C CB . LEU B 1 450 ? 179.370 -36.465 128.048 1.00 130.31 ? 478 LEU B CB 1 ATOM 6303 C CG . LEU B 1 450 ? 180.841 -36.793 127.783 1.00 128.17 ? 478 LEU B CG 1 ATOM 6304 C CD1 . LEU B 1 450 ? 181.111 -36.985 126.293 1.00 127.58 ? 478 LEU B CD1 1 ATOM 6305 C CD2 . LEU B 1 450 ? 181.730 -35.697 128.348 1.00 128.01 ? 478 LEU B CD2 1 ATOM 6306 N N . GLU B 1 451 ? 178.130 -39.671 129.085 1.00 127.08 ? 479 GLU B N 1 ATOM 6307 C CA . GLU B 1 451 ? 178.090 -40.580 130.235 1.00 124.84 ? 479 GLU B CA 1 ATOM 6308 C C . GLU B 1 451 ? 179.365 -41.423 130.242 1.00 117.74 ? 479 GLU B C 1 ATOM 6309 O O . GLU B 1 451 ? 179.480 -42.390 129.481 1.00 114.00 ? 479 GLU B O 1 ATOM 6310 C CB . GLU B 1 451 ? 176.844 -41.458 130.165 1.00 142.50 ? 479 GLU B CB 1 ATOM 6311 C CG . GLU B 1 451 ? 175.551 -40.674 130.008 1.00 167.61 ? 479 GLU B CG 1 ATOM 6312 C CD . GLU B 1 451 ? 174.333 -41.569 129.888 1.00 179.47 ? 479 GLU B CD 1 ATOM 6313 O OE1 . GLU B 1 451 ? 174.224 -42.285 128.871 1.00 177.92 ? 479 GLU B OE1 1 ATOM 6314 O OE2 . GLU B 1 451 ? 173.492 -41.563 130.815 1.00 188.33 ? 479 GLU B OE2 1 ATOM 6315 N N . ASP B 1 452 ? 180.302 -41.092 131.130 1.00 125.09 ? 480 ASP B N 1 ATOM 6316 C CA . ASP B 1 452 ? 181.644 -41.662 131.083 1.00 122.95 ? 480 ASP B CA 1 ATOM 6317 C C . ASP B 1 452 ? 181.902 -42.770 132.101 1.00 121.94 ? 480 ASP B C 1 ATOM 6318 O O . ASP B 1 452 ? 182.994 -43.347 132.102 1.00 120.15 ? 480 ASP B O 1 ATOM 6319 C CB . ASP B 1 452 ? 182.673 -40.542 131.242 1.00 122.53 ? 480 ASP B CB 1 ATOM 6320 C CG . ASP B 1 452 ? 182.554 -39.496 130.146 1.00 123.37 ? 480 ASP B CG 1 ATOM 6321 O OD1 . ASP B 1 452 ? 182.131 -39.862 129.030 1.00 123.50 ? 480 ASP B OD1 1 ATOM 6322 O OD2 . ASP B 1 452 ? 182.869 -38.313 130.397 1.00 123.94 ? 480 ASP B OD2 1 ATOM 6323 N N . CYS B 1 453 ? 180.943 -43.080 132.965 1.00 124.77 ? 481 CYS B N 1 ATOM 6324 C CA . CYS B 1 453 ? 181.107 -44.121 133.967 1.00 127.83 ? 481 CYS B CA 1 ATOM 6325 C C . CYS B 1 453 ? 180.022 -45.168 133.776 1.00 127.78 ? 481 CYS B C 1 ATOM 6326 O O . CYS B 1 453 ? 178.902 -44.850 133.373 1.00 136.04 ? 481 CYS B O 1 ATOM 6327 C CB . CYS B 1 453 ? 181.057 -43.548 135.390 1.00 136.29 ? 481 CYS B CB 1 ATOM 6328 S SG . CYS B 1 453 ? 182.600 -42.778 135.950 1.00 174.92 ? 481 CYS B SG 1 ATOM 6329 N N . VAL B 1 454 ? 180.361 -46.420 134.067 1.00 135.94 ? 482 VAL B N 1 ATOM 6330 C CA . VAL B 1 454 ? 179.499 -47.560 133.771 1.00 132.68 ? 482 VAL B CA 1 ATOM 6331 C C . VAL B 1 454 ? 178.974 -48.138 135.082 1.00 146.10 ? 482 VAL B C 1 ATOM 6332 O O . VAL B 1 454 ? 179.755 -48.496 135.974 1.00 149.03 ? 482 VAL B O 1 ATOM 6333 C CB . VAL B 1 454 ? 180.241 -48.617 132.938 1.00 117.40 ? 482 VAL B CB 1 ATOM 6334 C CG1 . VAL B 1 454 ? 179.707 -50.012 133.209 1.00 117.25 ? 482 VAL B CG1 1 ATOM 6335 C CG2 . VAL B 1 454 ? 180.115 -48.288 131.466 1.00 117.52 ? 482 VAL B CG2 1 ATOM 6336 N N . THR B 1 455 ? 177.647 -48.211 135.199 1.00 135.44 ? 483 THR B N 1 ATOM 6337 C CA . THR B 1 455 ? 176.965 -48.804 136.340 1.00 134.67 ? 483 THR B CA 1 ATOM 6338 C C . THR B 1 455 ? 176.668 -50.277 136.050 1.00 126.23 ? 483 THR B C 1 ATOM 6339 O O . THR B 1 455 ? 177.209 -50.865 135.113 1.00 122.27 ? 483 THR B O 1 ATOM 6340 C CB . THR B 1 455 ? 175.689 -48.024 136.655 1.00 143.76 ? 483 THR B CB 1 ATOM 6341 O OG1 . THR B 1 455 ? 174.655 -48.406 135.739 1.00 143.51 ? 483 THR B OG1 1 ATOM 6342 C CG2 . THR B 1 455 ? 175.937 -46.528 136.522 1.00 147.77 ? 483 THR B CG2 1 ATOM 6343 N N . ILE B 1 456 ? 175.834 -50.902 136.879 1.00 126.83 ? 484 ILE B N 1 ATOM 6344 C CA . ILE B 1 456 ? 175.245 -52.207 136.582 1.00 126.81 ? 484 ILE B CA 1 ATOM 6345 C C . ILE B 1 456 ? 173.767 -52.135 136.942 1.00 128.99 ? 484 ILE B C 1 ATOM 6346 O O . ILE B 1 456 ? 173.410 -51.607 138.000 1.00 130.07 ? 484 ILE B O 1 ATOM 6347 C CB . ILE B 1 456 ? 175.932 -53.360 137.344 1.00 125.40 ? 484 ILE B CB 1 ATOM 6348 C CG1 . ILE B 1 456 ? 177.386 -53.526 136.897 1.00 123.20 ? 484 ILE B CG1 1 ATOM 6349 C CG2 . ILE B 1 456 ? 175.174 -54.664 137.140 1.00 125.67 ? 484 ILE B CG2 1 ATOM 6350 C CD1 . ILE B 1 456 ? 178.078 -54.719 137.516 1.00 121.76 ? 484 ILE B CD1 1 ATOM 6351 N N . TRP B 1 457 ? 172.906 -52.647 136.062 1.00 123.32 ? 485 TRP B N 1 ATOM 6352 C CA . TRP B 1 457 ? 171.468 -52.593 136.285 1.00 137.11 ? 485 TRP B CA 1 ATOM 6353 C C . TRP B 1 457 ? 170.836 -53.925 135.902 1.00 131.71 ? 485 TRP B C 1 ATOM 6354 O O . TRP B 1 457 ? 171.434 -54.744 135.200 1.00 123.17 ? 485 TRP B O 1 ATOM 6355 C CB . TRP B 1 457 ? 170.811 -51.449 135.495 1.00 152.30 ? 485 TRP B CB 1 ATOM 6356 C CG . TRP B 1 457 ? 170.705 -50.136 136.235 1.00 168.34 ? 485 TRP B CG 1 ATOM 6357 C CD1 . TRP B 1 457 ? 171.020 -49.898 137.543 1.00 173.38 ? 485 TRP B CD1 1 ATOM 6358 C CD2 . TRP B 1 457 ? 170.242 -48.886 135.702 1.00 178.51 ? 485 TRP B CD2 1 ATOM 6359 N NE1 . TRP B 1 457 ? 170.786 -48.578 137.854 1.00 181.65 ? 485 TRP B NE1 1 ATOM 6360 C CE2 . TRP B 1 457 ? 170.307 -47.937 136.742 1.00 184.56 ? 485 TRP B CE2 1 ATOM 6361 C CE3 . TRP B 1 457 ? 169.781 -48.478 134.446 1.00 181.22 ? 485 TRP B CE3 1 ATOM 6362 C CZ2 . TRP B 1 457 ? 169.930 -46.607 136.564 1.00 190.72 ? 485 TRP B CZ2 1 ATOM 6363 C CZ3 . TRP B 1 457 ? 169.405 -47.157 134.273 1.00 187.27 ? 485 TRP B CZ3 1 ATOM 6364 C CH2 . TRP B 1 457 ? 169.482 -46.239 135.325 1.00 191.45 ? 485 TRP B CH2 1 ATOM 6365 N N . GLY B 1 458 ? 169.617 -54.137 136.398 1.00 143.36 ? 486 GLY B N 1 ATOM 6366 C CA . GLY B 1 458 ? 168.819 -55.286 136.043 1.00 146.43 ? 486 GLY B CA 1 ATOM 6367 C C . GLY B 1 458 ? 169.356 -56.593 136.590 1.00 144.98 ? 486 GLY B C 1 ATOM 6368 O O . GLY B 1 458 ? 170.379 -56.632 137.281 1.00 139.74 ? 486 GLY B O 1 ATOM 6369 N N . PRO B 1 459 ? 168.655 -57.696 136.302 1.00 149.03 ? 487 PRO B N 1 ATOM 6370 C CA . PRO B 1 459 ? 169.189 -59.017 136.682 1.00 146.06 ? 487 PRO B CA 1 ATOM 6371 C C . PRO B 1 459 ? 170.501 -59.350 135.991 1.00 142.02 ? 487 PRO B C 1 ATOM 6372 O O . PRO B 1 459 ? 171.405 -59.911 136.625 1.00 136.69 ? 487 PRO B O 1 ATOM 6373 C CB . PRO B 1 459 ? 168.066 -59.981 136.269 1.00 145.33 ? 487 PRO B CB 1 ATOM 6374 C CG . PRO B 1 459 ? 166.836 -59.134 136.191 1.00 153.96 ? 487 PRO B CG 1 ATOM 6375 C CD . PRO B 1 459 ? 167.301 -57.786 135.732 1.00 155.69 ? 487 PRO B CD 1 ATOM 6376 N N . GLU B 1 460 ? 170.627 -59.031 134.705 1.00 149.20 ? 488 GLU B N 1 ATOM 6377 C CA . GLU B 1 460 ? 171.882 -59.213 133.985 1.00 141.33 ? 488 GLU B CA 1 ATOM 6378 C C . GLU B 1 460 ? 172.201 -57.976 133.157 1.00 146.79 ? 488 GLU B C 1 ATOM 6379 O O . GLU B 1 460 ? 172.527 -56.921 133.702 1.00 152.03 ? 488 GLU B O 1 ATOM 6380 C CB . GLU B 1 460 ? 171.831 -60.449 133.081 1.00 133.11 ? 488 GLU B CB 1 ATOM 6381 C CG . GLU B 1 460 ? 171.662 -61.776 133.814 1.00 128.23 ? 488 GLU B CG 1 ATOM 6382 C CD . GLU B 1 460 ? 172.853 -62.138 134.691 1.00 119.80 ? 488 GLU B CD 1 ATOM 6383 O OE1 . GLU B 1 460 ? 172.719 -63.070 135.511 1.00 117.80 ? 488 GLU B OE1 1 ATOM 6384 O OE2 . GLU B 1 460 ? 173.922 -61.500 134.561 1.00 114.98 ? 488 GLU B OE2 1 ATOM 6385 N N . ARG B 1 462 ? 173.632 -55.327 132.566 1.00 111.98 ? 490 ARG B N 1 ATOM 6386 C CA . ARG B 1 462 ? 173.416 -54.056 131.884 1.00 123.80 ? 490 ARG B CA 1 ATOM 6387 C C . ARG B 1 462 ? 174.732 -53.370 131.547 1.00 122.36 ? 490 ARG B C 1 ATOM 6388 O O . ARG B 1 462 ? 175.109 -53.249 130.378 1.00 121.66 ? 490 ARG B O 1 ATOM 6389 C CB . ARG B 1 462 ? 172.562 -53.122 132.743 1.00 139.65 ? 490 ARG B CB 1 ATOM 6390 C CG . ARG B 1 462 ? 171.095 -53.082 132.365 1.00 151.44 ? 490 ARG B CG 1 ATOM 6391 C CD . ARG B 1 462 ? 170.710 -51.731 131.775 1.00 162.31 ? 490 ARG B CD 1 ATOM 6392 N NE . ARG B 1 462 ? 169.711 -51.042 132.584 1.00 175.16 ? 490 ARG B NE 1 ATOM 6393 C CZ . ARG B 1 462 ? 168.410 -51.314 132.564 1.00 182.61 ? 490 ARG B CZ 1 ATOM 6394 N NH1 . ARG B 1 462 ? 167.578 -50.633 133.338 1.00 187.09 ? 490 ARG B NH1 1 ATOM 6395 N NH2 . ARG B 1 462 ? 167.940 -52.268 131.772 1.00 182.24 ? 490 ARG B NH2 1 ATOM 6396 N N . TRP B 1 463 ? 175.413 -52.914 132.598 1.00 138.47 ? 491 TRP B N 1 ATOM 6397 C CA . TRP B 1 463 ? 176.673 -52.180 132.490 1.00 131.09 ? 491 TRP B CA 1 ATOM 6398 C C . TRP B 1 463 ? 176.480 -50.847 131.771 1.00 132.02 ? 491 TRP B C 1 ATOM 6399 O O . TRP B 1 463 ? 177.412 -50.311 131.173 1.00 129.17 ? 491 TRP B O 1 ATOM 6400 C CB . TRP B 1 463 ? 177.767 -53.017 131.815 1.00 108.22 ? 491 TRP B CB 1 ATOM 6401 C CG . TRP B 1 463 ? 178.053 -54.341 132.489 1.00 107.20 ? 491 TRP B CG 1 ATOM 6402 C CD1 . TRP B 1 463 ? 177.188 -55.089 133.241 1.00 108.21 ? 491 TRP B CD1 1 ATOM 6403 C CD2 . TRP B 1 463 ? 179.286 -55.074 132.461 1.00 105.13 ? 491 TRP B CD2 1 ATOM 6404 N NE1 . TRP B 1 463 ? 177.804 -56.235 133.678 1.00 106.73 ? 491 TRP B NE1 1 ATOM 6405 C CE2 . TRP B 1 463 ? 179.093 -56.250 133.213 1.00 104.89 ? 491 TRP B CE2 1 ATOM 6406 C CE3 . TRP B 1 463 ? 180.532 -54.852 131.869 1.00 103.49 ? 491 TRP B CE3 1 ATOM 6407 C CZ2 . TRP B 1 463 ? 180.100 -57.196 133.393 1.00 103.07 ? 491 TRP B CZ2 1 ATOM 6408 C CZ3 . TRP B 1 463 ? 181.532 -55.797 132.049 1.00 101.68 ? 491 TRP B CZ3 1 ATOM 6409 C CH2 . TRP B 1 463 ? 181.309 -56.951 132.806 1.00 101.48 ? 491 TRP B CH2 1 ATOM 6410 N N . ASN B 1 464 ? 175.271 -50.294 131.861 1.00 116.06 ? 492 ASN B N 1 ATOM 6411 C CA . ASN B 1 464 ? 174.950 -49.007 131.255 1.00 129.03 ? 492 ASN B CA 1 ATOM 6412 C C . ASN B 1 464 ? 175.921 -47.931 131.731 1.00 131.38 ? 492 ASN B C 1 ATOM 6413 O O . ASN B 1 464 ? 176.430 -47.980 132.854 1.00 136.30 ? 492 ASN B O 1 ATOM 6414 C CB . ASN B 1 464 ? 173.503 -48.639 131.613 1.00 145.17 ? 492 ASN B CB 1 ATOM 6415 C CG . ASN B 1 464 ? 173.123 -47.224 131.210 1.00 157.59 ? 492 ASN B CG 1 ATOM 6416 O OD1 . ASN B 1 464 ? 172.492 -47.013 130.177 1.00 161.83 ? 492 ASN B OD1 1 ATOM 6417 N ND2 . ASN B 1 464 ? 173.473 -46.250 132.045 1.00 161.66 ? 492 ASN B ND2 1 ATOM 6418 N N . ASP B 1 465 ? 176.200 -46.960 130.863 1.00 132.00 ? 493 ASP B N 1 ATOM 6419 C CA . ASP B 1 465 ? 177.081 -45.846 131.201 1.00 136.14 ? 493 ASP B CA 1 ATOM 6420 C C . ASP B 1 465 ? 176.261 -44.626 131.609 1.00 147.80 ? 493 ASP B C 1 ATOM 6421 O O . ASP B 1 465 ? 175.297 -44.265 130.927 1.00 153.89 ? 493 ASP B O 1 ATOM 6422 C CB . ASP B 1 465 ? 178.015 -45.500 130.038 1.00 134.40 ? 493 ASP B CB 1 ATOM 6423 C CG . ASP B 1 465 ? 177.312 -45.499 128.695 1.00 131.94 ? 493 ASP B CG 1 ATOM 6424 O OD1 . ASP B 1 465 ? 176.380 -46.310 128.515 1.00 131.80 ? 493 ASP B OD1 1 ATOM 6425 O OD2 . ASP B 1 465 ? 177.701 -44.695 127.819 1.00 129.53 ? 493 ASP B OD2 1 ATOM 6426 N N . SER B 1 466 ? 176.650 -43.995 132.712 1.00 134.00 ? 494 SER B N 1 ATOM 6427 C CA . SER B 1 466 ? 175.934 -42.874 133.307 1.00 143.68 ? 494 SER B CA 1 ATOM 6428 C C . SER B 1 466 ? 176.938 -41.883 133.870 1.00 148.99 ? 494 SER B C 1 ATOM 6429 O O . SER B 1 466 ? 178.082 -42.252 134.171 1.00 140.60 ? 494 SER B O 1 ATOM 6430 C CB . SER B 1 466 ? 174.976 -43.351 134.408 1.00 143.73 ? 494 SER B CB 1 ATOM 6431 O OG . SER B 1 466 ? 173.735 -42.672 134.330 1.00 150.13 ? 494 SER B OG 1 ATOM 6432 N N . PRO B 1 467 ? 176.554 -40.608 134.020 1.00 137.68 ? 495 PRO B N 1 ATOM 6433 C CA . PRO B 1 467 ? 177.521 -39.587 134.454 1.00 142.68 ? 495 PRO B CA 1 ATOM 6434 C C . PRO B 1 467 ? 178.102 -39.874 135.833 1.00 144.73 ? 495 PRO B C 1 ATOM 6435 O O . PRO B 1 467 ? 177.483 -40.534 136.671 1.00 145.96 ? 495 PRO B O 1 ATOM 6436 C CB . PRO B 1 467 ? 176.696 -38.294 134.457 1.00 151.82 ? 495 PRO B CB 1 ATOM 6437 C CG . PRO B 1 467 ? 175.600 -38.548 133.484 1.00 153.72 ? 495 PRO B CG 1 ATOM 6438 C CD . PRO B 1 467 ? 175.266 -40.005 133.626 1.00 147.07 ? 495 PRO B CD 1 ATOM 6439 N N . CYS B 1 468 ? 179.314 -39.353 136.062 1.00 146.38 ? 496 CYS B N 1 ATOM 6440 C CA . CYS B 1 468 ? 180.062 -39.673 137.276 1.00 144.19 ? 496 CYS B CA 1 ATOM 6441 C C . CYS B 1 468 ? 179.615 -38.861 138.487 1.00 147.68 ? 496 CYS B C 1 ATOM 6442 O O . CYS B 1 468 ? 179.706 -39.352 139.619 1.00 150.52 ? 496 CYS B O 1 ATOM 6443 C CB . CYS B 1 468 ? 181.561 -39.471 137.051 1.00 138.27 ? 496 CYS B CB 1 ATOM 6444 S SG . CYS B 1 468 ? 182.586 -40.017 138.448 1.00 168.29 ? 496 CYS B SG 1 ATOM 6445 N N . ASN B 1 469 ? 179.140 -37.627 138.287 1.00 141.24 ? 497 ASN B N 1 ATOM 6446 C CA . ASN B 1 469 ? 178.646 -36.848 139.418 1.00 141.09 ? 497 ASN B CA 1 ATOM 6447 C C . ASN B 1 469 ? 177.413 -37.480 140.054 1.00 145.47 ? 497 ASN B C 1 ATOM 6448 O O . ASN B 1 469 ? 176.971 -37.016 141.111 1.00 150.95 ? 497 ASN B O 1 ATOM 6449 C CB . ASN B 1 469 ? 178.346 -35.406 138.989 1.00 143.88 ? 497 ASN B CB 1 ATOM 6450 C CG . ASN B 1 469 ? 177.135 -35.298 138.080 1.00 149.36 ? 497 ASN B CG 1 ATOM 6451 O OD1 . ASN B 1 469 ? 176.906 -36.152 137.221 1.00 148.10 ? 497 ASN B OD1 1 ATOM 6452 N ND2 . ASN B 1 469 ? 176.350 -34.239 138.265 1.00 157.31 ? 497 ASN B ND2 1 ATOM 6453 N N . GLN B 1 470 ? 176.861 -38.520 139.433 1.00 145.06 ? 498 GLN B N 1 ATOM 6454 C CA . GLN B 1 470 ? 175.743 -39.257 139.999 1.00 143.67 ? 498 GLN B CA 1 ATOM 6455 C C . GLN B 1 470 ? 176.179 -40.046 141.230 1.00 145.10 ? 498 GLN B C 1 ATOM 6456 O O . GLN B 1 470 ? 177.240 -40.680 141.243 1.00 134.04 ? 498 GLN B O 1 ATOM 6457 C CB . GLN B 1 470 ? 175.161 -40.196 138.943 1.00 136.45 ? 498 GLN B CB 1 ATOM 6458 C CG . GLN B 1 470 ? 174.014 -41.057 139.420 1.00 138.41 ? 498 GLN B CG 1 ATOM 6459 C CD . GLN B 1 470 ? 173.278 -41.712 138.273 1.00 138.35 ? 498 GLN B CD 1 ATOM 6460 O OE1 . GLN B 1 470 ? 172.567 -42.698 138.460 1.00 137.98 ? 498 GLN B OE1 1 ATOM 6461 N NE2 . GLN B 1 470 ? 173.437 -41.159 137.078 1.00 138.86 ? 498 GLN B NE2 1 ATOM 6462 N N . SER B 1 471 ? 175.345 -40.003 142.270 1.00 135.98 ? 499 SER B N 1 ATOM 6463 C CA . SER B 1 471 ? 175.614 -40.687 143.532 1.00 137.09 ? 499 SER B CA 1 ATOM 6464 C C . SER B 1 471 ? 174.958 -42.062 143.497 1.00 132.51 ? 499 SER B C 1 ATOM 6465 O O . SER B 1 471 ? 173.727 -42.174 143.470 1.00 137.50 ? 499 SER B O 1 ATOM 6466 C CB . SER B 1 471 ? 175.101 -39.866 144.712 1.00 150.01 ? 499 SER B CB 1 ATOM 6467 O OG . SER B 1 471 ? 175.764 -38.617 144.800 1.00 154.67 ? 499 SER B OG 1 ATOM 6468 N N . LEU B 1 472 ? 175.779 -43.104 143.505 1.00 148.95 ? 500 LEU B N 1 ATOM 6469 C CA . LEU B 1 472 ? 175.337 -44.486 143.415 1.00 132.20 ? 500 LEU B CA 1 ATOM 6470 C C . LEU B 1 472 ? 176.138 -45.317 144.405 1.00 125.29 ? 500 LEU B C 1 ATOM 6471 O O . LEU B 1 472 ? 177.255 -44.940 144.779 1.00 122.30 ? 500 LEU B O 1 ATOM 6472 C CB . LEU B 1 472 ? 175.521 -45.034 141.991 1.00 125.76 ? 500 LEU B CB 1 ATOM 6473 C CG . LEU B 1 472 ? 174.787 -44.274 140.884 1.00 129.52 ? 500 LEU B CG 1 ATOM 6474 C CD1 . LEU B 1 472 ? 175.385 -44.574 139.515 1.00 125.11 ? 500 LEU B CD1 1 ATOM 6475 C CD2 . LEU B 1 472 ? 173.303 -44.605 140.913 1.00 134.08 ? 500 LEU B CD2 1 ATOM 6476 N N . PRO B 1 473 ? 175.590 -46.455 144.859 1.00 126.12 ? 501 PRO B N 1 ATOM 6477 C CA . PRO B 1 473 ? 176.380 -47.351 145.718 1.00 121.73 ? 501 PRO B CA 1 ATOM 6478 C C . PRO B 1 473 ? 177.588 -47.926 144.988 1.00 116.43 ? 501 PRO B C 1 ATOM 6479 O O . PRO B 1 473 ? 177.758 -47.686 143.789 1.00 115.99 ? 501 PRO B O 1 ATOM 6480 C CB . PRO B 1 473 ? 175.375 -48.443 146.115 1.00 123.41 ? 501 PRO B CB 1 ATOM 6481 C CG . PRO B 1 473 ? 174.245 -48.323 145.140 1.00 127.17 ? 501 PRO B CG 1 ATOM 6482 C CD . PRO B 1 473 ? 174.184 -46.879 144.759 1.00 130.58 ? 501 PRO B CD 1 ATOM 6483 N N . SER B 1 474 ? 178.419 -48.702 145.684 1.00 122.42 ? 502 SER B N 1 ATOM 6484 C CA . SER B 1 474 ? 179.727 -49.067 145.165 1.00 116.21 ? 502 SER B CA 1 ATOM 6485 C C . SER B 1 474 ? 180.078 -50.500 145.535 1.00 115.04 ? 502 SER B C 1 ATOM 6486 O O . SER B 1 474 ? 179.634 -51.023 146.560 1.00 115.67 ? 502 SER B O 1 ATOM 6487 C CB . SER B 1 474 ? 180.813 -48.122 145.698 1.00 115.49 ? 502 SER B CB 1 ATOM 6488 O OG . SER B 1 474 ? 180.425 -46.765 145.565 1.00 119.64 ? 502 SER B OG 1 ATOM 6489 N N . ILE B 1 475 ? 180.883 -51.124 144.676 1.00 126.03 ? 503 ILE B N 1 ATOM 6490 C CA . ILE B 1 475 ? 181.488 -52.429 144.914 1.00 120.86 ? 503 ILE B CA 1 ATOM 6491 C C . ILE B 1 475 ? 183.000 -52.218 144.983 1.00 115.52 ? 503 ILE B C 1 ATOM 6492 O O . ILE B 1 475 ? 183.497 -51.119 144.742 1.00 115.33 ? 503 ILE B O 1 ATOM 6493 C CB . ILE B 1 475 ? 181.114 -53.441 143.811 1.00 119.10 ? 503 ILE B CB 1 ATOM 6494 C CG1 . ILE B 1 475 ? 179.649 -53.252 143.401 1.00 124.19 ? 503 ILE B CG1 1 ATOM 6495 C CG2 . ILE B 1 475 ? 181.354 -54.873 144.261 1.00 114.30 ? 503 ILE B CG2 1 ATOM 6496 C CD1 . ILE B 1 475 ? 179.229 -54.090 142.222 1.00 122.98 ? 503 ILE B CD1 1 ATOM 6497 N N . CYS B 1 476 ? 183.738 -53.279 145.305 1.00 113.52 ? 504 CYS B N 1 ATOM 6498 C CA . CYS B 1 476 ? 185.180 -53.117 145.416 1.00 108.47 ? 504 CYS B CA 1 ATOM 6499 C C . CYS B 1 476 ? 185.892 -54.452 145.243 1.00 102.77 ? 504 CYS B C 1 ATOM 6500 O O . CYS B 1 476 ? 185.313 -55.526 145.435 1.00 102.86 ? 504 CYS B O 1 ATOM 6501 C CB . CYS B 1 476 ? 185.565 -52.469 146.750 1.00 109.89 ? 504 CYS B CB 1 ATOM 6502 S SG . CYS B 1 476 ? 186.501 -50.918 146.578 1.00 122.87 ? 504 CYS B SG 1 ATOM 6503 N N . LYS B 1 477 ? 187.172 -54.340 144.889 1.00 100.86 ? 505 LYS B N 1 ATOM 6504 C CA . LYS B 1 477 ? 188.114 -55.431 144.656 1.00 99.03 ? 505 LYS B CA 1 ATOM 6505 C C . LYS B 1 477 ? 188.033 -56.597 145.634 1.00 99.27 ? 505 LYS B C 1 ATOM 6506 O O . LYS B 1 477 ? 188.939 -57.429 145.681 1.00 98.34 ? 505 LYS B O 1 ATOM 6507 C CB . LYS B 1 477 ? 189.536 -54.859 144.678 1.00 97.84 ? 505 LYS B CB 1 ATOM 6508 C CG . LYS B 1 477 ? 189.731 -53.726 145.701 1.00 98.45 ? 505 LYS B CG 1 ATOM 6509 C CD . LYS B 1 477 ? 190.755 -52.703 145.212 1.00 97.59 ? 505 LYS B CD 1 ATOM 6510 C CE . LYS B 1 477 ? 190.700 -51.408 146.005 1.00 98.49 ? 505 LYS B CE 1 ATOM 6511 N NZ . LYS B 1 477 ? 191.178 -51.584 147.400 1.00 98.65 ? 505 LYS B NZ 1 HETATM 6512 CA CA . CA C 2 . ? 214.280 -52.709 127.232 1.00 61.67 ? 601 CA A CA 1 HETATM 6513 CA CA . CA D 2 . ? 221.791 -49.242 128.380 1.00 110.06 ? 602 CA A CA 1 HETATM 6514 CA CA . CA E 2 . ? 222.697 -47.287 109.484 1.00 83.21 ? 603 CA A CA 1 HETATM 6515 C C1 . NAG F 3 . ? 205.032 7.745 93.034 1.00 94.40 ? 604 NAG A C1 1 HETATM 6516 C C2 . NAG F 3 . ? 204.789 9.158 93.551 1.00 94.40 ? 604 NAG A C2 1 HETATM 6517 C C3 . NAG F 3 . ? 203.292 9.436 93.622 1.00 94.40 ? 604 NAG A C3 1 HETATM 6518 C C4 . NAG F 3 . ? 202.657 9.207 92.256 1.00 94.40 ? 604 NAG A C4 1 HETATM 6519 C C5 . NAG F 3 . ? 202.984 7.799 91.756 1.00 94.40 ? 604 NAG A C5 1 HETATM 6520 C C6 . NAG F 3 . ? 202.494 7.535 90.351 1.00 94.40 ? 604 NAG A C6 1 HETATM 6521 C C7 . NAG F 3 . ? 206.303 10.346 95.076 1.00 94.40 ? 604 NAG A C7 1 HETATM 6522 C C8 . NAG F 3 . ? 206.857 10.415 96.468 1.00 94.40 ? 604 NAG A C8 1 HETATM 6523 N N2 . NAG F 3 . ? 205.420 9.367 94.844 1.00 94.40 ? 604 NAG A N2 1 HETATM 6524 O O3 . NAG F 3 . ? 203.072 10.774 94.054 1.00 94.40 ? 604 NAG A O3 1 HETATM 6525 O O4 . NAG F 3 . ? 201.245 9.378 92.330 1.00 94.40 ? 604 NAG A O4 1 HETATM 6526 O O5 . NAG F 3 . ? 204.407 7.588 91.746 1.00 94.40 ? 604 NAG A O5 1 HETATM 6527 O O6 . NAG F 3 . ? 202.261 6.147 90.150 1.00 94.40 ? 604 NAG A O6 1 HETATM 6528 O O7 . NAG F 3 . ? 206.636 11.145 94.201 1.00 94.40 ? 604 NAG A O7 1 HETATM 6529 CA CA . CA G 2 . ? 181.393 -42.285 126.996 1.00 115.53 ? 601 CA B CA 1 HETATM 6530 CA CA . CA H 2 . ? 173.651 -45.134 129.462 1.00 150.76 ? 602 CA B CA 1 HETATM 6531 CA CA . CA I 2 . ? 172.320 -46.256 109.423 1.00 103.44 ? 603 CA B CA 1 HETATM 6532 C C1 . NAG J 3 . ? 189.965 -101.544 91.799 1.00 115.14 ? 604 NAG B C1 1 HETATM 6533 C C2 . NAG J 3 . ? 190.804 -102.573 92.576 1.00 115.14 ? 604 NAG B C2 1 HETATM 6534 C C3 . NAG J 3 . ? 192.242 -102.609 92.036 1.00 115.14 ? 604 NAG B C3 1 HETATM 6535 C C4 . NAG J 3 . ? 192.254 -102.812 90.527 1.00 115.14 ? 604 NAG B C4 1 HETATM 6536 C C5 . NAG J 3 . ? 191.400 -101.748 89.851 1.00 115.14 ? 604 NAG B C5 1 HETATM 6537 C C6 . NAG J 3 . ? 191.295 -101.943 88.355 1.00 115.14 ? 604 NAG B C6 1 HETATM 6538 C C7 . NAG J 3 . ? 190.551 -103.184 94.946 1.00 115.14 ? 604 NAG B C7 1 HETATM 6539 C C8 . NAG J 3 . ? 190.592 -102.688 96.360 1.00 115.14 ? 604 NAG B C8 1 HETATM 6540 N N2 . NAG J 3 . ? 190.801 -102.272 93.999 1.00 115.14 ? 604 NAG B N2 1 HETATM 6541 O O3 . NAG J 3 . ? 192.977 -103.660 92.656 1.00 115.14 ? 604 NAG B O3 1 HETATM 6542 O O4 . NAG J 3 . ? 193.583 -102.732 90.024 1.00 115.14 ? 604 NAG B O4 1 HETATM 6543 O O5 . NAG J 3 . ? 190.065 -101.807 90.374 1.00 115.14 ? 604 NAG B O5 1 HETATM 6544 O O6 . NAG J 3 . ? 190.499 -100.934 87.749 1.00 115.14 ? 604 NAG B O6 1 HETATM 6545 O O7 . NAG J 3 . ? 190.303 -104.357 94.674 1.00 115.14 ? 604 NAG B O7 1 HETATM 6546 O O . HOH K 4 . ? 218.025 -27.710 79.724 1.00 70.35 ? 701 HOH A O 1 HETATM 6547 O O . HOH K 4 . ? 231.956 -8.499 96.491 1.00 58.08 ? 702 HOH A O 1 HETATM 6548 O O . HOH K 4 . ? 233.363 -3.507 100.070 1.00 59.12 ? 703 HOH A O 1 HETATM 6549 O O . HOH K 4 . ? 209.387 -39.831 91.471 1.00 39.52 ? 704 HOH A O 1 HETATM 6550 O O . HOH K 4 . ? 215.705 -50.743 126.363 1.00 77.65 ? 705 HOH A O 1 HETATM 6551 O O . HOH K 4 . ? 207.139 -33.308 112.971 1.00 44.89 ? 706 HOH A O 1 HETATM 6552 O O . HOH K 4 . ? 233.454 20.495 92.566 1.00 35.50 ? 707 HOH A O 1 HETATM 6553 O O . HOH K 4 . ? 209.008 -59.629 146.375 1.00 83.58 ? 708 HOH A O 1 HETATM 6554 O O . HOH K 4 . ? 216.418 11.081 96.746 1.00 67.65 ? 709 HOH A O 1 HETATM 6555 O O . HOH K 4 . ? 221.634 -33.326 105.245 1.00 53.52 ? 710 HOH A O 1 HETATM 6556 O O . HOH K 4 . ? 222.782 -56.360 120.094 1.00 81.71 ? 711 HOH A O 1 HETATM 6557 O O . HOH K 4 . ? 204.767 -52.010 147.724 1.00 83.28 ? 712 HOH A O 1 HETATM 6558 O O . HOH K 4 . ? 208.906 -10.468 87.093 1.00 32.53 ? 713 HOH A O 1 HETATM 6559 O O . HOH K 4 . ? 221.006 -33.232 117.038 1.00 88.75 ? 714 HOH A O 1 HETATM 6560 O O . HOH K 4 . ? 193.134 -30.574 119.904 1.00 102.07 ? 715 HOH A O 1 HETATM 6561 O O . HOH K 4 . ? 227.137 -34.030 118.170 1.00 102.18 ? 716 HOH A O 1 HETATM 6562 O O . HOH K 4 . ? 217.070 -24.885 81.132 1.00 51.98 ? 717 HOH A O 1 HETATM 6563 O O . HOH K 4 . ? 227.200 -3.393 81.406 1.00 30.07 ? 718 HOH A O 1 HETATM 6564 O O . HOH K 4 . ? 215.073 -9.825 98.289 1.00 32.10 ? 719 HOH A O 1 HETATM 6565 O O . HOH K 4 . ? 229.343 1.811 100.078 1.00 49.61 ? 720 HOH A O 1 HETATM 6566 O O . HOH K 4 . ? 228.318 6.734 96.012 1.00 49.68 ? 721 HOH A O 1 HETATM 6567 O O . HOH K 4 . ? 224.442 -49.069 128.461 1.00 127.21 ? 722 HOH A O 1 HETATM 6568 O O . HOH K 4 . ? 201.829 -44.034 141.371 1.00 71.38 ? 723 HOH A O 1 HETATM 6569 O O . HOH K 4 . ? 191.667 -33.735 114.675 1.00 86.44 ? 724 HOH A O 1 HETATM 6570 O O . HOH K 4 . ? 215.876 1.340 94.085 1.00 30.84 ? 725 HOH A O 1 HETATM 6571 O O . HOH K 4 . ? 201.467 -24.306 96.107 1.00 30.32 ? 726 HOH A O 1 HETATM 6572 O O . HOH K 4 . ? 211.493 5.706 88.263 1.00 44.15 ? 727 HOH A O 1 HETATM 6573 O O . HOH K 4 . ? 195.039 -20.620 89.492 1.00 40.33 ? 728 HOH A O 1 HETATM 6574 O O . HOH K 4 . ? 208.785 -11.898 96.226 1.00 47.04 ? 729 HOH A O 1 HETATM 6575 O O . HOH K 4 . ? 223.957 -43.638 105.104 1.00 62.03 ? 730 HOH A O 1 HETATM 6576 O O . HOH K 4 . ? 210.855 -34.119 114.059 1.00 44.62 ? 731 HOH A O 1 HETATM 6577 O O . HOH K 4 . ? 224.682 -15.538 88.744 1.00 34.15 ? 732 HOH A O 1 HETATM 6578 O O . HOH K 4 . ? 209.109 -32.258 97.928 1.00 17.54 ? 733 HOH A O 1 HETATM 6579 O O . HOH K 4 . ? 237.935 21.787 86.963 1.00 27.16 ? 734 HOH A O 1 HETATM 6580 O O . HOH K 4 . ? 220.941 -28.860 110.269 1.00 86.47 ? 735 HOH A O 1 HETATM 6581 O O . HOH K 4 . ? 234.375 7.485 87.024 1.00 29.66 ? 736 HOH A O 1 HETATM 6582 O O . HOH K 4 . ? 222.165 -10.028 88.715 1.00 19.65 ? 737 HOH A O 1 HETATM 6583 O O . HOH K 4 . ? 229.488 -8.239 90.096 1.00 26.87 ? 738 HOH A O 1 HETATM 6584 O O . HOH K 4 . ? 207.936 -21.899 109.962 1.00 65.50 ? 739 HOH A O 1 HETATM 6585 O O . HOH K 4 . ? 221.264 -16.016 95.523 1.00 34.42 ? 740 HOH A O 1 HETATM 6586 O O . HOH K 4 . ? 189.877 -35.051 113.873 1.00 68.06 ? 741 HOH A O 1 HETATM 6587 O O . HOH K 4 . ? 215.460 -21.961 102.399 1.00 46.10 ? 742 HOH A O 1 HETATM 6588 O O . HOH K 4 . ? 221.871 -19.395 82.583 1.00 38.40 ? 743 HOH A O 1 HETATM 6589 O O . HOH K 4 . ? 205.323 -49.068 133.458 1.00 59.30 ? 744 HOH A O 1 HETATM 6590 O O . HOH K 4 . ? 221.522 -11.841 104.852 1.00 50.15 ? 745 HOH A O 1 HETATM 6591 O O . HOH K 4 . ? 207.167 -51.164 112.542 1.00 43.59 ? 746 HOH A O 1 HETATM 6592 O O . HOH K 4 . ? 209.720 -43.330 97.494 1.00 25.00 ? 747 HOH A O 1 HETATM 6593 O O . HOH K 4 . ? 230.913 -11.380 90.399 1.00 29.84 ? 748 HOH A O 1 HETATM 6594 O O . HOH K 4 . ? 219.630 -26.641 98.319 1.00 52.95 ? 749 HOH A O 1 HETATM 6595 O O . HOH K 4 . ? 222.979 -55.940 129.936 1.00 106.78 ? 750 HOH A O 1 HETATM 6596 O O . HOH K 4 . ? 211.328 -26.105 83.605 1.00 30.86 ? 751 HOH A O 1 HETATM 6597 O O . HOH K 4 . ? 206.233 -50.457 130.630 1.00 57.54 ? 752 HOH A O 1 HETATM 6598 O O . HOH K 4 . ? 237.787 19.634 90.463 1.00 28.23 ? 753 HOH A O 1 HETATM 6599 O O . HOH K 4 . ? 208.561 -34.921 91.651 1.00 29.55 ? 754 HOH A O 1 HETATM 6600 O O . HOH K 4 . ? 196.783 -25.590 83.579 1.00 41.33 ? 755 HOH A O 1 HETATM 6601 O O . HOH K 4 . ? 215.501 -11.744 82.726 1.00 29.30 ? 756 HOH A O 1 HETATM 6602 O O . HOH K 4 . ? 216.450 -48.980 145.636 1.00 90.29 ? 757 HOH A O 1 HETATM 6603 O O . HOH K 4 . ? 223.009 -50.709 130.518 1.00 117.21 ? 758 HOH A O 1 HETATM 6604 O O . HOH K 4 . ? 218.634 -56.198 144.934 1.00 87.85 ? 759 HOH A O 1 HETATM 6605 O O . HOH K 4 . ? 204.881 -32.459 116.831 1.00 61.13 ? 760 HOH A O 1 HETATM 6606 O O . HOH K 4 . ? 196.832 -18.539 83.734 1.00 42.75 ? 761 HOH A O 1 HETATM 6607 O O . HOH K 4 . ? 222.059 -8.134 107.595 1.00 52.92 ? 762 HOH A O 1 HETATM 6608 O O . HOH K 4 . ? 215.639 -33.288 93.704 1.00 37.15 ? 763 HOH A O 1 HETATM 6609 O O . HOH K 4 . ? 206.992 -36.486 96.596 1.00 22.47 ? 764 HOH A O 1 HETATM 6610 O O . HOH K 4 . ? 223.777 14.094 85.313 1.00 37.39 ? 765 HOH A O 1 HETATM 6611 O O . HOH K 4 . ? 212.092 -40.268 95.532 1.00 31.58 ? 766 HOH A O 1 HETATM 6612 O O . HOH K 4 . ? 227.753 2.162 85.800 1.00 27.06 ? 767 HOH A O 1 HETATM 6613 O O . HOH K 4 . ? 228.510 -7.233 95.313 1.00 31.43 ? 768 HOH A O 1 HETATM 6614 O O . HOH K 4 . ? 191.892 -40.365 119.892 1.00 56.14 ? 769 HOH A O 1 HETATM 6615 O O . HOH K 4 . ? 208.342 -34.672 94.239 1.00 24.18 ? 770 HOH A O 1 HETATM 6616 O O . HOH K 4 . ? 206.470 -47.322 96.350 1.00 50.65 ? 771 HOH A O 1 HETATM 6617 O O . HOH K 4 . ? 226.059 -7.725 105.465 1.00 60.57 ? 772 HOH A O 1 HETATM 6618 O O . HOH K 4 . ? 195.260 -25.924 87.001 1.00 36.45 ? 773 HOH A O 1 HETATM 6619 O O . HOH K 4 . ? 213.968 -18.460 76.968 1.00 59.84 ? 774 HOH A O 1 HETATM 6620 O O . HOH K 4 . ? 206.872 -12.867 89.421 1.00 34.38 ? 775 HOH A O 1 HETATM 6621 O O . HOH K 4 . ? 212.440 -0.497 100.290 1.00 41.88 ? 776 HOH A O 1 HETATM 6622 O O . HOH K 4 . ? 203.413 -43.795 131.708 1.00 62.35 ? 777 HOH A O 1 HETATM 6623 O O . HOH K 4 . ? 209.345 -37.073 85.016 1.00 53.95 ? 778 HOH A O 1 HETATM 6624 O O . HOH K 4 . ? 214.505 -29.680 87.287 1.00 35.42 ? 779 HOH A O 1 HETATM 6625 O O . HOH K 4 . ? 230.140 -9.472 77.398 1.00 42.75 ? 780 HOH A O 1 HETATM 6626 O O . HOH K 4 . ? 226.602 -17.874 87.650 1.00 55.11 ? 781 HOH A O 1 HETATM 6627 O O . HOH K 4 . ? 225.704 2.456 83.357 1.00 38.70 ? 782 HOH A O 1 HETATM 6628 O O . HOH K 4 . ? 209.701 -30.146 76.233 1.00 62.64 ? 783 HOH A O 1 HETATM 6629 O O . HOH K 4 . ? 202.490 -14.019 89.404 1.00 40.50 ? 784 HOH A O 1 HETATM 6630 O O . HOH K 4 . ? 201.687 -19.029 73.726 1.00 57.62 ? 785 HOH A O 1 HETATM 6631 O O . HOH K 4 . ? 220.320 -9.407 77.861 1.00 27.72 ? 786 HOH A O 1 HETATM 6632 O O . HOH K 4 . ? 195.862 -23.823 116.704 1.00 98.33 ? 787 HOH A O 1 HETATM 6633 O O . HOH K 4 . ? 222.457 -48.413 107.236 1.00 74.70 ? 788 HOH A O 1 HETATM 6634 O O . HOH K 4 . ? 213.393 -3.676 104.758 1.00 46.84 ? 789 HOH A O 1 HETATM 6635 O O . HOH K 4 . ? 226.282 -3.343 100.660 1.00 41.60 ? 790 HOH A O 1 HETATM 6636 O O . HOH K 4 . ? 201.779 -24.348 111.784 1.00 47.40 ? 791 HOH A O 1 HETATM 6637 O O . HOH K 4 . ? 230.570 -3.868 81.760 1.00 30.67 ? 792 HOH A O 1 HETATM 6638 O O . HOH K 4 . ? 197.208 -27.138 101.749 1.00 53.05 ? 793 HOH A O 1 HETATM 6639 O O . HOH K 4 . ? 210.535 -26.885 110.954 1.00 58.41 ? 794 HOH A O 1 HETATM 6640 O O . HOH K 4 . ? 227.267 0.729 101.354 1.00 50.86 ? 795 HOH A O 1 HETATM 6641 O O . HOH K 4 . ? 224.909 -2.036 102.519 1.00 46.76 ? 796 HOH A O 1 HETATM 6642 O O . HOH K 4 . ? 217.745 -0.348 81.840 1.00 48.14 ? 797 HOH A O 1 HETATM 6643 O O . HOH K 4 . ? 200.129 -15.328 90.725 1.00 40.16 ? 798 HOH A O 1 HETATM 6644 O O . HOH K 4 . ? 235.227 23.927 89.641 1.00 37.18 ? 799 HOH A O 1 HETATM 6645 O O . HOH K 4 . ? 204.394 -13.629 90.967 1.00 41.07 ? 800 HOH A O 1 HETATM 6646 O O . HOH K 4 . ? 229.245 -37.465 105.874 1.00 66.56 ? 801 HOH A O 1 HETATM 6647 O O . HOH K 4 . ? 223.238 8.129 88.089 1.00 35.90 ? 802 HOH A O 1 HETATM 6648 O O . HOH K 4 . ? 224.176 6.477 86.171 1.00 41.61 ? 803 HOH A O 1 HETATM 6649 O O . HOH K 4 . ? 199.940 -26.892 102.354 1.00 32.98 ? 804 HOH A O 1 HETATM 6650 O O . HOH K 4 . ? 221.030 -19.915 94.852 1.00 43.18 ? 805 HOH A O 1 HETATM 6651 O O . HOH K 4 . ? 232.974 -4.296 80.943 1.00 31.62 ? 806 HOH A O 1 HETATM 6652 O O . HOH K 4 . ? 194.852 -24.535 119.009 1.00 103.98 ? 807 HOH A O 1 HETATM 6653 O O . HOH K 4 . ? 212.218 -40.442 93.031 1.00 36.83 ? 808 HOH A O 1 HETATM 6654 O O . HOH K 4 . ? 214.290 -32.266 88.203 1.00 41.48 ? 809 HOH A O 1 HETATM 6655 O O . HOH K 4 . ? 208.511 -37.088 87.276 1.00 45.38 ? 810 HOH A O 1 HETATM 6656 O O . HOH K 4 . ? 206.786 -44.575 95.432 1.00 43.83 ? 811 HOH A O 1 HETATM 6657 O O . HOH K 4 . ? 200.739 -9.857 82.853 1.00 81.74 ? 812 HOH A O 1 HETATM 6658 O O . HOH K 4 . ? 224.159 -19.200 95.060 1.00 49.06 ? 813 HOH A O 1 HETATM 6659 O O . HOH K 4 . ? 201.594 -22.020 110.045 1.00 52.78 ? 814 HOH A O 1 HETATM 6660 O O . HOH K 4 . ? 200.497 -37.234 146.271 1.00 83.03 ? 815 HOH A O 1 HETATM 6661 O O . HOH K 4 . ? 226.052 -20.490 96.038 1.00 68.47 ? 816 HOH A O 1 HETATM 6662 O O . HOH K 4 . ? 201.606 -7.984 84.341 1.00 86.90 ? 817 HOH A O 1 HETATM 6663 O O . HOH K 4 . ? 202.217 -5.253 90.957 1.00 56.56 ? 818 HOH A O 1 HETATM 6664 O O . HOH K 4 . ? 202.991 -7.482 87.573 1.00 77.41 ? 819 HOH A O 1 HETATM 6665 O O . HOH K 4 . ? 207.429 -36.236 155.908 1.00 53.76 ? 820 HOH A O 1 HETATM 6666 O O . HOH K 4 . ? 208.812 -34.347 155.182 1.00 76.04 ? 821 HOH A O 1 HETATM 6667 O O . HOH L 4 . ? 204.610 -67.700 108.297 1.00 72.34 ? 701 HOH B O 1 HETATM 6668 O O . HOH L 4 . ? 186.351 -75.285 77.108 1.00 53.84 ? 702 HOH B O 1 HETATM 6669 O O . HOH L 4 . ? 174.840 -38.498 118.988 1.00 136.64 ? 703 HOH B O 1 HETATM 6670 O O . HOH L 4 . ? 185.627 -82.632 96.426 1.00 50.79 ? 704 HOH B O 1 HETATM 6671 O O . HOH L 4 . ? 178.303 -106.421 100.461 1.00 81.67 ? 705 HOH B O 1 HETATM 6672 O O . HOH L 4 . ? 172.054 -46.777 138.875 1.00 150.93 ? 706 HOH B O 1 HETATM 6673 O O . HOH L 4 . ? 185.826 -83.656 86.752 1.00 43.16 ? 707 HOH B O 1 HETATM 6674 O O . HOH L 4 . ? 173.276 -60.942 105.695 1.00 61.82 ? 708 HOH B O 1 HETATM 6675 O O . HOH L 4 . ? 170.746 -57.925 122.837 1.00 128.17 ? 709 HOH B O 1 HETATM 6676 O O . HOH L 4 . ? 178.659 -95.622 94.180 1.00 51.65 ? 710 HOH B O 1 HETATM 6677 O O . HOH L 4 . ? 175.130 -57.297 132.843 1.00 119.18 ? 711 HOH B O 1 HETATM 6678 O O . HOH L 4 . ? 193.493 -69.335 110.936 1.00 63.28 ? 712 HOH B O 1 HETATM 6679 O O . HOH L 4 . ? 199.230 -73.658 89.212 1.00 47.70 ? 713 HOH B O 1 HETATM 6680 O O . HOH L 4 . ? 165.981 -87.174 94.876 1.00 38.74 ? 714 HOH B O 1 HETATM 6681 O O . HOH L 4 . ? 194.861 -57.777 133.674 1.00 109.94 ? 715 HOH B O 1 HETATM 6682 O O . HOH L 4 . ? 167.565 -94.870 101.275 1.00 59.38 ? 716 HOH B O 1 HETATM 6683 O O . HOH L 4 . ? 194.332 -56.455 103.657 1.00 40.26 ? 717 HOH B O 1 HETATM 6684 O O . HOH L 4 . ? 173.710 -77.681 99.411 1.00 50.49 ? 718 HOH B O 1 HETATM 6685 O O . HOH L 4 . ? 161.438 -96.131 96.549 1.00 47.61 ? 719 HOH B O 1 HETATM 6686 O O . HOH L 4 . ? 168.727 -59.682 132.964 1.00 136.52 ? 720 HOH B O 1 HETATM 6687 O O . HOH L 4 . ? 195.089 -74.690 80.692 1.00 43.15 ? 721 HOH B O 1 HETATM 6688 O O . HOH L 4 . ? 164.040 -85.451 93.015 1.00 38.13 ? 722 HOH B O 1 HETATM 6689 O O . HOH L 4 . ? 183.048 -67.732 83.583 1.00 40.66 ? 723 HOH B O 1 HETATM 6690 O O . HOH L 4 . ? 165.087 -85.998 90.169 1.00 26.35 ? 724 HOH B O 1 HETATM 6691 O O . HOH L 4 . ? 197.717 -68.804 83.199 1.00 48.71 ? 725 HOH B O 1 HETATM 6692 O O . HOH L 4 . ? 186.319 -67.322 114.948 1.00 63.44 ? 726 HOH B O 1 HETATM 6693 O O . HOH L 4 . ? 180.141 -64.834 87.267 1.00 40.33 ? 727 HOH B O 1 HETATM 6694 O O . HOH L 4 . ? 182.301 -93.934 83.388 1.00 55.78 ? 728 HOH B O 1 HETATM 6695 O O . HOH L 4 . ? 163.829 -80.442 84.450 1.00 22.36 ? 729 HOH B O 1 HETATM 6696 O O . HOH L 4 . ? 183.153 -71.831 75.499 1.00 55.25 ? 730 HOH B O 1 HETATM 6697 O O . HOH L 4 . ? 190.688 -61.537 85.672 1.00 29.82 ? 731 HOH B O 1 HETATM 6698 O O . HOH L 4 . ? 172.569 -63.820 102.441 1.00 60.22 ? 732 HOH B O 1 HETATM 6699 O O . HOH L 4 . ? 197.634 -75.779 83.679 1.00 49.16 ? 733 HOH B O 1 HETATM 6700 O O . HOH L 4 . ? 176.740 -93.994 81.516 1.00 51.58 ? 734 HOH B O 1 HETATM 6701 O O . HOH L 4 . ? 201.038 -65.396 90.340 1.00 25.19 ? 735 HOH B O 1 HETATM 6702 O O . HOH L 4 . ? 169.354 -80.085 76.938 1.00 40.61 ? 736 HOH B O 1 HETATM 6703 O O . HOH L 4 . ? 159.111 -89.570 82.317 1.00 25.79 ? 737 HOH B O 1 HETATM 6704 O O . HOH L 4 . ? 175.779 -79.582 76.583 1.00 43.76 ? 738 HOH B O 1 HETATM 6705 O O . HOH L 4 . ? 199.412 -68.405 86.799 1.00 36.11 ? 739 HOH B O 1 HETATM 6706 O O . HOH L 4 . ? 178.565 -71.911 101.954 1.00 49.73 ? 740 HOH B O 1 HETATM 6707 O O . HOH L 4 . ? 179.910 -49.011 140.517 1.00 96.62 ? 741 HOH B O 1 HETATM 6708 O O . HOH L 4 . ? 181.495 -84.710 80.218 1.00 35.68 ? 742 HOH B O 1 HETATM 6709 O O . HOH L 4 . ? 180.570 -79.107 99.237 1.00 55.18 ? 743 HOH B O 1 HETATM 6710 O O . HOH L 4 . ? 166.607 -77.394 86.024 1.00 36.73 ? 744 HOH B O 1 HETATM 6711 O O . HOH L 4 . ? 194.623 -78.878 90.301 1.00 40.49 ? 745 HOH B O 1 HETATM 6712 O O . HOH L 4 . ? 168.104 -79.917 86.646 1.00 28.73 ? 746 HOH B O 1 HETATM 6713 O O . HOH L 4 . ? 187.882 -67.736 76.379 1.00 55.15 ? 747 HOH B O 1 HETATM 6714 O O . HOH L 4 . ? 201.556 -64.474 110.243 1.00 85.29 ? 748 HOH B O 1 HETATM 6715 O O . HOH L 4 . ? 169.155 -78.352 78.747 1.00 34.89 ? 749 HOH B O 1 HETATM 6716 O O . HOH L 4 . ? 201.185 -56.272 105.250 1.00 58.91 ? 750 HOH B O 1 HETATM 6717 O O . HOH L 4 . ? 196.512 -55.547 132.988 1.00 108.57 ? 751 HOH B O 1 HETATM 6718 O O . HOH L 4 . ? 187.053 -40.751 121.092 1.00 67.44 ? 752 HOH B O 1 HETATM 6719 O O . HOH L 4 . ? 164.175 -84.704 77.151 1.00 43.98 ? 753 HOH B O 1 HETATM 6720 O O . HOH L 4 . ? 166.527 -83.335 100.551 1.00 42.87 ? 754 HOH B O 1 HETATM 6721 O O . HOH L 4 . ? 173.264 -71.331 83.653 1.00 49.78 ? 755 HOH B O 1 HETATM 6722 O O . HOH L 4 . ? 180.903 -103.217 86.527 1.00 68.78 ? 756 HOH B O 1 HETATM 6723 O O . HOH L 4 . ? 184.951 -60.976 81.662 1.00 49.74 ? 757 HOH B O 1 HETATM 6724 O O . HOH L 4 . ? 164.051 -90.488 81.540 1.00 23.39 ? 758 HOH B O 1 HETATM 6725 O O . HOH L 4 . ? 197.521 -59.930 117.357 1.00 79.43 ? 759 HOH B O 1 HETATM 6726 O O . HOH L 4 . ? 201.462 -59.505 104.313 1.00 54.56 ? 760 HOH B O 1 HETATM 6727 O O . HOH L 4 . ? 205.854 -59.592 112.857 1.00 76.09 ? 761 HOH B O 1 HETATM 6728 O O . HOH L 4 . ? 174.257 -37.721 136.467 1.00 133.06 ? 762 HOH B O 1 HETATM 6729 O O . HOH L 4 . ? 186.552 -86.253 87.173 1.00 56.06 ? 763 HOH B O 1 HETATM 6730 O O . HOH L 4 . ? 177.239 -33.569 119.457 1.00 62.42 ? 764 HOH B O 1 HETATM 6731 O O . HOH L 4 . ? 161.441 -89.975 81.073 1.00 28.04 ? 765 HOH B O 1 HETATM 6732 O O . HOH L 4 . ? 187.999 -89.833 90.524 1.00 58.35 ? 766 HOH B O 1 HETATM 6733 O O . HOH L 4 . ? 164.258 -105.223 92.114 1.00 45.50 ? 767 HOH B O 1 HETATM 6734 O O . HOH L 4 . ? 160.744 -107.935 101.372 1.00 77.75 ? 768 HOH B O 1 HETATM 6735 O O . HOH L 4 . ? 181.782 -73.937 103.678 1.00 52.09 ? 769 HOH B O 1 HETATM 6736 O O . HOH L 4 . ? 164.601 -78.354 87.825 1.00 42.79 ? 770 HOH B O 1 HETATM 6737 O O . HOH L 4 . ? 169.861 -78.970 99.054 1.00 53.62 ? 771 HOH B O 1 HETATM 6738 O O . HOH L 4 . ? 182.221 -93.615 81.039 1.00 52.40 ? 772 HOH B O 1 HETATM 6739 O O . HOH L 4 . ? 168.015 -81.229 98.978 1.00 46.59 ? 773 HOH B O 1 HETATM 6740 O O . HOH L 4 . ? 185.662 -69.414 114.304 1.00 46.60 ? 774 HOH B O 1 HETATM 6741 O O . HOH L 4 . ? 177.761 -71.014 107.548 1.00 82.54 ? 775 HOH B O 1 HETATM 6742 O O . HOH L 4 . ? 189.673 -60.887 137.744 1.00 65.63 ? 776 HOH B O 1 HETATM 6743 O O . HOH L 4 . ? 176.212 -72.746 106.634 1.00 74.55 ? 777 HOH B O 1 HETATM 6744 O O . HOH L 4 . ? 190.865 -63.418 136.912 1.00 73.36 ? 778 HOH B O 1 HETATM 6745 O O . HOH L 4 . ? 175.225 -73.311 108.937 1.00 70.23 ? 779 HOH B O 1 HETATM 6746 O O . HOH L 4 . ? 180.981 -65.020 135.640 1.00 61.87 ? 780 HOH B O 1 HETATM 6747 O O . HOH L 4 . ? 181.359 -64.965 137.861 1.00 50.63 ? 781 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . GLU A 12 ? 1.2300 1.0650 1.3197 -0.0867 0.2730 -0.0456 40 GLU A N 2 C CA . GLU A 12 ? 1.0007 0.8525 1.0503 -0.0855 0.2394 -0.0446 40 GLU A CA 3 C C . GLU A 12 ? 0.8919 0.7205 0.8758 -0.0996 0.2342 -0.0582 40 GLU A C 4 O O . GLU A 12 ? 0.7967 0.6142 0.7704 -0.1050 0.2405 -0.0631 40 GLU A O 5 C CB . GLU A 12 ? 0.8856 0.7782 0.9630 -0.0733 0.2094 -0.0296 40 GLU A CB 6 C CG . GLU A 12 ? 0.6829 0.5948 0.7353 -0.0703 0.1798 -0.0264 40 GLU A CG 7 C CD . GLU A 12 ? 0.6243 0.5699 0.6960 -0.0621 0.1540 -0.0142 40 GLU A CD 8 O OE1 . GLU A 12 ? 0.5661 0.5248 0.6781 -0.0577 0.1562 -0.0042 40 GLU A OE1 9 O OE2 . GLU A 12 ? 0.6198 0.5774 0.6666 -0.0614 0.1324 -0.0143 40 GLU A OE2 10 N N . PRO A 13 ? 0.9478 0.7683 0.8888 -0.1069 0.2221 -0.0629 41 PRO A N 11 C CA . PRO A 13 ? 0.9401 0.7369 0.8204 -0.1239 0.2141 -0.0722 41 PRO A CA 12 C C . PRO A 13 ? 0.7770 0.5983 0.6507 -0.1191 0.1820 -0.0651 41 PRO A C 13 O O . PRO A 13 ? 0.5624 0.4179 0.4649 -0.1047 0.1624 -0.0550 41 PRO A O 14 C CB . PRO A 13 ? 0.9495 0.7333 0.7973 -0.1329 0.2108 -0.0760 41 PRO A CB 15 C CG . PRO A 13 ? 0.8532 0.6719 0.7432 -0.1146 0.1982 -0.0651 41 PRO A CG 16 C CD . PRO A 13 ? 0.9078 0.7407 0.8558 -0.1013 0.2134 -0.0582 41 PRO A CD 17 N N . ASN A 14 ? 0.8627 0.6630 0.6966 -0.1333 0.1779 -0.0703 42 ASN A N 18 C CA . ASN A 14 ? 0.7412 0.5568 0.5644 -0.1324 0.1490 -0.0638 42 ASN A CA 19 C C . ASN A 14 ? 0.5734 0.4134 0.4341 -0.1178 0.1455 -0.0580 42 ASN A C 20 O O . ASN A 14 ? 0.5377 0.3940 0.3981 -0.1140 0.1229 -0.0519 42 ASN A O 21 C CB . ASN A 14 ? 0.6527 0.4907 0.4763 -0.1276 0.1226 -0.0562 42 ASN A CB 22 C CG . ASN A 14 ? 0.6756 0.4906 0.4601 -0.1442 0.1209 -0.0601 42 ASN A CG 23 O OD1 . ASN A 14 ? 0.8063 0.5883 0.5470 -0.1650 0.1243 -0.0653 42 ASN A OD1 24 N ND2 . ASN A 14 ? 0.6617 0.4924 0.4593 -0.1371 0.1154 -0.0572 42 ASN A ND2 25 N N . ILE A 15 ? 0.5783 0.4235 0.4769 -0.1092 0.1661 -0.0580 43 ILE A N 26 C CA . ILE A 15 ? 0.5455 0.4100 0.4780 -0.0987 0.1645 -0.0523 43 ILE A CA 27 C C . ILE A 15 ? 0.6087 0.4457 0.5208 -0.1098 0.1801 -0.0607 43 ILE A C 28 O O . ILE A 15 ? 0.7308 0.5358 0.6281 -0.1216 0.2071 -0.0707 43 ILE A O 29 C CB . ILE A 15 ? 0.5022 0.3863 0.4915 -0.0862 0.1769 -0.0447 43 ILE A CB 30 C CG1 . ILE A 15 ? 0.4820 0.3850 0.4839 -0.0794 0.1650 -0.0376 43 ILE A CG1 31 C CG2 . ILE A 15 ? 0.4749 0.3843 0.4997 -0.0763 0.1684 -0.0357 43 ILE A CG2 32 C CD1 . ILE A 15 ? 0.4547 0.3839 0.4521 -0.0732 0.1359 -0.0307 43 ILE A CD1 33 N N . PHE A 16 ? 0.5436 0.3913 0.4559 -0.1067 0.1654 -0.0570 44 PHE A N 34 C CA . PHE A 16 ? 0.5825 0.4042 0.4727 -0.1179 0.1776 -0.0644 44 PHE A CA 35 C C . PHE A 16 ? 0.5444 0.3901 0.4707 -0.1052 0.1721 -0.0579 44 PHE A C 36 O O . PHE A 16 ? 0.5062 0.3857 0.4600 -0.0913 0.1521 -0.0476 44 PHE A O 37 C CB . PHE A 16 ? 0.6192 0.4160 0.4503 -0.1357 0.1612 -0.0674 44 PHE A CB 38 C CG . PHE A 16 ? 0.5757 0.3972 0.4070 -0.1288 0.1269 -0.0566 44 PHE A CG 39 C CD1 . PHE A 16 ? 0.5588 0.3957 0.3940 -0.1244 0.1132 -0.0519 44 PHE A CD1 40 C CD2 . PHE A 16 ? 0.5676 0.3951 0.3974 -0.1273 0.1103 -0.0513 44 PHE A CD2 41 C CE1 . PHE A 16 ? 0.5355 0.3923 0.3754 -0.1191 0.0862 -0.0428 44 PHE A CE1 42 C CE2 . PHE A 16 ? 0.5440 0.3913 0.3794 -0.1216 0.0826 -0.0414 44 PHE A CE2 43 C CZ . PHE A 16 ? 0.5287 0.3900 0.3700 -0.1177 0.0719 -0.0375 44 PHE A CZ 44 N N . LEU A 17 ? 0.5659 0.3921 0.4915 -0.1115 0.1921 -0.0645 45 LEU A N 45 C CA . LEU A 17 ? 0.5467 0.3891 0.4947 -0.1035 0.1857 -0.0598 45 LEU A CA 46 C C . LEU A 17 ? 0.5678 0.3917 0.4672 -0.1150 0.1694 -0.0623 45 LEU A C 47 O O . LEU A 17 ? 0.6100 0.3986 0.4588 -0.1342 0.1736 -0.0700 45 LEU A O 48 C CB . LEU A 17 ? 0.5568 0.3896 0.5381 -0.1036 0.2174 -0.0645 45 LEU A CB 49 C CG . LEU A 17 ? 0.5214 0.3859 0.5731 -0.0881 0.2244 -0.0538 45 LEU A CG 50 C CD1 . LEU A 17 ? 0.5138 0.3856 0.5789 -0.0850 0.2251 -0.0497 45 LEU A CD1 51 C CD2 . LEU A 17 ? 0.5372 0.3868 0.6232 -0.0911 0.2585 -0.0586 45 LEU A CD2 52 N N . ILE A 18 ? 0.5398 0.3870 0.4547 -0.1045 0.1492 -0.0541 46 ILE A N 53 C CA . ILE A 18 ? 0.5536 0.3880 0.4334 -0.1130 0.1302 -0.0525 46 ILE A CA 54 C C . ILE A 18 ? 0.5630 0.3883 0.4485 -0.1145 0.1425 -0.0561 46 ILE A C 55 O O . ILE A 18 ? 0.5299 0.3828 0.4583 -0.0989 0.1415 -0.0507 46 ILE A O 56 C CB . ILE A 18 ? 0.5174 0.3818 0.4118 -0.1006 0.1002 -0.0408 46 ILE A CB 57 C CG1 . ILE A 18 ? 0.5131 0.3824 0.3992 -0.1016 0.0904 -0.0385 46 ILE A CG1 58 C CG2 . ILE A 18 ? 0.5283 0.3814 0.3986 -0.1075 0.0807 -0.0360 46 ILE A CG2 59 C CD1 . ILE A 18 ? 0.4762 0.3763 0.3859 -0.0882 0.0687 -0.0288 46 ILE A CD1 60 N N . PHE A 19 ? 0.6110 0.3959 0.4512 -0.1350 0.1540 -0.0650 47 PHE A N 61 C CA . PHE A 19 ? 0.6281 0.3976 0.4685 -0.1398 0.1706 -0.0709 47 PHE A CA 62 C C . PHE A 19 ? 0.6390 0.3986 0.4473 -0.1476 0.1457 -0.0652 47 PHE A C 63 O O . PHE A 19 ? 0.6703 0.4053 0.4297 -0.1658 0.1297 -0.0631 47 PHE A O 64 C CB . PHE A 19 ? 0.7319 0.4568 0.5415 -0.1607 0.2061 -0.0866 47 PHE A CB 65 C CG . PHE A 19 ? 0.7998 0.5079 0.6155 -0.1656 0.2298 -0.0945 47 PHE A CG 66 C CD1 . PHE A 19 ? 0.8421 0.5773 0.7241 -0.1473 0.2476 -0.0930 47 PHE A CD1 67 C CD2 . PHE A 19 ? 1.0165 0.6806 0.7721 -0.1907 0.2339 -0.1024 47 PHE A CD2 68 C CE1 . PHE A 19 ? 0.9443 0.6649 0.8373 -0.1516 0.2709 -0.1002 47 PHE A CE1 69 C CE2 . PHE A 19 ? 1.1523 0.7990 0.9123 -0.1962 0.2577 -0.1109 47 PHE A CE2 70 C CZ . PHE A 19 ? 1.0955 0.7714 0.9265 -0.1755 0.2773 -0.1103 47 PHE A CZ 71 N N . SER A 20 ? 0.6379 0.4176 0.4767 -0.1345 0.1409 -0.0606 48 SER A N 72 C CA . SER A 20 ? 0.7609 0.5296 0.5751 -0.1413 0.1210 -0.0550 48 SER A CA 73 C C . SER A 20 ? 0.9265 0.6584 0.7121 -0.1590 0.1442 -0.0663 48 SER A C 74 O O . SER A 20 ? 0.8883 0.6277 0.7088 -0.1505 0.1699 -0.0732 48 SER A O 75 C CB . SER A 20 ? 0.6243 0.4340 0.4864 -0.1176 0.1036 -0.0441 48 SER A CB 76 O OG . SER A 20 ? 0.5846 0.3817 0.4304 -0.1232 0.0925 -0.0407 48 SER A OG 77 N N . HIS A 21 ? 0.7817 0.4726 0.5050 -0.1853 0.1349 -0.0672 49 HIS A N 78 C CA . HIS A 21 ? 0.9024 0.5526 0.5893 -0.2062 0.1564 -0.0785 49 HIS A CA 79 C C . HIS A 21 ? 0.8122 0.4784 0.5229 -0.1945 0.1461 -0.0723 49 HIS A C 80 O O . HIS A 21 ? 0.8122 0.4707 0.5364 -0.1942 0.1728 -0.0823 49 HIS A O 81 C CB . HIS A 21 ? 1.0577 0.6559 0.6639 -0.2427 0.1470 -0.0796 49 HIS A CB 82 C CG . HIS A 21 ? 1.2699 0.8335 0.8395 -0.2631 0.1750 -0.0940 49 HIS A CG 83 N ND1 . HIS A 21 ? 1.3542 0.8930 0.9234 -0.2705 0.2206 -0.1130 49 HIS A ND1 84 C CD2 . HIS A 21 ? 1.3373 0.8863 0.8725 -0.2779 0.1654 -0.0921 49 HIS A CD2 85 C CE1 . HIS A 21 ? 1.5023 1.0114 1.0368 -0.2888 0.2389 -0.1228 49 HIS A CE1 86 N NE2 . HIS A 21 ? 1.4840 0.9994 0.9956 -0.2937 0.2049 -0.1104 49 HIS A NE2 87 N N . GLY A 22 ? 0.8441 0.5325 0.5644 -0.1844 0.1091 -0.0558 50 GLY A N 88 C CA . GLY A 22 ? 0.7971 0.5049 0.5452 -0.1703 0.0968 -0.0482 50 GLY A CA 89 C C . GLY A 22 ? 0.8070 0.5539 0.6208 -0.1435 0.1150 -0.0517 50 GLY A C 90 O O . GLY A 22 ? 0.9502 0.6912 0.7743 -0.1435 0.1328 -0.0583 50 GLY A O 91 N N . LEU A 23 ? 0.8757 0.6612 0.7344 -0.1227 0.1111 -0.0468 51 LEU A N 92 C CA . LEU A 23 ? 0.7687 0.5925 0.6907 -0.1000 0.1233 -0.0462 51 LEU A CA 93 C C . LEU A 23 ? 0.7841 0.6019 0.7269 -0.1026 0.1595 -0.0577 51 LEU A C 94 O O . LEU A 23 ? 0.7598 0.6084 0.7603 -0.0865 0.1703 -0.0550 51 LEU A O 95 C CB . LEU A 23 ? 0.6618 0.5281 0.6217 -0.0793 0.1022 -0.0344 51 LEU A CB 96 C CG . LEU A 23 ? 0.6092 0.4823 0.5566 -0.0758 0.0693 -0.0225 51 LEU A CG 97 C CD1 . LEU A 23 ? 0.4748 0.3698 0.4368 -0.0671 0.0591 -0.0174 51 LEU A CD1 98 C CD2 . LEU A 23 ? 0.4573 0.3522 0.4335 -0.0612 0.0562 -0.0144 51 LEU A CD2 99 N N . GLN A 24 ? 0.6914 0.4699 0.5911 -0.1236 0.1782 -0.0690 52 GLN A N 100 C CA . GLN A 24 ? 0.7952 0.5598 0.7128 -0.1290 0.2175 -0.0810 52 GLN A CA 101 C C . GLN A 24 ? 0.7044 0.5108 0.6875 -0.1081 0.2206 -0.0736 52 GLN A C 102 O O . GLN A 24 ? 0.7719 0.6019 0.8145 -0.0956 0.2350 -0.0707 52 GLN A O 103 C CB . GLN A 24 ? 1.0264 0.7735 0.9547 -0.1349 0.2452 -0.0903 52 GLN A CB 104 C CG . GLN A 24 ? 1.1843 0.8988 1.1166 -0.1489 0.2924 -0.1062 52 GLN A CG 105 C CD . GLN A 24 ? 1.3106 0.9671 1.1616 -0.1800 0.3051 -0.1200 52 GLN A CD 106 O OE1 . GLN A 24 ? 1.3246 0.9597 1.1130 -0.1953 0.2796 -0.1177 52 GLN A OE1 107 N NE2 . GLN A 24 ? 1.4473 1.0770 1.3005 -0.1912 0.3444 -0.1331 52 GLN A NE2 108 N N . GLY A 25 ? 0.8318 0.6472 0.8044 -0.1059 0.2051 -0.0689 53 GLY A N 109 C CA . GLY A 25 ? 0.6833 0.5352 0.7106 -0.0892 0.2047 -0.0606 53 GLY A CA 110 C C . GLY A 25 ? 0.5822 0.4396 0.5877 -0.0890 0.1858 -0.0565 53 GLY A C 111 O O . GLY A 25 ? 0.5533 0.3890 0.5056 -0.1008 0.1711 -0.0588 53 GLY A O 112 N N . CYS A 26 ? 0.5141 0.4014 0.5640 -0.0765 0.1850 -0.0488 54 CYS A N 113 C CA . CYS A 26 ? 0.4833 0.3780 0.5201 -0.0753 0.1707 -0.0452 54 CYS A CA 114 C C . CYS A 26 ? 0.4402 0.3736 0.5006 -0.0604 0.1426 -0.0322 54 CYS A C 115 O O . CYS A 26 ? 0.4114 0.3722 0.5157 -0.0497 0.1400 -0.0239 54 CYS A O 116 C CB . CYS A 26 ? 0.4925 0.3846 0.5549 -0.0764 0.1935 -0.0472 54 CYS A CB 117 S SG . CYS A 26 ? 0.7026 0.5417 0.7286 -0.0973 0.2307 -0.0651 54 CYS A SG 118 N N . LEU A 27 ? 0.4393 0.3725 0.4697 -0.0618 0.1228 -0.0304 55 LEU A N 119 C CA . LEU A 27 ? 0.4056 0.3693 0.4525 -0.0507 0.1002 -0.0203 55 LEU A CA 120 C C . LEU A 27 ? 0.3856 0.3719 0.4691 -0.0446 0.1046 -0.0141 55 LEU A C 121 O O . LEU A 27 ? 0.3982 0.3744 0.4804 -0.0493 0.1171 -0.0174 55 LEU A O 122 C CB . LEU A 27 ? 0.4131 0.3677 0.4237 -0.0552 0.0822 -0.0203 55 LEU A CB 123 C CG . LEU A 27 ? 0.3861 0.3636 0.4071 -0.0461 0.0612 -0.0122 55 LEU A CG 124 C CD1 . LEU A 27 ? 0.3783 0.3593 0.4043 -0.0416 0.0523 -0.0088 55 LEU A CD1 125 C CD2 . LEU A 27 ? 0.3929 0.3624 0.3897 -0.0509 0.0486 -0.0117 55 LEU A CD2 126 N N . GLU A 28 ? 0.3568 0.3723 0.4720 -0.0359 0.0933 -0.0040 56 GLU A N 127 C CA . GLU A 28 ? 0.3404 0.3772 0.4893 -0.0334 0.0929 0.0053 56 GLU A CA 128 C C . GLU A 28 ? 0.3190 0.3792 0.4711 -0.0296 0.0718 0.0140 56 GLU A C 129 O O . GLU A 28 ? 0.3114 0.3764 0.4551 -0.0262 0.0611 0.0143 56 GLU A O 130 C CB . GLU A 28 ? 0.3342 0.3806 0.5330 -0.0321 0.1082 0.0118 56 GLU A CB 131 C CG . GLU A 28 ? 0.3674 0.4329 0.5934 -0.0269 0.1012 0.0191 56 GLU A CG 132 C CD . GLU A 28 ? 0.6075 0.6925 0.8957 -0.0262 0.1093 0.0325 56 GLU A CD 133 O OE1 . GLU A 28 ? 0.6908 0.7757 1.0034 -0.0293 0.1186 0.0377 56 GLU A OE1 134 O OE2 . GLU A 28 ? 0.7150 0.8161 1.0316 -0.0229 0.1053 0.0394 56 GLU A OE2 135 N N . ALA A 29 ? 0.3146 0.3871 0.4786 -0.0315 0.0672 0.0213 57 ALA A N 136 C CA . ALA A 29 ? 0.3019 0.3923 0.4645 -0.0324 0.0501 0.0291 57 ALA A CA 137 C C . ALA A 29 ? 0.2918 0.4025 0.4950 -0.0359 0.0472 0.0445 57 ALA A C 138 O O . ALA A 29 ? 0.4655 0.5753 0.6878 -0.0385 0.0544 0.0491 57 ALA A O 139 C CB . ALA A 29 ? 0.3090 0.3914 0.4403 -0.0353 0.0446 0.0240 57 ALA A CB 140 N N . GLN A 30 ? 0.2782 0.4060 0.4971 -0.0370 0.0366 0.0537 58 GLN A N 141 C CA . GLN A 30 ? 0.4875 0.6361 0.7499 -0.0428 0.0302 0.0721 58 GLN A CA 142 C C . GLN A 30 ? 0.5881 0.7508 0.8454 -0.0467 0.0144 0.0788 58 GLN A C 143 O O . GLN A 30 ? 0.6319 0.7889 0.8665 -0.0409 0.0142 0.0689 58 GLN A O 144 C CB . GLN A 30 ? 0.6929 0.8435 1.0019 -0.0386 0.0455 0.0761 58 GLN A CB 145 C CG . GLN A 30 ? 0.9207 1.0936 1.2874 -0.0450 0.0391 0.0985 58 GLN A CG 146 C CD . GLN A 30 ? 1.0633 1.2381 1.4498 -0.0521 0.0375 0.1103 58 GLN A CD 147 O OE1 . GLN A 30 ? 1.0705 1.2310 1.4660 -0.0486 0.0556 0.1040 58 GLN A OE1 148 N NE2 . GLN A 30 ? 1.1465 1.3367 1.5373 -0.0638 0.0160 0.1277 58 GLN A NE2 149 N N . GLY A 31 ? 0.6649 0.8446 0.9443 -0.0580 0.0008 0.0971 59 GLY A N 150 C CA . GLY A 31 ? 0.6363 0.8297 0.9162 -0.0652 -0.0138 0.1064 59 GLY A CA 151 C C . GLY A 31 ? 0.5928 0.7757 0.8232 -0.0651 -0.0172 0.0932 59 GLY A C 152 O O . GLY A 31 ? 0.5338 0.7233 0.7622 -0.0663 -0.0232 0.0952 59 GLY A O 153 N N . GLY A 32 ? 0.6425 0.8087 0.8368 -0.0636 -0.0119 0.0802 60 GLY A N 154 C CA . GLY A 32 ? 0.5245 0.6779 0.6798 -0.0624 -0.0109 0.0673 60 GLY A CA 155 C C . GLY A 32 ? 0.4803 0.6254 0.6328 -0.0479 -0.0029 0.0556 60 GLY A C 156 O O . GLY A 32 ? 0.6999 0.8374 0.8321 -0.0465 -0.0030 0.0487 60 GLY A O 157 N N . GLN A 33 ? 0.3718 0.5158 0.5442 -0.0387 0.0048 0.0535 61 GLN A N 158 C CA . GLN A 33 ? 0.3381 0.4710 0.5039 -0.0279 0.0108 0.0436 61 GLN A CA 159 C C . GLN A 33 ? 0.2829 0.3982 0.4370 -0.0245 0.0206 0.0344 61 GLN A C 160 O O . GLN A 33 ? 0.4360 0.5507 0.5988 -0.0277 0.0262 0.0362 61 GLN A O 161 C CB . GLN A 33 ? 0.5062 0.6505 0.7028 -0.0228 0.0121 0.0489 61 GLN A CB 162 C CG . GLN A 33 ? 0.6064 0.7603 0.8044 -0.0217 0.0036 0.0525 61 GLN A CG 163 C CD . GLN A 33 ? 0.5934 0.7695 0.8184 -0.0302 -0.0054 0.0677 61 GLN A CD 164 O OE1 . GLN A 33 ? 0.6230 0.8106 0.8827 -0.0321 -0.0036 0.0772 61 GLN A OE1 165 N NE2 . GLN A 33 ? 0.5951 0.7757 0.8057 -0.0373 -0.0145 0.0711 61 GLN A NE2 166 N N . VAL A 34 ? 0.2824 0.3823 0.4180 -0.0194 0.0221 0.0259 62 VAL A N 167 C CA . VAL A 34 ? 0.2980 0.3783 0.4197 -0.0190 0.0300 0.0182 62 VAL A CA 168 C C . VAL A 34 ? 0.3468 0.4217 0.4758 -0.0150 0.0342 0.0164 62 VAL A C 169 O O . VAL A 34 ? 0.2888 0.3665 0.4183 -0.0106 0.0270 0.0179 62 VAL A O 170 C CB . VAL A 34 ? 0.3152 0.3794 0.4079 -0.0205 0.0252 0.0125 62 VAL A CB 171 C CG1 . VAL A 34 ? 0.3235 0.3653 0.3970 -0.0239 0.0303 0.0063 62 VAL A CG1 172 C CG2 . VAL A 34 ? 0.3136 0.3830 0.4002 -0.0249 0.0232 0.0133 62 VAL A CG2 173 N N . ARG A 35 ? 0.3656 0.4316 0.5018 -0.0172 0.0475 0.0132 63 ARG A N 174 C CA . ARG A 35 ? 0.3030 0.3639 0.4487 -0.0150 0.0545 0.0113 63 ARG A CA 175 C C . ARG A 35 ? 0.3428 0.3805 0.4792 -0.0217 0.0730 0.0031 63 ARG A C 176 O O . ARG A 35 ? 0.3638 0.3957 0.4984 -0.0262 0.0815 0.0011 63 ARG A O 177 C CB . ARG A 35 ? 0.3378 0.4244 0.5261 -0.0104 0.0545 0.0206 63 ARG A CB 178 C CG . ARG A 35 ? 0.4798 0.5815 0.6981 -0.0135 0.0589 0.0285 63 ARG A CG 179 C CD . ARG A 35 ? 0.5931 0.7150 0.8611 -0.0117 0.0629 0.0388 63 ARG A CD 180 N NE . ARG A 35 ? 0.7384 0.8744 1.0412 -0.0166 0.0647 0.0502 63 ARG A NE 181 C CZ . ARG A 35 ? 0.7470 0.9067 1.0712 -0.0203 0.0492 0.0652 63 ARG A CZ 182 N NH1 . ARG A 35 ? 0.6306 0.8014 0.9429 -0.0194 0.0337 0.0683 63 ARG A NH1 183 N NH2 . ARG A 35 ? 0.8399 1.0102 1.1966 -0.0266 0.0490 0.0781 63 ARG A NH2 184 N N . VAL A 36 ? 0.3395 0.3617 0.4684 -0.0235 0.0804 -0.0021 64 VAL A N 185 C CA . VAL A 36 ? 0.3688 0.3639 0.4861 -0.0329 0.1025 -0.0117 64 VAL A CA 186 C C . VAL A 36 ? 0.3940 0.4017 0.5607 -0.0297 0.1213 -0.0091 64 VAL A C 187 O O . VAL A 36 ? 0.4881 0.5115 0.6812 -0.0232 0.1184 -0.0043 64 VAL A O 188 C CB . VAL A 36 ? 0.3952 0.3616 0.4727 -0.0408 0.1009 -0.0186 64 VAL A CB 189 C CG1 . VAL A 36 ? 0.4743 0.4082 0.5334 -0.0541 0.1262 -0.0299 64 VAL A CG1 190 C CG2 . VAL A 36 ? 0.4283 0.3827 0.4658 -0.0454 0.0806 -0.0173 64 VAL A CG2 191 N N . THR A 37 ? 0.3717 0.3723 0.5552 -0.0342 0.1411 -0.0114 65 THR A N 192 C CA . THR A 37 ? 0.3649 0.3752 0.6045 -0.0325 0.1621 -0.0073 65 THR A CA 193 C C . THR A 37 ? 0.4279 0.4020 0.6547 -0.0429 0.1935 -0.0216 65 THR A C 194 O O . THR A 37 ? 0.5707 0.5150 0.7591 -0.0533 0.2051 -0.0321 65 THR A O 195 C CB . THR A 37 ? 0.3500 0.3793 0.6309 -0.0306 0.1639 0.0036 65 THR A CB 196 O OG1 . THR A 37 ? 0.5150 0.5520 0.8592 -0.0301 0.1855 0.0099 65 THR A OG1 197 C CG2 . THR A 37 ? 0.3728 0.3797 0.6206 -0.0376 0.1715 -0.0043 65 THR A CG2 198 N N . PRO A 38 ? 0.4220 0.3953 0.6771 -0.0421 0.2087 -0.0231 66 PRO A N 199 C CA . PRO A 38 ? 0.4829 0.4164 0.7215 -0.0549 0.2426 -0.0388 66 PRO A CA 200 C C . PRO A 38 ? 0.6184 0.5383 0.8884 -0.0606 0.2747 -0.0421 66 PRO A C 201 O O . PRO A 38 ? 0.8599 0.7382 1.1008 -0.0750 0.3048 -0.0581 66 PRO A O 202 C CB . PRO A 38 ? 0.5061 0.4494 0.7798 -0.0503 0.2500 -0.0371 66 PRO A CB 203 C CG . PRO A 38 ? 0.4529 0.4454 0.7833 -0.0350 0.2267 -0.0177 66 PRO A CG 204 C CD . PRO A 38 ? 0.3672 0.3727 0.6627 -0.0313 0.1949 -0.0119 66 PRO A CD 205 N N . ALA A 39 ? 0.4441 0.3942 0.7697 -0.0520 0.2698 -0.0273 67 ALA A N 206 C CA . ALA A 39 ? 0.5129 0.4501 0.8757 -0.0567 0.3003 -0.0281 67 ALA A CA 207 C C . ALA A 39 ? 0.5882 0.5160 0.9094 -0.0602 0.2901 -0.0306 67 ALA A C 208 O O . ALA A 39 ? 0.4871 0.4436 0.8336 -0.0526 0.2700 -0.0159 67 ALA A O 209 C CB . ALA A 39 ? 0.5090 0.4811 0.9590 -0.0459 0.2967 -0.0075 67 ALA A CB 210 N N . CYS A 40 ? 0.6303 0.5154 0.8920 -0.0738 0.3079 -0.0487 68 CYS A N 211 C CA . CYS A 40 ? 0.5794 0.4533 0.7988 -0.0784 0.2990 -0.0521 68 CYS A CA 212 C C . CYS A 40 ? 0.7602 0.6311 1.0281 -0.0784 0.3246 -0.0486 68 CYS A C 213 O O . CYS A 40 ? 0.8780 0.7295 1.1828 -0.0836 0.3622 -0.0540 68 CYS A O 214 C CB . CYS A 40 ? 0.6204 0.4487 0.7564 -0.0961 0.3057 -0.0707 68 CYS A CB 215 S SG . CYS A 40 ? 0.8869 0.7186 0.9603 -0.0972 0.2658 -0.0700 68 CYS A SG 216 N N . ASN A 41 ? 0.6776 0.5686 0.9517 -0.0722 0.3048 -0.0382 69 ASN A N 217 C CA . ASN A 41 ? 0.7093 0.5998 1.0308 -0.0715 0.3242 -0.0319 69 ASN A CA 218 C C . ASN A 41 ? 0.6380 0.5230 0.9132 -0.0736 0.3089 -0.0346 69 ASN A C 219 O O . ASN A 41 ? 0.5485 0.4613 0.8105 -0.0664 0.2736 -0.0249 69 ASN A O 220 C CB . ASN A 41 ? 0.6908 0.6241 1.0970 -0.0597 0.3120 -0.0074 69 ASN A CB 221 C CG . ASN A 41 ? 0.8747 0.7977 1.3316 -0.0540 0.3270 -0.0012 69 ASN A CG 222 O OD1 . ASN A 41 ? 0.9333 0.8326 1.3725 -0.0583 0.3425 -0.0094 69 ASN A OD1 223 N ND2 . ASN A 41 ? 0.9158 0.8546 1.4331 -0.0433 0.3194 0.0139 69 ASN A ND2 224 N N . THR A 42 ? 0.7246 0.5736 0.9778 -0.0841 0.3370 -0.0476 70 THR A N 225 C CA . THR A 42 ? 0.7200 0.5627 0.9271 -0.0870 0.3227 -0.0507 70 THR A CA 226 C C . THR A 42 ? 0.6557 0.5313 0.9115 -0.0754 0.3068 -0.0323 70 THR A C 227 O O . THR A 42 ? 0.6880 0.5678 0.9105 -0.0750 0.2878 -0.0320 70 THR A O 228 C CB . THR A 42 ? 0.8497 0.6437 1.0188 -0.1030 0.3572 -0.0691 70 THR A CB 229 O OG1 . THR A 42 ? 0.9953 0.7826 1.2296 -0.1011 0.3915 -0.0653 70 THR A OG1 230 C CG2 . THR A 42 ? 0.8848 0.6399 1.0010 -0.1194 0.3752 -0.0872 70 THR A CG2 231 N N . SER A 43 ? 0.7155 0.6130 1.0507 -0.0679 0.3142 -0.0160 71 SER A N 232 C CA . SER A 43 ? 0.6664 0.5917 1.0534 -0.0604 0.3005 0.0045 71 SER A CA 233 C C . SER A 43 ? 0.5258 0.4942 0.9317 -0.0526 0.2610 0.0239 71 SER A C 234 O O . SER A 43 ? 0.4705 0.4620 0.9178 -0.0494 0.2462 0.0433 71 SER A O 235 C CB . SER A 43 ? 0.9277 0.8443 1.3833 -0.0553 0.3235 0.0122 71 SER A CB 236 O OG . SER A 43 ? 1.0494 0.9675 1.5349 -0.0502 0.3273 0.0137 71 SER A OG 237 N N . LEU A 44 ? 0.6484 0.6263 1.0255 -0.0512 0.2439 0.0201 72 LEU A N 238 C CA . LEU A 44 ? 0.5648 0.5799 0.9581 -0.0459 0.2098 0.0374 72 LEU A CA 239 C C . LEU A 44 ? 0.4387 0.4595 0.7703 -0.0454 0.1815 0.0327 72 LEU A C 240 O O . LEU A 44 ? 0.3833 0.3874 0.6577 -0.0472 0.1797 0.0165 72 LEU A O 241 C CB . LEU A 44 ? 0.5501 0.5741 0.9546 -0.0439 0.2081 0.0374 72 LEU A CB 242 C CG . LEU A 44 ? 0.7047 0.7360 1.1897 -0.0434 0.2287 0.0500 72 LEU A CG 243 C CD1 . LEU A 44 ? 0.5824 0.6209 1.0747 -0.0413 0.2283 0.0479 72 LEU A CD1 244 C CD2 . LEU A 44 ? 0.7685 0.8297 1.3129 -0.0420 0.2090 0.0773 72 LEU A CD2 245 N N . PRO A 45 ? 0.5629 0.6052 0.9053 -0.0446 0.1595 0.0472 73 PRO A N 246 C CA . PRO A 45 ? 0.4215 0.4660 0.7075 -0.0449 0.1374 0.0411 73 PRO A CA 247 C C . PRO A 45 ? 0.3441 0.3941 0.5933 -0.0434 0.1211 0.0347 73 PRO A C 248 O O . PRO A 45 ? 0.3507 0.3910 0.5501 -0.0440 0.1130 0.0234 73 PRO A O 249 C CB . PRO A 45 ? 0.3688 0.4361 0.6821 -0.0466 0.1183 0.0606 73 PRO A CB 250 C CG . PRO A 45 ? 0.5054 0.5725 0.8835 -0.0473 0.1362 0.0737 73 PRO A CG 251 C CD . PRO A 45 ? 0.5608 0.6218 0.9671 -0.0456 0.1560 0.0700 73 PRO A CD 252 N N . ALA A 46 ? 0.3319 0.3964 0.6082 -0.0416 0.1171 0.0422 74 ALA A N 253 C CA . ALA A 46 ? 0.3255 0.3949 0.5717 -0.0395 0.1029 0.0370 74 ALA A CA 254 C C . ALA A 46 ? 0.3440 0.3876 0.5482 -0.0396 0.1136 0.0188 74 ALA A C 255 O O . ALA A 46 ? 0.3416 0.3850 0.5141 -0.0383 0.1003 0.0139 74 ALA A O 256 C CB . ALA A 46 ? 0.3098 0.3992 0.5982 -0.0380 0.0988 0.0492 74 ALA A CB 257 N N . GLN A 47 ? 0.3652 0.3853 0.5705 -0.0430 0.1378 0.0100 75 GLN A N 258 C CA . GLN A 47 ? 0.3913 0.3816 0.5523 -0.0483 0.1484 -0.0062 75 GLN A CA 259 C C . GLN A 47 ? 0.4126 0.3810 0.5297 -0.0549 0.1501 -0.0158 75 GLN A C 260 O O . GLN A 47 ? 0.4401 0.3805 0.5161 -0.0634 0.1572 -0.0276 75 GLN A O 261 C CB . GLN A 47 ? 0.4095 0.3816 0.5929 -0.0519 0.1776 -0.0119 75 GLN A CB 262 C CG . GLN A 47 ? 0.3885 0.3823 0.6171 -0.0458 0.1759 -0.0024 75 GLN A CG 263 C CD . GLN A 47 ? 0.4500 0.4256 0.7048 -0.0495 0.2070 -0.0087 75 GLN A CD 264 O OE1 . GLN A 47 ? 0.4751 0.4152 0.6960 -0.0589 0.2288 -0.0243 75 GLN A OE1 265 N NE2 . GLN A 47 ? 0.4064 0.4054 0.7211 -0.0438 0.2087 0.0039 75 GLN A NE2 266 N N . ARG A 48 ? 0.4029 0.3822 0.5264 -0.0530 0.1428 -0.0101 76 ARG A N 267 C CA . ARG A 48 ? 0.4222 0.3820 0.5127 -0.0590 0.1472 -0.0181 76 ARG A CA 268 C C . ARG A 48 ? 0.4128 0.3811 0.4709 -0.0583 0.1224 -0.0177 76 ARG A C 269 O O . ARG A 48 ? 0.3890 0.3819 0.4625 -0.0524 0.1061 -0.0086 76 ARG A O 270 C CB . ARG A 48 ? 0.4201 0.3834 0.5454 -0.0576 0.1602 -0.0123 76 ARG A CB 271 C CG . ARG A 48 ? 0.4729 0.4184 0.6296 -0.0607 0.1920 -0.0154 76 ARG A CG 272 C CD . ARG A 48 ? 0.5799 0.5341 0.7896 -0.0574 0.2035 -0.0042 76 ARG A CD 273 N NE . ARG A 48 ? 0.6123 0.5526 0.7991 -0.0607 0.2077 -0.0094 76 ARG A NE 274 C CZ . ARG A 48 ? 0.6253 0.5310 0.7853 -0.0694 0.2326 -0.0239 76 ARG A CZ 275 N NH1 . ARG A 48 ? 0.6919 0.5712 0.8417 -0.0770 0.2565 -0.0355 76 ARG A NH1 276 N NH2 . ARG A 48 ? 0.5324 0.4280 0.6733 -0.0720 0.2344 -0.0273 76 ARG A NH2 277 N N . TRP A 49 ? 0.4347 0.3806 0.4485 -0.0664 0.1202 -0.0268 77 TRP A N 278 C CA . TRP A 49 ? 0.4277 0.3792 0.4165 -0.0668 0.0981 -0.0256 77 TRP A CA 279 C C . TRP A 49 ? 0.4445 0.3808 0.4058 -0.0744 0.0981 -0.0303 77 TRP A C 280 O O . TRP A 49 ? 0.4698 0.3835 0.4178 -0.0825 0.1154 -0.0371 77 TRP A O 281 C CB . TRP A 49 ? 0.4358 0.3776 0.4026 -0.0706 0.0884 -0.0274 77 TRP A CB 282 C CG . TRP A 49 ? 0.4194 0.3758 0.4116 -0.0630 0.0878 -0.0232 77 TRP A CG 283 C CD1 . TRP A 49 ? 0.4281 0.3766 0.4329 -0.0639 0.1040 -0.0259 77 TRP A CD1 284 C CD2 . TRP A 49 ? 0.3933 0.3733 0.4017 -0.0545 0.0718 -0.0160 77 TRP A CD2 285 N NE1 . TRP A 49 ? 0.4062 0.3747 0.4355 -0.0556 0.0964 -0.0196 77 TRP A NE1 286 C CE2 . TRP A 49 ? 0.3859 0.3729 0.4157 -0.0502 0.0768 -0.0137 77 TRP A CE2 287 C CE3 . TRP A 49 ? 0.3781 0.3717 0.3851 -0.0511 0.0560 -0.0119 77 TRP A CE3 288 C CZ2 . TRP A 49 ? 0.3639 0.3716 0.4110 -0.0429 0.0650 -0.0071 77 TRP A CZ2 289 C CZ3 . TRP A 49 ? 0.3591 0.3704 0.3823 -0.0447 0.0470 -0.0065 77 TRP A CZ3 290 C CH2 . TRP A 49 ? 0.3523 0.3706 0.3939 -0.0408 0.0507 -0.0040 77 TRP A CH2 291 N N . LYS A 50 ? 0.4318 0.3795 0.3854 -0.0726 0.0800 -0.0269 78 LYS A N 292 C CA . LYS A 50 ? 0.4442 0.3811 0.3747 -0.0797 0.0762 -0.0296 78 LYS A CA 293 C C . LYS A 50 ? 0.4375 0.3794 0.3574 -0.0814 0.0555 -0.0257 78 LYS A C 294 O O . LYS A 50 ? 0.4148 0.3762 0.3537 -0.0730 0.0463 -0.0209 78 LYS A O 295 C CB . LYS A 50 ? 0.4305 0.3813 0.3800 -0.0736 0.0803 -0.0273 78 LYS A CB 296 C CG . LYS A 50 ? 0.4412 0.3828 0.3693 -0.0799 0.0765 -0.0300 78 LYS A CG 297 C CD . LYS A 50 ? 0.4325 0.3830 0.3781 -0.0749 0.0838 -0.0285 78 LYS A CD 298 C CE . LYS A 50 ? 0.4441 0.3846 0.3666 -0.0817 0.0800 -0.0317 78 LYS A CE 299 N NZ . LYS A 50 ? 0.4337 0.3841 0.3745 -0.0757 0.0855 -0.0294 78 LYS A NZ 300 N N . TRP A 51 ? 0.4595 0.3823 0.3510 -0.0937 0.0490 -0.0269 79 TRP A N 301 C CA . TRP A 51 ? 0.4523 0.3808 0.3436 -0.0960 0.0298 -0.0207 79 TRP A CA 302 C C . TRP A 51 ? 0.4345 0.3797 0.3398 -0.0899 0.0280 -0.0200 79 TRP A C 303 O O . TRP A 51 ? 0.4429 0.3825 0.3393 -0.0926 0.0360 -0.0237 79 TRP A O 304 C CB . TRP A 51 ? 0.4837 0.3865 0.3429 -0.1142 0.0202 -0.0187 79 TRP A CB 305 C CG . TRP A 51 ? 0.5021 0.3882 0.3464 -0.1228 0.0152 -0.0162 79 TRP A CG 306 C CD1 . TRP A 51 ? 0.5383 0.3953 0.3483 -0.1377 0.0239 -0.0214 79 TRP A CD1 307 C CD2 . TRP A 51 ? 0.4880 0.3832 0.3502 -0.1179 0.0017 -0.0082 79 TRP A CD2 308 N NE1 . TRP A 51 ? 0.5468 0.3953 0.3511 -0.1426 0.0144 -0.0165 79 TRP A NE1 309 C CE2 . TRP A 51 ? 0.5148 0.3873 0.3529 -0.1297 0.0003 -0.0077 79 TRP A CE2 310 C CE3 . TRP A 51 ? 0.4580 0.3759 0.3539 -0.1058 -0.0073 -0.0019 79 TRP A CE3 311 C CZ2 . TRP A 51 ? 0.5091 0.3834 0.3586 -0.1280 -0.0123 0.0003 79 TRP A CZ2 312 C CZ3 . TRP A 51 ? 0.4535 0.3718 0.3617 -0.1042 -0.0172 0.0052 79 TRP A CZ3 313 C CH2 . TRP A 51 ? 0.4775 0.3751 0.3637 -0.1146 -0.0210 0.0071 79 TRP A CH2 314 N N . VAL A 52 ? 0.4123 0.3758 0.3388 -0.0826 0.0192 -0.0156 80 VAL A N 315 C CA . VAL A 52 ? 0.3970 0.3753 0.3361 -0.0780 0.0183 -0.0154 80 VAL A CA 316 C C . VAL A 52 ? 0.3929 0.3732 0.3412 -0.0815 0.0058 -0.0103 80 VAL A C 317 O O . VAL A 52 ? 0.4049 0.3733 0.3483 -0.0896 -0.0041 -0.0051 80 VAL A O 318 C CB . VAL A 52 ? 0.3779 0.3749 0.3354 -0.0679 0.0243 -0.0157 80 VAL A CB 319 C CG1 . VAL A 52 ? 0.3815 0.3775 0.3396 -0.0656 0.0359 -0.0174 80 VAL A CG1 320 C CG2 . VAL A 52 ? 0.3687 0.3723 0.3382 -0.0640 0.0213 -0.0133 80 VAL A CG2 321 N N . SER A 53 ? 0.4610 0.4547 0.4245 -0.0772 0.0061 -0.0105 81 SER A N 322 C CA . SER A 53 ? 0.4467 0.4410 0.4251 -0.0816 -0.0030 -0.0053 81 SER A CA 323 C C . SER A 53 ? 0.4062 0.4023 0.4058 -0.0793 -0.0056 -0.0010 81 SER A C 324 O O . SER A 53 ? 0.4586 0.4595 0.4606 -0.0729 0.0009 -0.0039 81 SER A O 325 C CB . SER A 53 ? 0.3648 0.3708 0.3540 -0.0787 0.0007 -0.0079 81 SER A CB 326 O OG . SER A 53 ? 0.3685 0.3853 0.3665 -0.0719 0.0096 -0.0119 81 SER A OG 327 N N . ARG A 54 ? 0.3934 0.3850 0.4113 -0.0855 -0.0156 0.0075 82 ARG A N 328 C CA . ARG A 54 ? 0.3839 0.3757 0.4312 -0.0839 -0.0173 0.0137 82 ARG A CA 329 C C . ARG A 54 ? 0.3961 0.3799 0.4343 -0.0835 -0.0212 0.0163 82 ARG A C 330 O O . ARG A 54 ? 0.4004 0.3870 0.4557 -0.0776 -0.0165 0.0167 82 ARG A O 331 C CB . ARG A 54 ? 0.3638 0.3664 0.4299 -0.0763 -0.0025 0.0070 82 ARG A CB 332 C CG . ARG A 54 ? 0.3823 0.3913 0.4603 -0.0779 0.0020 0.0046 82 ARG A CG 333 C CD . ARG A 54 ? 0.4608 0.4733 0.5632 -0.0754 0.0175 -0.0001 82 ARG A CD 334 N NE . ARG A 54 ? 0.6714 0.6871 0.7530 -0.0716 0.0294 -0.0099 82 ARG A NE 335 C CZ . ARG A 54 ? 0.8485 0.8696 0.9138 -0.0724 0.0370 -0.0173 82 ARG A CZ 336 N NH1 . ARG A 54 ? 0.8543 0.8791 0.9220 -0.0743 0.0357 -0.0179 82 ARG A NH1 337 N NH2 . ARG A 54 ? 0.8712 0.8937 0.9178 -0.0725 0.0444 -0.0227 82 ARG A NH2 338 N N . ASN A 55 ? 0.3896 0.3612 0.3993 -0.0912 -0.0287 0.0177 83 ASN A N 339 C CA . ASN A 55 ? 0.4015 0.3614 0.3991 -0.0943 -0.0343 0.0212 83 ASN A CA 340 C C . ASN A 55 ? 0.3907 0.3587 0.3847 -0.0828 -0.0216 0.0128 83 ASN A C 341 O O . ASN A 55 ? 0.4028 0.3682 0.4030 -0.0804 -0.0239 0.0160 83 ASN A O 342 C CB . ASN A 55 ? 0.4301 0.3845 0.4554 -0.0990 -0.0478 0.0352 83 ASN A CB 343 C CG . ASN A 55 ? 0.7225 0.6668 0.7525 -0.1146 -0.0652 0.0483 83 ASN A CG 344 O OD1 . ASN A 55 ? 0.8946 0.8428 0.9645 -0.1161 -0.0722 0.0597 83 ASN A OD1 345 N ND2 . ASN A 55 ? 0.7378 0.6680 0.7292 -0.1276 -0.0714 0.0474 83 ASN A ND2 346 N N . ARG A 56 ? 0.4479 0.4263 0.4349 -0.0764 -0.0096 0.0038 84 ARG A N 347 C CA . ARG A 56 ? 0.3717 0.3602 0.3615 -0.0673 0.0001 -0.0012 84 ARG A CA 348 C C . ARG A 56 ? 0.3882 0.3707 0.3581 -0.0684 0.0061 -0.0054 84 ARG A C 349 O O . ARG A 56 ? 0.4113 0.3838 0.3636 -0.0749 0.0078 -0.0077 84 ARG A O 350 C CB . ARG A 56 ? 0.3581 0.3616 0.3581 -0.0620 0.0081 -0.0052 84 ARG A CB 351 C CG . ARG A 56 ? 0.3511 0.3575 0.3731 -0.0609 0.0086 -0.0032 84 ARG A CG 352 C CD . ARG A 56 ? 0.3454 0.3609 0.3707 -0.0600 0.0179 -0.0083 84 ARG A CD 353 N NE . ARG A 56 ? 0.4531 0.4697 0.4733 -0.0630 0.0170 -0.0097 84 ARG A NE 354 C CZ . ARG A 56 ? 0.4168 0.4403 0.4326 -0.0637 0.0233 -0.0140 84 ARG A CZ 355 N NH1 . ARG A 56 ? 0.3444 0.3727 0.3570 -0.0641 0.0303 -0.0169 84 ARG A NH1 356 N NH2 . ARG A 56 ? 0.5282 0.5526 0.5406 -0.0657 0.0216 -0.0148 84 ARG A NH2 357 N N . LEU A 57 ? 0.3765 0.3633 0.3510 -0.0631 0.0106 -0.0062 85 LEU A N 358 C CA . LEU A 57 ? 0.3855 0.3664 0.3496 -0.0638 0.0194 -0.0097 85 LEU A CA 359 C C . LEU A 57 ? 0.3702 0.3689 0.3507 -0.0562 0.0279 -0.0105 85 LEU A C 360 O O . LEU A 57 ? 0.3574 0.3683 0.3522 -0.0510 0.0265 -0.0078 85 LEU A O 361 C CB . LEU A 57 ? 0.3939 0.3644 0.3534 -0.0656 0.0166 -0.0081 85 LEU A CB 362 C CG . LEU A 57 ? 0.4097 0.3679 0.3567 -0.0692 0.0283 -0.0129 85 LEU A CG 363 C CD1 . LEU A 57 ? 0.4342 0.3727 0.3558 -0.0805 0.0337 -0.0174 85 LEU A CD1 364 C CD2 . LEU A 57 ? 0.4190 0.3661 0.3597 -0.0720 0.0240 -0.0110 85 LEU A CD2 365 N N . PHE A 58 ? 0.3735 0.3725 0.3528 -0.0572 0.0358 -0.0125 86 PHE A N 366 C CA . PHE A 58 ? 0.3612 0.3764 0.3590 -0.0528 0.0406 -0.0094 86 PHE A CA 367 C C . PHE A 58 ? 0.3633 0.3782 0.3757 -0.0512 0.0511 -0.0080 86 PHE A C 368 O O . PHE A 58 ? 0.3794 0.3776 0.3835 -0.0548 0.0616 -0.0126 86 PHE A O 369 C CB . PHE A 58 ? 0.3626 0.3788 0.3575 -0.0546 0.0425 -0.0101 86 PHE A CB 370 C CG . PHE A 58 ? 0.3521 0.3841 0.3659 -0.0526 0.0435 -0.0038 86 PHE A CG 371 C CD1 . PHE A 58 ? 0.3435 0.3878 0.3587 -0.0536 0.0356 -0.0006 86 PHE A CD1 372 C CD2 . PHE A 58 ? 0.3545 0.3866 0.3853 -0.0520 0.0529 -0.0002 86 PHE A CD2 373 C CE1 . PHE A 58 ? 0.3392 0.3956 0.3675 -0.0559 0.0334 0.0074 86 PHE A CE1 374 C CE2 . PHE A 58 ? 0.3463 0.3926 0.3985 -0.0522 0.0505 0.0094 86 PHE A CE2 375 C CZ . PHE A 58 ? 0.3395 0.3979 0.3879 -0.0551 0.0389 0.0138 86 PHE A CZ 376 N N . ASN A 59 ? 0.3496 0.3815 0.3848 -0.0477 0.0494 -0.0012 87 ASN A N 377 C CA . ASN A 59 ? 0.3482 0.3838 0.4085 -0.0461 0.0589 0.0030 87 ASN A CA 378 C C . ASN A 59 ? 0.3429 0.3895 0.4284 -0.0468 0.0617 0.0116 87 ASN A C 379 O O . ASN A 59 ? 0.3342 0.3950 0.4237 -0.0486 0.0508 0.0187 87 ASN A O 380 C CB . ASN A 59 ? 0.3372 0.3844 0.4104 -0.0431 0.0531 0.0075 87 ASN A CB 381 C CG . ASN A 59 ? 0.3340 0.3869 0.4402 -0.0416 0.0629 0.0132 87 ASN A CG 382 O OD1 . ASN A 59 ? 0.3231 0.3936 0.4588 -0.0422 0.0590 0.0248 87 ASN A OD1 383 N ND2 . ASN A 59 ? 0.3459 0.3827 0.4482 -0.0415 0.0752 0.0063 87 ASN A ND2 384 N N . LEU A 60 ? 0.3513 0.3891 0.4540 -0.0471 0.0771 0.0116 88 LEU A N 385 C CA . LEU A 60 ? 0.3478 0.3935 0.4778 -0.0479 0.0798 0.0212 88 LEU A CA 386 C C . LEU A 60 ? 0.3366 0.4039 0.5061 -0.0488 0.0717 0.0379 88 LEU A C 387 O O . LEU A 60 ? 0.3522 0.4315 0.5347 -0.0525 0.0614 0.0496 88 LEU A O 388 C CB . LEU A 60 ? 0.3724 0.3994 0.5134 -0.0486 0.1021 0.0163 88 LEU A CB 389 C CG . LEU A 60 ? 0.3770 0.3883 0.4844 -0.0510 0.1045 0.0066 88 LEU A CG 390 C CD1 . LEU A 60 ? 0.3877 0.3843 0.4501 -0.0541 0.0998 -0.0058 88 LEU A CD1 391 C CD2 . LEU A 60 ? 0.4255 0.4189 0.5461 -0.0530 0.1269 0.0036 88 LEU A CD2 392 N N . GLY A 61 ? 0.3289 0.4012 0.5167 -0.0471 0.0741 0.0405 89 GLY A N 393 C CA . GLY A 61 ? 0.3289 0.4220 0.5580 -0.0500 0.0652 0.0586 89 GLY A CA 394 C C . GLY A 61 ? 0.3102 0.4178 0.5212 -0.0551 0.0436 0.0647 89 GLY A C 395 O O . GLY A 61 ? 0.3328 0.4554 0.5661 -0.0629 0.0308 0.0818 89 GLY A O 396 N N . THR A 62 ? 0.3210 0.4223 0.4929 -0.0529 0.0396 0.0520 90 THR A N 397 C CA . THR A 62 ? 0.3121 0.4212 0.4618 -0.0588 0.0243 0.0542 90 THR A CA 398 C C . THR A 62 ? 0.3180 0.4220 0.4394 -0.0636 0.0193 0.0503 90 THR A C 399 O O . THR A 62 ? 0.3224 0.4314 0.4293 -0.0727 0.0085 0.0549 90 THR A O 400 C CB . THR A 62 ? 0.3086 0.4124 0.4388 -0.0534 0.0253 0.0434 90 THR A CB 401 O OG1 . THR A 62 ? 0.3961 0.5108 0.5245 -0.0590 0.0142 0.0498 90 THR A OG1 402 C CG2 . THR A 62 ? 0.3151 0.4037 0.4111 -0.0504 0.0279 0.0293 90 THR A CG2 403 N N . MET A 63 ? 0.3221 0.4145 0.4339 -0.0593 0.0278 0.0419 91 MET A N 404 C CA . MET A 63 ? 0.3276 0.4146 0.4129 -0.0622 0.0245 0.0362 91 MET A CA 405 C C . MET A 63 ? 0.3299 0.4124 0.3864 -0.0633 0.0208 0.0268 91 MET A C 406 O O . MET A 63 ? 0.3355 0.4172 0.3745 -0.0696 0.0166 0.0253 91 MET A O 407 C CB . MET A 63 ? 0.3305 0.4261 0.4247 -0.0712 0.0158 0.0490 91 MET A CB 408 C CG . MET A 63 ? 0.3299 0.4237 0.4490 -0.0680 0.0230 0.0545 91 MET A CG 409 S SD . MET A 63 ? 0.5901 0.6980 0.7469 -0.0783 0.0114 0.0794 91 MET A SD 410 C CE . MET A 63 ? 0.3405 0.4474 0.4615 -0.0896 -0.0020 0.0800 91 MET A CE 411 N N . GLN A 64 ? 0.3273 0.4047 0.3804 -0.0575 0.0240 0.0202 92 GLN A N 412 C CA . GLN A 64 ? 0.3291 0.4012 0.3640 -0.0578 0.0222 0.0130 92 GLN A CA 413 C C . GLN A 64 ? 0.3297 0.3896 0.3587 -0.0512 0.0260 0.0052 92 GLN A C 414 O O . GLN A 64 ? 0.3323 0.3860 0.3647 -0.0485 0.0308 0.0039 92 GLN A O 415 C CB . GLN A 64 ? 0.3275 0.4072 0.3661 -0.0613 0.0179 0.0177 92 GLN A CB 416 C CG . GLN A 64 ? 0.3347 0.4223 0.3696 -0.0737 0.0113 0.0263 92 GLN A CG 417 C CD . GLN A 64 ? 0.3372 0.4297 0.3712 -0.0796 0.0070 0.0306 92 GLN A CD 418 O OE1 . GLN A 64 ? 0.3279 0.4249 0.3767 -0.0728 0.0072 0.0319 92 GLN A OE1 419 N NE2 . GLN A 64 ? 0.3524 0.4419 0.3662 -0.0937 0.0040 0.0320 92 GLN A NE2 420 N N . CYS A 65 ? 0.3308 0.3847 0.3513 -0.0508 0.0245 0.0006 93 CYS A N 421 C CA . CYS A 65 ? 0.3340 0.3754 0.3498 -0.0478 0.0239 -0.0033 93 CYS A CA 422 C C . CYS A 65 ? 0.3309 0.3708 0.3530 -0.0444 0.0217 -0.0021 93 CYS A C 423 O O . CYS A 65 ? 0.3267 0.3731 0.3541 -0.0444 0.0217 -0.0007 93 CYS A O 424 C CB . CYS A 65 ? 0.3372 0.3724 0.3477 -0.0504 0.0228 -0.0064 93 CYS A CB 425 S SG . CYS A 65 ? 0.3408 0.3759 0.3431 -0.0537 0.0243 -0.0083 93 CYS A SG 426 N N . LEU A 66 ? 0.3360 0.3653 0.3548 -0.0430 0.0201 -0.0025 94 LEU A N 427 C CA . LEU A 66 ? 0.3340 0.3602 0.3587 -0.0398 0.0166 -0.0004 94 LEU A CA 428 C C . LEU A 66 ? 0.3332 0.3546 0.3641 -0.0398 0.0127 0.0009 94 LEU A C 429 O O . LEU A 66 ? 0.3385 0.3525 0.3677 -0.0434 0.0104 0.0009 94 LEU A O 430 C CB . LEU A 66 ? 0.3456 0.3576 0.3602 -0.0419 0.0154 -0.0008 94 LEU A CB 431 C CG . LEU A 66 ? 0.3469 0.3526 0.3645 -0.0399 0.0104 0.0021 94 LEU A CG 432 C CD1 . LEU A 66 ? 0.3369 0.3546 0.3671 -0.0342 0.0156 0.0024 94 LEU A CD1 433 C CD2 . LEU A 66 ? 0.3679 0.3517 0.3658 -0.0481 0.0061 0.0023 94 LEU A CD2 434 N N . GLY A 67 ? 0.3267 0.3523 0.3690 -0.0361 0.0131 0.0026 95 GLY A N 435 C CA . GLY A 67 ? 0.3269 0.3460 0.3823 -0.0356 0.0129 0.0044 95 GLY A CA 436 C C . GLY A 67 ? 0.3217 0.3415 0.3901 -0.0307 0.0129 0.0071 95 GLY A C 437 O O . GLY A 67 ? 0.3163 0.3441 0.3829 -0.0275 0.0122 0.0075 95 GLY A O 438 N N . THR A 68 ? 0.3233 0.3342 0.4095 -0.0302 0.0141 0.0100 96 THR A N 439 C CA . THR A 68 ? 0.3199 0.3294 0.4225 -0.0260 0.0181 0.0118 96 THR A CA 440 C C . THR A 68 ? 0.3257 0.3297 0.4387 -0.0297 0.0325 0.0074 96 THR A C 441 O O . THR A 68 ? 0.3311 0.3308 0.4455 -0.0344 0.0369 0.0052 96 THR A O 442 C CB . THR A 68 ? 0.3195 0.3189 0.4408 -0.0225 0.0079 0.0213 96 THR A CB 443 O OG1 . THR A 68 ? 0.3246 0.3128 0.4684 -0.0257 0.0073 0.0270 96 THR A OG1 444 C CG2 . THR A 68 ? 0.3222 0.3202 0.4266 -0.0234 -0.0049 0.0245 96 THR A CG2 445 N N . GLY A 69 ? 0.3269 0.3296 0.4461 -0.0286 0.0416 0.0055 97 GLY A N 446 C CA . GLY A 69 ? 0.3389 0.3324 0.4615 -0.0349 0.0599 -0.0012 97 GLY A CA 447 C C . GLY A 69 ? 0.3419 0.3202 0.5012 -0.0320 0.0692 0.0026 97 GLY A C 448 O O . GLY A 69 ? 0.3338 0.3095 0.5176 -0.0252 0.0582 0.0128 97 GLY A O 449 N N . TRP A 70 ? 0.3570 0.3229 0.5202 -0.0391 0.0910 -0.0052 98 TRP A N 450 C CA . TRP A 70 ? 0.3637 0.3124 0.5657 -0.0377 0.1074 -0.0034 98 TRP A CA 451 C C . TRP A 70 ? 0.3788 0.3185 0.5668 -0.0431 0.1264 -0.0123 98 TRP A C 452 O O . TRP A 70 ? 0.4007 0.3236 0.5852 -0.0537 0.1514 -0.0224 98 TRP A O 453 C CB . TRP A 70 ? 0.3733 0.3098 0.5987 -0.0435 0.1225 -0.0057 98 TRP A CB 454 C CG . TRP A 70 ? 0.3619 0.3059 0.6004 -0.0412 0.1048 0.0033 98 TRP A CG 455 C CD1 . TRP A 70 ? 0.3622 0.3141 0.5758 -0.0461 0.0996 -0.0013 98 TRP A CD1 456 C CD2 . TRP A 70 ? 0.3517 0.2940 0.6310 -0.0357 0.0892 0.0196 98 TRP A CD2 457 N NE1 . TRP A 70 ? 0.3530 0.3082 0.5877 -0.0439 0.0828 0.0100 98 TRP A NE1 458 C CE2 . TRP A 70 ? 0.3479 0.2968 0.6216 -0.0389 0.0751 0.0236 98 TRP A CE2 459 C CE3 . TRP A 70 ? 0.3473 0.2821 0.6679 -0.0299 0.0846 0.0328 98 TRP A CE3 460 C CZ2 . TRP A 70 ? 0.3425 0.2901 0.6460 -0.0388 0.0555 0.0405 98 TRP A CZ2 461 C CZ3 . TRP A 70 ? 0.3412 0.2750 0.6943 -0.0295 0.0639 0.0510 98 TRP A CZ3 462 C CH2 . TRP A 70 ? 0.3402 0.2799 0.6826 -0.0351 0.0492 0.0547 98 TRP A CH2 463 N N . PRO A 71 ? 0.3707 0.3192 0.5487 -0.0379 0.1164 -0.0093 99 PRO A N 464 C CA . PRO A 71 ? 0.3870 0.3267 0.5490 -0.0449 0.1329 -0.0169 99 PRO A CA 465 C C . PRO A 71 ? 0.3986 0.3155 0.5980 -0.0438 0.1564 -0.0179 99 PRO A C 466 O O . PRO A 71 ? 0.3866 0.2994 0.6327 -0.0334 0.1532 -0.0077 99 PRO A O 467 C CB . PRO A 71 ? 0.3691 0.3272 0.5224 -0.0365 0.1124 -0.0100 99 PRO A CB 468 C CG . PRO A 71 ? 0.3476 0.3130 0.5294 -0.0230 0.0937 0.0016 99 PRO A CG 469 C CD . PRO A 71 ? 0.3490 0.3148 0.5270 -0.0271 0.0907 0.0006 99 PRO A CD 470 N N . GLY A 72 ? 0.4248 0.3254 0.6031 -0.0562 0.1800 -0.0292 100 GLY A N 471 C CA . GLY A 72 ? 0.4389 0.3156 0.6506 -0.0556 0.2060 -0.0313 100 GLY A CA 472 C C . GLY A 72 ? 0.4172 0.3012 0.6619 -0.0394 0.1928 -0.0191 100 GLY A C 473 O O . GLY A 72 ? 0.4195 0.2867 0.7123 -0.0334 0.2084 -0.0146 100 GLY A O 474 N N . THR A 73 ? 0.4203 0.3285 0.6436 -0.0324 0.1653 -0.0129 101 THR A N 475 C CA . THR A 73 ? 0.3842 0.3000 0.6377 -0.0168 0.1506 -0.0008 101 THR A CA 476 C C . THR A 73 ? 0.3560 0.2792 0.6427 -0.0058 0.1296 0.0132 101 THR A C 477 O O . THR A 73 ? 0.3424 0.2830 0.6068 -0.0048 0.1081 0.0157 101 THR A O 478 C CB . THR A 73 ? 0.3630 0.3007 0.5837 -0.0147 0.1312 0.0003 101 THR A CB 479 O OG1 . THR A 73 ? 0.3549 0.3118 0.5443 -0.0182 0.1129 -0.0001 101 THR A OG1 480 C CG2 . THR A 73 ? 0.3866 0.3164 0.5780 -0.0270 0.1480 -0.0095 101 THR A CG2 481 N N . ASN A 74 ? 0.3517 0.2613 0.6924 0.0014 0.1340 0.0241 102 ASN A N 482 C CA . ASN A 74 ? 0.3380 0.2523 0.7063 0.0065 0.1119 0.0393 102 ASN A CA 483 C C . ASN A 74 ? 0.3194 0.2476 0.6850 0.0163 0.0829 0.0513 102 ASN A C 484 O O . ASN A 74 ? 0.3135 0.2350 0.7172 0.0241 0.0776 0.0642 102 ASN A O 485 C CB . ASN A 74 ? 0.3513 0.2461 0.7838 0.0075 0.1242 0.0504 102 ASN A CB 486 C CG . ASN A 74 ? 0.3751 0.2741 0.8328 0.0078 0.0993 0.0676 102 ASN A CG 487 O OD1 . ASN A 74 ? 0.3579 0.2721 0.7779 0.0064 0.0758 0.0681 102 ASN A OD1 488 N ND2 . ASN A 74 ? 0.3660 0.2598 0.8800 0.0078 0.1033 0.0800 102 ASN A ND2 489 N N . THR A 75 ? 0.3189 0.2643 0.6440 0.0151 0.0640 0.0487 103 THR A N 490 C CA . THR A 75 ? 0.2980 0.2561 0.6103 0.0223 0.0427 0.0548 103 THR A CA 491 C C . THR A 75 ? 0.2948 0.2626 0.5798 0.0187 0.0230 0.0565 103 THR A C 492 O O . THR A 75 ? 0.3015 0.2672 0.5789 0.0117 0.0252 0.0535 103 THR A O 493 C CB . THR A 75 ? 0.2949 0.2642 0.5814 0.0240 0.0500 0.0447 103 THR A CB 494 O OG1 . THR A 75 ? 0.2809 0.2593 0.5702 0.0329 0.0323 0.0528 103 THR A OG1 495 C CG2 . THR A 75 ? 0.2975 0.2807 0.5401 0.0160 0.0504 0.0332 103 THR A CG2 496 N N . THR A 76 ? 0.3002 0.2768 0.5707 0.0228 0.0054 0.0609 104 THR A N 497 C CA . THR A 76 ? 0.2969 0.2768 0.5420 0.0177 -0.0104 0.0623 104 THR A CA 498 C C . THR A 76 ? 0.2907 0.2822 0.5033 0.0125 -0.0017 0.0487 104 THR A C 499 O O . THR A 76 ? 0.2880 0.2893 0.4900 0.0132 0.0098 0.0398 104 THR A O 500 C CB . THR A 76 ? 0.2855 0.2698 0.5194 0.0216 -0.0258 0.0672 104 THR A CB 501 O OG1 . THR A 76 ? 0.2734 0.2739 0.4936 0.0268 -0.0183 0.0578 104 THR A OG1 502 C CG2 . THR A 76 ? 0.2929 0.2662 0.5590 0.0266 -0.0350 0.0815 104 THR A CG2 503 N N . ALA A 77 ? 0.2972 0.2859 0.4954 0.0056 -0.0078 0.0486 105 ALA A N 504 C CA . ALA A 77 ? 0.2991 0.2972 0.4695 0.0005 -0.0016 0.0380 105 ALA A CA 505 C C . ALA A 77 ? 0.2951 0.3044 0.4410 0.0011 -0.0077 0.0346 105 ALA A C 506 O O . ALA A 77 ? 0.2959 0.3014 0.4392 0.0026 -0.0182 0.0397 105 ALA A O 507 C CB . ALA A 77 ? 0.3084 0.2980 0.4771 -0.0070 -0.0046 0.0398 105 ALA A CB 508 N N . SER A 78 ? 0.3332 0.3545 0.4624 -0.0017 -0.0003 0.0265 106 SER A N 509 C CA . SER A 78 ? 0.2910 0.3218 0.4043 -0.0025 -0.0031 0.0239 106 SER A CA 510 C C . SER A 78 ? 0.2968 0.3298 0.3945 -0.0091 0.0011 0.0189 106 SER A C 511 O O . SER A 78 ? 0.3491 0.3804 0.4458 -0.0129 0.0066 0.0162 106 SER A O 512 C CB . SER A 78 ? 0.2798 0.3272 0.3978 0.0014 -0.0002 0.0232 106 SER A CB 513 O OG . SER A 78 ? 0.3691 0.4216 0.4873 -0.0020 0.0074 0.0205 106 SER A OG 514 N N . LEU A 79 ? 0.2990 0.3342 0.3859 -0.0108 0.0000 0.0174 107 LEU A N 515 C CA . LEU A 79 ? 0.3044 0.3412 0.3789 -0.0163 0.0042 0.0134 107 LEU A CA 516 C C . LEU A 79 ? 0.2975 0.3505 0.3752 -0.0178 0.0094 0.0124 107 LEU A C 517 O O . LEU A 79 ? 0.2890 0.3544 0.3767 -0.0156 0.0093 0.0150 107 LEU A O 518 C CB . LEU A 79 ? 0.3115 0.3434 0.3768 -0.0183 0.0054 0.0119 107 LEU A CB 519 C CG . LEU A 79 ? 0.3270 0.3380 0.3793 -0.0225 -0.0011 0.0134 107 LEU A CG 520 C CD1 . LEU A 79 ? 0.3398 0.3421 0.3787 -0.0270 0.0049 0.0095 107 LEU A CD1 521 C CD2 . LEU A 79 ? 0.3373 0.3367 0.3806 -0.0289 -0.0060 0.0145 107 LEU A CD2 522 N N . GLY A 80 ? 0.3027 0.3553 0.3717 -0.0232 0.0124 0.0098 108 GLY A N 523 C CA . GLY A 80 ? 0.3016 0.3667 0.3690 -0.0286 0.0150 0.0106 108 GLY A CA 524 C C . GLY A 80 ? 0.3076 0.3707 0.3654 -0.0333 0.0169 0.0086 108 GLY A C 525 O O . GLY A 80 ? 0.3129 0.3648 0.3639 -0.0328 0.0169 0.0055 108 GLY A O 526 N N . MET A 81 ? 0.3080 0.3820 0.3657 -0.0394 0.0169 0.0118 109 MET A N 527 C CA . MET A 81 ? 0.3131 0.3870 0.3639 -0.0442 0.0181 0.0115 109 MET A CA 528 C C . MET A 81 ? 0.3221 0.3946 0.3591 -0.0533 0.0190 0.0100 109 MET A C 529 O O . MET A 81 ? 0.3264 0.4031 0.3601 -0.0601 0.0178 0.0129 109 MET A O 530 C CB . MET A 81 ? 0.3090 0.3945 0.3749 -0.0457 0.0171 0.0189 109 MET A CB 531 C CG . MET A 81 ? 0.3053 0.3878 0.3839 -0.0388 0.0216 0.0181 109 MET A CG 532 S SD . MET A 81 ? 0.3159 0.3773 0.3763 -0.0362 0.0267 0.0087 109 MET A SD 533 C CE . MET A 81 ? 0.3213 0.3820 0.3727 -0.0414 0.0279 0.0078 109 MET A CE 534 N N . TYR A 82 ? 0.3278 0.3925 0.3549 -0.0551 0.0219 0.0052 110 TYR A N 535 C CA . TYR A 82 ? 0.3395 0.3987 0.3522 -0.0643 0.0261 0.0015 110 TYR A CA 536 C C . TYR A 82 ? 0.3437 0.4029 0.3485 -0.0686 0.0259 0.0011 110 TYR A C 537 O O . TYR A 82 ? 0.3380 0.3966 0.3477 -0.0626 0.0248 0.0004 110 TYR A O 538 C CB . TYR A 82 ? 0.3428 0.3890 0.3572 -0.0617 0.0334 -0.0054 110 TYR A CB 539 C CG . TYR A 82 ? 0.3392 0.3834 0.3635 -0.0571 0.0344 -0.0047 110 TYR A CG 540 C CD1 . TYR A 82 ? 0.3488 0.3910 0.3660 -0.0645 0.0396 -0.0056 110 TYR A CD1 541 C CD2 . TYR A 82 ? 0.3293 0.3720 0.3672 -0.0470 0.0297 -0.0025 110 TYR A CD2 542 C CE1 . TYR A 82 ? 0.3448 0.3854 0.3726 -0.0595 0.0408 -0.0047 110 TYR A CE1 543 C CE2 . TYR A 82 ? 0.3253 0.3665 0.3738 -0.0422 0.0295 -0.0008 110 TYR A CE2 544 C CZ . TYR A 82 ? 0.3313 0.3724 0.3767 -0.0472 0.0354 -0.0020 110 TYR A CZ 545 O OH . TYR A 82 ? 0.3268 0.3663 0.3842 -0.0417 0.0357 -0.0002 110 TYR A OH 546 N N . GLU A 83 ? 0.3569 0.4145 0.3466 -0.0807 0.0273 0.0010 111 GLU A N 547 C CA . GLU A 83 ? 0.3634 0.4183 0.3431 -0.0859 0.0284 -0.0009 111 GLU A CA 548 C C . GLU A 83 ? 0.3586 0.4054 0.3436 -0.0781 0.0343 -0.0087 111 GLU A C 549 O O . GLU A 83 ? 0.3606 0.3986 0.3503 -0.0765 0.0412 -0.0140 111 GLU A O 550 C CB . GLU A 83 ? 0.3957 0.4434 0.3524 -0.1029 0.0321 -0.0024 111 GLU A CB 551 C CG . GLU A 83 ? 0.5211 0.5765 0.4696 -0.1163 0.0214 0.0095 111 GLU A CG 552 C CD . GLU A 83 ? 0.5931 0.6600 0.5532 -0.1156 0.0108 0.0204 111 GLU A CD 553 O OE1 . GLU A 83 ? 0.7052 0.7682 0.6560 -0.1192 0.0116 0.0184 111 GLU A OE1 554 O OE2 . GLU A 83 ? 0.4437 0.5228 0.4258 -0.1111 0.0030 0.0309 111 GLU A OE2 555 N N . CYS A 84 ? 0.3690 0.4183 0.3566 -0.0743 0.0313 -0.0079 112 CYS A N 556 C CA . CYS A 84 ? 0.3939 0.4369 0.3886 -0.0677 0.0329 -0.0122 112 CYS A CA 557 C C . CYS A 84 ? 0.4148 0.4502 0.4088 -0.0722 0.0402 -0.0182 112 CYS A C 558 O O . CYS A 84 ? 0.3614 0.3916 0.3677 -0.0683 0.0405 -0.0195 112 CYS A O 559 C CB . CYS A 84 ? 0.3728 0.4188 0.3677 -0.0641 0.0286 -0.0099 112 CYS A CB 560 S SG . CYS A 84 ? 0.5026 0.5521 0.5053 -0.0584 0.0260 -0.0049 112 CYS A SG 561 N N . ASP A 85 ? 0.3666 0.3998 0.3475 -0.0822 0.0462 -0.0210 113 ASP A N 562 C CA . ASP A 85 ? 0.4192 0.4425 0.4019 -0.0875 0.0578 -0.0282 113 ASP A CA 563 C C . ASP A 85 ? 0.4544 0.4666 0.4461 -0.0896 0.0698 -0.0325 113 ASP A C 564 O O . ASP A 85 ? 0.5276 0.5288 0.5254 -0.0951 0.0839 -0.0391 113 ASP A O 565 C CB . ASP A 85 ? 0.4670 0.4880 0.4274 -0.1002 0.0615 -0.0306 113 ASP A CB 566 C CG . ASP A 85 ? 0.6182 0.6406 0.5576 -0.1108 0.0570 -0.0259 113 ASP A CG 567 O OD1 . ASP A 85 ? 0.6599 0.6844 0.6037 -0.1080 0.0545 -0.0228 113 ASP A OD1 568 O OD2 . ASP A 85 ? 0.7474 0.7688 0.6667 -0.1230 0.0542 -0.0236 113 ASP A OD2 569 N N . ARG A 86 ? 0.3919 0.4055 0.3876 -0.0856 0.0665 -0.0293 114 ARG A N 570 C CA . ARG A 86 ? 0.4422 0.4437 0.4471 -0.0881 0.0797 -0.0334 114 ARG A CA 571 C C . ARG A 86 ? 0.4711 0.4705 0.5093 -0.0772 0.0778 -0.0299 114 ARG A C 572 O O . ARG A 86 ? 0.4426 0.4448 0.4904 -0.0698 0.0701 -0.0246 114 ARG A O 573 C CB . ARG A 86 ? 0.4036 0.4075 0.3960 -0.0907 0.0769 -0.0309 114 ARG A CB 574 C CG . ARG A 86 ? 0.4621 0.4681 0.4231 -0.1049 0.0742 -0.0300 114 ARG A CG 575 C CD . ARG A 86 ? 0.4534 0.4625 0.4064 -0.1088 0.0699 -0.0256 114 ARG A CD 576 N NE . ARG A 86 ? 0.5610 0.5564 0.5206 -0.1094 0.0842 -0.0316 114 ARG A NE 577 C CZ . ARG A 86 ? 0.6630 0.6598 0.6206 -0.1104 0.0824 -0.0287 114 ARG A CZ 578 N NH1 . ARG A 86 ? 0.4533 0.4656 0.4045 -0.1114 0.0662 -0.0193 114 ARG A NH1 579 N NH2 . ARG A 86 ? 0.7507 0.7330 0.7166 -0.1106 0.0975 -0.0344 114 ARG A NH2 580 N N . GLU A 87 ? 0.4205 0.4128 0.4788 -0.0783 0.0863 -0.0321 115 GLU A N 581 C CA . GLU A 87 ? 0.4999 0.4911 0.5924 -0.0710 0.0796 -0.0247 115 GLU A CA 582 C C . GLU A 87 ? 0.4159 0.3947 0.5415 -0.0704 0.0926 -0.0236 115 GLU A C 583 O O . GLU A 87 ? 0.3969 0.3737 0.5568 -0.0658 0.0854 -0.0140 115 GLU A O 584 C CB . GLU A 87 ? 0.6724 0.6657 0.7758 -0.0725 0.0776 -0.0239 115 GLU A CB 585 C CG . GLU A 87 ? 0.7875 0.7871 0.8975 -0.0676 0.0573 -0.0141 115 GLU A CG 586 C CD . GLU A 87 ? 0.7711 0.7793 0.8554 -0.0683 0.0486 -0.0158 115 GLU A CD 587 O OE1 . GLU A 87 ? 0.7810 0.7917 0.8518 -0.0722 0.0570 -0.0227 115 GLU A OE1 588 O OE2 . GLU A 87 ? 0.6558 0.6662 0.7330 -0.0661 0.0342 -0.0100 115 GLU A OE2 589 N N . ALA A 88 ? 0.3852 0.3539 0.5008 -0.0768 0.1113 -0.0321 116 ALA A N 590 C CA . ALA A 88 ? 0.3930 0.3497 0.5352 -0.0751 0.1234 -0.0310 116 ALA A CA 591 C C . ALA A 88 ? 0.4191 0.3835 0.5655 -0.0653 0.1056 -0.0216 116 ALA A C 592 O O . ALA A 88 ? 0.3728 0.3297 0.5542 -0.0605 0.1080 -0.0150 116 ALA A O 593 C CB . ALA A 88 ? 0.4885 0.4313 0.6061 -0.0865 0.1461 -0.0432 116 ALA A CB 594 N N . LEU A 89 ? 0.4902 0.4681 0.6044 -0.0629 0.0893 -0.0204 117 LEU A N 595 C CA . LEU A 89 ? 0.3677 0.3519 0.4837 -0.0547 0.0746 -0.0129 117 LEU A CA 596 C C . LEU A 89 ? 0.3468 0.3337 0.4786 -0.0495 0.0568 -0.0028 117 LEU A C 597 O O . LEU A 89 ? 0.3468 0.3331 0.4859 -0.0522 0.0540 -0.0011 117 LEU A O 598 C CB . LEU A 89 ? 0.3554 0.3519 0.4374 -0.0554 0.0665 -0.0149 117 LEU A CB 599 C CG . LEU A 89 ? 0.4598 0.4529 0.5190 -0.0657 0.0798 -0.0227 117 LEU A CG 600 C CD1 . LEU A 89 ? 0.3997 0.4069 0.4344 -0.0674 0.0682 -0.0200 117 LEU A CD1 601 C CD2 . LEU A 89 ? 0.4406 0.4200 0.5134 -0.0674 0.0954 -0.0257 117 LEU A CD2 602 N N . ASN A 90 ? 0.3402 0.3290 0.4745 -0.0438 0.0441 0.0044 118 ASN A N 603 C CA . ASN A 90 ? 0.3375 0.3249 0.4767 -0.0434 0.0263 0.0139 118 ASN A CA 604 C C . ASN A 90 ? 0.3366 0.3326 0.4407 -0.0438 0.0186 0.0100 118 ASN A C 605 O O . ASN A 90 ? 0.3339 0.3341 0.4247 -0.0404 0.0144 0.0098 118 ASN A O 606 C CB . ASN A 90 ? 0.3357 0.3166 0.4949 -0.0397 0.0165 0.0246 118 ASN A CB 607 C CG . ASN A 90 ? 0.3400 0.3165 0.4908 -0.0436 -0.0035 0.0341 118 ASN A CG 608 O OD1 . ASN A 90 ? 0.3451 0.3189 0.4952 -0.0501 -0.0099 0.0374 118 ASN A OD1 609 N ND2 . ASN A 90 ? 0.3406 0.3155 0.4803 -0.0413 -0.0128 0.0376 118 ASN A ND2 610 N N . LEU A 91 ? 0.3390 0.3372 0.4321 -0.0480 0.0184 0.0070 119 LEU A N 611 C CA . LEU A 91 ? 0.3402 0.3436 0.4059 -0.0491 0.0132 0.0041 119 LEU A CA 612 C C . LEU A 91 ? 0.3476 0.3425 0.4084 -0.0540 0.0010 0.0099 119 LEU A C 613 O O . LEU A 91 ? 0.3521 0.3476 0.3917 -0.0566 -0.0003 0.0067 119 LEU A O 614 C CB . LEU A 91 ? 0.3398 0.3510 0.3932 -0.0513 0.0216 -0.0031 119 LEU A CB 615 C CG . LEU A 91 ? 0.3402 0.3557 0.3922 -0.0521 0.0330 -0.0082 119 LEU A CG 616 C CD1 . LEU A 91 ? 0.3439 0.3651 0.3793 -0.0574 0.0378 -0.0132 119 LEU A CD1 617 C CD2 . LEU A 91 ? 0.3367 0.3574 0.3838 -0.0486 0.0310 -0.0068 119 LEU A CD2 618 N N . ARG A 92 ? 0.3514 0.3370 0.4325 -0.0573 -0.0078 0.0195 120 ARG A N 619 C CA . ARG A 92 ? 0.3630 0.3385 0.4402 -0.0667 -0.0219 0.0278 120 ARG A CA 620 C C . ARG A 92 ? 0.3755 0.3389 0.4382 -0.0716 -0.0346 0.0346 120 ARG A C 621 O O . ARG A 92 ? 0.3738 0.3334 0.4550 -0.0695 -0.0394 0.0421 120 ARG A O 622 C CB . ARG A 92 ? 0.3616 0.3340 0.4767 -0.0706 -0.0259 0.0378 120 ARG A CB 623 C CG . ARG A 92 ? 0.4568 0.4189 0.5706 -0.0837 -0.0445 0.0501 120 ARG A CG 624 C CD . ARG A 92 ? 0.6392 0.6017 0.7985 -0.0883 -0.0479 0.0614 120 ARG A CD 625 N NE . ARG A 92 ? 0.6888 0.6622 0.8584 -0.0824 -0.0301 0.0503 120 ARG A NE 626 C CZ . ARG A 92 ? 0.6462 0.6240 0.8054 -0.0866 -0.0307 0.0469 120 ARG A CZ 627 N NH1 . ARG A 92 ? 0.6477 0.6191 0.7849 -0.0972 -0.0476 0.0535 120 ARG A NH1 628 N NH2 . ARG A 92 ? 0.5706 0.5572 0.7387 -0.0818 -0.0141 0.0368 120 ARG A NH2 629 N N . TRP A 93 ? 0.3908 0.3458 0.4199 -0.0793 -0.0387 0.0319 121 TRP A N 630 C CA . TRP A 93 ? 0.4110 0.3489 0.4183 -0.0888 -0.0496 0.0373 121 TRP A CA 631 C C . TRP A 93 ? 0.4354 0.3564 0.4247 -0.1068 -0.0639 0.0454 121 TRP A C 632 O O . TRP A 93 ? 0.4332 0.3584 0.4286 -0.1098 -0.0647 0.0459 121 TRP A O 633 C CB . TRP A 93 ? 0.4149 0.3524 0.3945 -0.0852 -0.0377 0.0257 121 TRP A CB 634 C CG . TRP A 93 ? 0.3918 0.3475 0.3901 -0.0702 -0.0263 0.0201 121 TRP A CG 635 C CD1 . TRP A 93 ? 0.3759 0.3481 0.3816 -0.0621 -0.0144 0.0125 121 TRP A CD1 636 C CD2 . TRP A 93 ? 0.3836 0.3422 0.3961 -0.0635 -0.0276 0.0232 121 TRP A CD2 637 N NE1 . TRP A 93 ? 0.3610 0.3452 0.3815 -0.0526 -0.0085 0.0109 121 TRP A NE1 638 C CE2 . TRP A 93 ? 0.3639 0.3409 0.3897 -0.0522 -0.0156 0.0167 121 TRP A CE2 639 C CE3 . TRP A 93 ? 0.3928 0.3394 0.4062 -0.0671 -0.0385 0.0316 121 TRP A CE3 640 C CZ2 . TRP A 93 ? 0.3527 0.3368 0.3926 -0.0441 -0.0134 0.0176 121 TRP A CZ2 641 C CZ3 . TRP A 93 ? 0.3790 0.3339 0.4092 -0.0570 -0.0358 0.0321 121 TRP A CZ3 642 C CH2 . TRP A 93 ? 0.3588 0.3325 0.4021 -0.0454 -0.0229 0.0248 121 TRP A CH2 643 N N . HIS A 94 ? 0.4796 0.3800 0.4435 -0.1205 -0.0754 0.0515 122 HIS A N 644 C CA . HIS A 94 ? 0.5246 0.4030 0.4607 -0.1432 -0.0910 0.0601 122 HIS A CA 645 C C . HIS A 94 ? 0.5815 0.4373 0.4678 -0.1551 -0.0862 0.0524 122 HIS A C 646 O O . HIS A 94 ? 0.7278 0.5775 0.6107 -0.1536 -0.0870 0.0535 122 HIS A O 647 C CB . HIS A 94 ? 0.5975 0.4679 0.5599 -0.1546 -0.1156 0.0826 122 HIS A CB 648 C CG . HIS A 94 ? 0.6576 0.5485 0.6789 -0.1403 -0.1146 0.0896 122 HIS A CG 649 N ND1 . HIS A 94 ? 0.7369 0.6348 0.7859 -0.1439 -0.1197 0.0970 122 HIS A ND1 650 C CD2 . HIS A 94 ? 0.5561 0.4598 0.6141 -0.1236 -0.1065 0.0894 122 HIS A CD2 651 C CE1 . HIS A 94 ? 0.7440 0.6565 0.8450 -0.1303 -0.1128 0.1006 122 HIS A CE1 652 N NE2 . HIS A 94 ? 0.6565 0.5719 0.7621 -0.1183 -0.1046 0.0958 122 HIS A NE2 653 N N . CYS A 95 ? 0.5526 0.3945 0.4013 -0.1673 -0.0792 0.0440 123 CYS A N 654 C CA . CYS A 95 ? 0.5802 0.4015 0.3855 -0.1753 -0.0636 0.0309 123 CYS A CA 655 C C . CYS A 95 ? 0.7155 0.5065 0.4879 -0.1969 -0.0770 0.0391 123 CYS A C 656 O O . CYS A 95 ? 0.9500 0.7243 0.6932 -0.2014 -0.0622 0.0283 123 CYS A O 657 C CB . CYS A 95 ? 0.6016 0.4104 0.3747 -0.1858 -0.0516 0.0208 123 CYS A CB 658 S SG . CYS A 95 ? 0.8424 0.6274 0.5861 -0.2163 -0.0757 0.0346 123 CYS A SG 659 N N . ARG A 96 ? 0.6603 0.4425 0.4385 -0.2121 -0.1048 0.0590 124 ARG A N 660 C CA . ARG A 96 ? 0.8418 0.5909 0.5829 -0.2391 -0.1228 0.0705 124 ARG A CA 661 C C . ARG A 96 ? 0.7852 0.5391 0.5470 -0.2286 -0.1271 0.0757 124 ARG A C 662 O O . ARG A 96 ? 0.7659 0.4924 0.4899 -0.2460 -0.1311 0.0769 124 ARG A O 663 C CB . ARG A 96 ? 0.9648 0.7034 0.7092 -0.2621 -0.1544 0.0938 124 ARG A CB 664 C CG . ARG A 96 ? 1.3584 1.0559 1.0500 -0.2998 -0.1760 0.1071 124 ARG A CG 665 C CD . ARG A 96 ? 1.6174 1.3168 1.3437 -0.3033 -0.2057 0.1332 124 ARG A CD 666 N NE . ARG A 96 ? 1.6620 1.3929 1.4592 -0.2866 -0.2178 0.1485 124 ARG A NE 667 C CZ . ARG A 96 ? 1.7303 1.4777 1.5796 -0.2752 -0.2355 0.1680 124 ARG A CZ 668 N NH1 . ARG A 96 ? 1.8146 1.5516 1.6521 -0.2790 -0.2467 0.1755 124 ARG A NH1 669 N NH2 . ARG A 96 ? 1.6799 1.4542 1.5946 -0.2597 -0.2401 0.1786 124 ARG A NH2 670 N N . THR A 97 ? 0.7381 0.5236 0.5579 -0.2031 -0.1276 0.0802 125 THR A N 671 C CA . THR A 97 ? 0.6916 0.4869 0.5392 -0.1885 -0.1292 0.0844 125 THR A CA 672 C C . THR A 97 ? 0.6011 0.4196 0.4635 -0.1621 -0.1023 0.0652 125 THR A C 673 O O . THR A 97 ? 0.6353 0.4649 0.5227 -0.1482 -0.1020 0.0675 125 THR A O 674 C CB . THR A 97 ? 0.7511 0.5621 0.6560 -0.1808 -0.1475 0.1042 125 THR A CB 675 O OG1 . THR A 97 ? 0.7091 0.5483 0.6508 -0.1602 -0.1329 0.0961 125 THR A OG1 676 C CG2 . THR A 97 ? 0.7948 0.5853 0.6942 -0.2082 -0.1767 0.1270 125 THR A CG2 677 N N . LEU A 98 ? 0.5526 0.3793 0.4035 -0.1555 -0.0811 0.0485 126 LEU A N 678 C CA . LEU A 98 ? 0.5201 0.3710 0.3917 -0.1322 -0.0590 0.0345 126 LEU A CA 679 C C . LEU A 98 ? 0.5280 0.3710 0.3871 -0.1306 -0.0500 0.0285 126 LEU A C 680 O O . LEU A 98 ? 0.4986 0.3623 0.3875 -0.1125 -0.0446 0.0270 126 LEU A O 681 C CB . LEU A 98 ? 0.5170 0.3743 0.3790 -0.1291 -0.0406 0.0210 126 LEU A CB 682 C CG . LEU A 98 ? 0.4900 0.3693 0.3711 -0.1100 -0.0190 0.0089 126 LEU A CG 683 C CD1 . LEU A 98 ? 0.4502 0.3595 0.3739 -0.0906 -0.0213 0.0125 126 LEU A CD1 684 C CD2 . LEU A 98 ? 0.4968 0.3744 0.3645 -0.1118 -0.0018 -0.0020 126 LEU A CD2 685 N N . GLY A 99 ? 0.5698 0.3817 0.3842 -0.1509 -0.0473 0.0247 127 GLY A N 686 C CA . GLY A 99 ? 0.5798 0.3823 0.3827 -0.1506 -0.0360 0.0179 127 GLY A CA 687 C C . GLY A 99 ? 0.5647 0.3746 0.3910 -0.1432 -0.0526 0.0301 127 GLY A C 688 O O . GLY A 99 ? 0.5375 0.3667 0.3900 -0.1252 -0.0430 0.0257 127 GLY A O 689 N N . ASP A 100 ? 0.5811 0.3769 0.4030 -0.1571 -0.0788 0.0474 128 ASP A N 690 C CA . ASP A 100 ? 0.5658 0.3684 0.4173 -0.1499 -0.0966 0.0622 128 ASP A CA 691 C C . ASP A 100 ? 0.5148 0.3537 0.4204 -0.1215 -0.0900 0.0613 128 ASP A C 692 O O . ASP A 100 ? 0.4956 0.3455 0.4243 -0.1083 -0.0902 0.0636 128 ASP A O 693 C CB . ASP A 100 ? 0.5973 0.3823 0.4481 -0.1692 -0.1268 0.0847 128 ASP A CB 694 C CG . ASP A 100 ? 0.8168 0.5610 0.6075 -0.2029 -0.1377 0.0887 128 ASP A CG 695 O OD1 . ASP A 100 ? 0.7645 0.4909 0.5172 -0.2102 -0.1228 0.0755 128 ASP A OD1 696 O OD2 . ASP A 100 ? 1.1044 0.8328 0.8860 -0.2239 -0.1607 0.1054 128 ASP A OD2 697 N N . GLN A 101 ? 0.4948 0.3511 0.4190 -0.1132 -0.0838 0.0578 129 GLN A N 698 C CA . GLN A 101 ? 0.4542 0.3395 0.4239 -0.0909 -0.0777 0.0574 129 GLN A CA 699 C C . GLN A 101 ? 0.4335 0.3377 0.4070 -0.0755 -0.0568 0.0424 129 GLN A C 700 O O . GLN A 101 ? 0.4088 0.3300 0.4102 -0.0607 -0.0541 0.0431 129 GLN A O 701 C CB . GLN A 101 ? 0.4431 0.3382 0.4318 -0.0895 -0.0786 0.0599 129 GLN A CB 702 C CG . GLN A 101 ? 0.4432 0.3331 0.4636 -0.0940 -0.0979 0.0792 129 GLN A CG 703 C CD . GLN A 101 ? 0.4377 0.3333 0.4768 -0.0964 -0.0991 0.0827 129 GLN A CD 704 O OE1 . GLN A 101 ? 0.4308 0.3363 0.4590 -0.0926 -0.0854 0.0699 129 GLN A OE1 705 N NE2 . GLN A 101 ? 0.4408 0.3301 0.5121 -0.1030 -0.1157 0.1014 129 GLN A NE2 706 N N . LEU A 102 ? 0.4447 0.3451 0.3932 -0.0798 -0.0419 0.0300 130 LEU A N 707 C CA . LEU A 102 ? 0.4286 0.3447 0.3857 -0.0681 -0.0237 0.0192 130 LEU A CA 708 C C . LEU A 102 ? 0.4277 0.3416 0.3894 -0.0645 -0.0256 0.0214 130 LEU A C 709 O O . LEU A 102 ? 0.4004 0.3363 0.3900 -0.0495 -0.0212 0.0209 130 LEU A O 710 C CB . LEU A 102 ? 0.4480 0.3532 0.3804 -0.0764 -0.0067 0.0078 130 LEU A CB 711 C CG . LEU A 102 ? 0.4453 0.3563 0.3759 -0.0771 -0.0001 0.0033 130 LEU A CG 712 C CD1 . LEU A 102 ? 0.4662 0.3637 0.3769 -0.0848 0.0200 -0.0077 130 LEU A CD1 713 C CD2 . LEU A 102 ? 0.4086 0.3512 0.3744 -0.0603 0.0023 0.0040 130 LEU A CD2 714 N N . SER A 103 ? 0.4601 0.3463 0.3920 -0.0801 -0.0325 0.0242 131 SER A N 715 C CA . SER A 103 ? 0.4613 0.3435 0.3959 -0.0778 -0.0355 0.0269 131 SER A CA 716 C C . SER A 103 ? 0.4332 0.3326 0.4038 -0.0640 -0.0496 0.0384 131 SER A C 717 O O . SER A 103 ? 0.4101 0.3271 0.4040 -0.0498 -0.0447 0.0370 131 SER A O 718 C CB . SER A 103 ? 0.5169 0.3619 0.4088 -0.1011 -0.0448 0.0306 131 SER A CB 719 O OG . SER A 103 ? 0.5697 0.3948 0.4272 -0.1141 -0.0252 0.0169 131 SER A OG 720 N N . LEU A 104 ? 0.4363 0.3306 0.4153 -0.0683 -0.0661 0.0504 132 LEU A N 721 C CA . LEU A 104 ? 0.4128 0.3188 0.4299 -0.0564 -0.0768 0.0619 132 LEU A CA 722 C C . LEU A 104 ? 0.3774 0.3130 0.4246 -0.0369 -0.0620 0.0541 132 LEU A C 723 O O . LEU A 104 ? 0.3593 0.3069 0.4274 -0.0250 -0.0607 0.0554 132 LEU A O 724 C CB . LEU A 104 ? 0.4264 0.3218 0.4549 -0.0655 -0.0934 0.0765 132 LEU A CB 725 C CG . LEU A 104 ? 0.4352 0.3335 0.5059 -0.0580 -0.1058 0.0924 132 LEU A CG 726 C CD1 . LEU A 104 ? 0.4349 0.3232 0.5023 -0.0587 -0.1163 0.0999 132 LEU A CD1 727 C CD2 . LEU A 104 ? 0.4722 0.3574 0.5571 -0.0707 -0.1226 0.1089 132 LEU A CD2 728 N N . LEU A 105 ? 0.3699 0.3165 0.4166 -0.0352 -0.0513 0.0461 133 LEU A N 729 C CA . LEU A 105 ? 0.3430 0.3139 0.4130 -0.0216 -0.0396 0.0405 133 LEU A CA 730 C C . LEU A 105 ? 0.3315 0.3177 0.4011 -0.0148 -0.0282 0.0323 133 LEU A C 731 O O . LEU A 105 ? 0.3115 0.3162 0.4008 -0.0052 -0.0231 0.0312 133 LEU A O 732 C CB . LEU A 105 ? 0.3418 0.3176 0.4098 -0.0242 -0.0334 0.0360 133 LEU A CB 733 C CG . LEU A 105 ? 0.3511 0.3144 0.4266 -0.0312 -0.0432 0.0446 133 LEU A CG 734 C CD1 . LEU A 105 ? 0.3532 0.3197 0.4204 -0.0355 -0.0368 0.0387 133 LEU A CD1 735 C CD2 . LEU A 105 ? 0.3383 0.3052 0.4485 -0.0236 -0.0445 0.0519 133 LEU A CD2 736 N N . LEU A 106 ? 0.3458 0.3238 0.3951 -0.0212 -0.0227 0.0268 134 LEU A N 737 C CA . LEU A 106 ? 0.3338 0.3265 0.3936 -0.0146 -0.0117 0.0216 134 LEU A CA 738 C C . LEU A 106 ? 0.3217 0.3202 0.3983 -0.0063 -0.0181 0.0270 134 LEU A C 739 O O . LEU A 106 ? 0.3013 0.3208 0.3992 0.0027 -0.0128 0.0262 134 LEU A O 740 C CB . LEU A 106 ? 0.3550 0.3334 0.3945 -0.0239 -0.0004 0.0143 134 LEU A CB 741 C CG . LEU A 106 ? 0.3586 0.3397 0.3925 -0.0279 0.0104 0.0083 134 LEU A CG 742 C CD1 . LEU A 106 ? 0.3858 0.3463 0.3978 -0.0393 0.0250 0.0002 134 LEU A CD1 743 C CD2 . LEU A 106 ? 0.3316 0.3417 0.3949 -0.0179 0.0163 0.0088 134 LEU A CD2 744 N N . GLY A 107 ? 0.3339 0.3147 0.4037 -0.0100 -0.0311 0.0344 135 GLY A N 745 C CA . GLY A 107 ? 0.3212 0.3074 0.4099 -0.0012 -0.0381 0.0408 135 GLY A CA 746 C C . GLY A 107 ? 0.3221 0.3097 0.4088 0.0002 -0.0323 0.0370 135 GLY A C 747 O O . GLY A 107 ? 0.3397 0.3167 0.4070 -0.0085 -0.0228 0.0298 135 GLY A O 748 N N . ALA A 108 ? 0.3037 0.3036 0.4128 0.0110 -0.0365 0.0416 136 ALA A N 749 C CA . ALA A 108 ? 0.3002 0.3052 0.4144 0.0140 -0.0304 0.0384 136 ALA A CA 750 C C . ALA A 108 ? 0.2686 0.3015 0.4165 0.0288 -0.0300 0.0412 136 ALA A C 751 O O . ALA A 108 ? 0.2577 0.2941 0.4190 0.0356 -0.0388 0.0480 136 ALA A O 752 C CB . ALA A 108 ? 0.3232 0.3027 0.4182 0.0063 -0.0403 0.0430 136 ALA A CB 753 N N . ARG A 109 ? 0.2557 0.3074 0.4194 0.0323 -0.0190 0.0368 137 ARG A N 754 C CA . ARG A 109 ? 0.2293 0.3055 0.4231 0.0437 -0.0208 0.0410 137 ARG A CA 755 C C . ARG A 109 ? 0.2303 0.2994 0.4277 0.0476 -0.0257 0.0437 137 ARG A C 756 O O . ARG A 109 ? 0.2533 0.3001 0.4294 0.0392 -0.0238 0.0406 137 ARG A O 757 C CB . ARG A 109 ? 0.2146 0.3154 0.4306 0.0444 -0.0101 0.0390 137 ARG A CB 758 C CG . ARG A 109 ? 0.2163 0.3227 0.4273 0.0387 -0.0064 0.0375 137 ARG A CG 759 C CD . ARG A 109 ? 0.2009 0.3333 0.4418 0.0384 0.0004 0.0403 137 ARG A CD 760 N NE . ARG A 109 ? 0.2087 0.3357 0.4584 0.0355 0.0131 0.0363 137 ARG A NE 761 C CZ . ARG A 109 ? 0.1969 0.3381 0.4784 0.0389 0.0192 0.0389 137 ARG A CZ 762 N NH1 . ARG A 109 ? 0.1737 0.3396 0.4831 0.0456 0.0110 0.0470 137 ARG A NH1 763 N NH2 . ARG A 109 ? 0.2139 0.3433 0.5003 0.0342 0.0356 0.0330 137 ARG A NH2 764 N N . THR A 110 ? 0.2090 0.2944 0.4300 0.0587 -0.0321 0.0496 138 THR A N 765 C CA . THR A 110 ? 0.2074 0.2886 0.4348 0.0634 -0.0371 0.0527 138 THR A CA 766 C C . THR A 110 ? 0.2162 0.3000 0.4478 0.0597 -0.0241 0.0462 138 THR A C 767 O O . THR A 110 ? 0.2437 0.3070 0.4595 0.0545 -0.0239 0.0444 138 THR A O 768 C CB . THR A 110 ? 0.1812 0.2825 0.4369 0.0766 -0.0442 0.0595 138 THR A CB 769 O OG1 . THR A 110 ? 0.1841 0.2739 0.4366 0.0789 -0.0533 0.0654 138 THR A OG1 770 C CG2 . THR A 110 ? 0.1781 0.2773 0.4403 0.0816 -0.0482 0.0618 138 THR A CG2 771 N N . SER A 111 ? 0.1991 0.3039 0.4510 0.0596 -0.0123 0.0431 139 SER A N 772 C CA . SER A 111 ? 0.2047 0.3106 0.4688 0.0551 0.0045 0.0372 139 SER A CA 773 C C . SER A 111 ? 0.2424 0.3125 0.4686 0.0412 0.0141 0.0284 139 SER A C 774 O O . SER A 111 ? 0.2574 0.3146 0.4819 0.0361 0.0267 0.0227 139 SER A O 775 C CB . SER A 111 ? 0.1897 0.3203 0.4834 0.0544 0.0142 0.0383 139 SER A CB 776 O OG . SER A 111 ? 0.1599 0.3223 0.4930 0.0632 0.0089 0.0465 139 SER A OG 777 N N . ASN A 112 ? 0.2609 0.3130 0.4556 0.0332 0.0098 0.0269 140 ASN A N 778 C CA . ASN A 112 ? 0.3007 0.3173 0.4550 0.0169 0.0182 0.0189 140 ASN A CA 779 C C . ASN A 112 ? 0.3265 0.3139 0.4499 0.0091 0.0082 0.0206 140 ASN A C 780 O O . ASN A 112 ? 0.3635 0.3201 0.4546 -0.0069 0.0191 0.0129 140 ASN A O 781 C CB . ASN A 112 ? 0.3127 0.3190 0.4426 0.0100 0.0129 0.0188 140 ASN A CB 782 C CG . ASN A 112 ? 0.2922 0.3236 0.4471 0.0149 0.0214 0.0178 140 ASN A CG 783 O OD1 . ASN A 112 ? 0.2785 0.3215 0.4367 0.0195 0.0110 0.0226 140 ASN A OD1 784 N ND2 . ASN A 112 ? 0.2920 0.3302 0.4668 0.0129 0.0409 0.0125 140 ASN A ND2 785 N N . ILE A 113 ? 0.3123 0.3051 0.4423 0.0177 -0.0125 0.0312 141 ILE A N 786 C CA . ILE A 113 ? 0.3370 0.3020 0.4405 0.0094 -0.0264 0.0368 141 ILE A CA 787 C C . ILE A 113 ? 0.3225 0.2976 0.4474 0.0187 -0.0268 0.0388 141 ILE A C 788 O O . ILE A 113 ? 0.3385 0.2938 0.4468 0.0139 -0.0419 0.0463 141 ILE A O 789 C CB . ILE A 113 ? 0.3371 0.2945 0.4351 0.0101 -0.0505 0.0502 141 ILE A CB 790 C CG1 . ILE A 113 ? 0.2953 0.2843 0.4361 0.0307 -0.0581 0.0579 141 ILE A CG1 791 C CG2 . ILE A 113 ? 0.3558 0.2997 0.4302 -0.0016 -0.0506 0.0485 141 ILE A CG2 792 C CD1 . ILE A 113 ? 0.2966 0.2762 0.4403 0.0314 -0.0768 0.0708 141 ILE A CD1 793 N N . SER A 114 ? 0.3066 0.3144 0.4725 0.0324 -0.0145 0.0355 142 SER A N 794 C CA . SER A 114 ? 0.2963 0.3132 0.4835 0.0399 -0.0125 0.0363 142 SER A CA 795 C C . SER A 114 ? 0.2975 0.3291 0.5112 0.0400 0.0130 0.0266 142 SER A C 796 O O . SER A 114 ? 0.2520 0.3198 0.5116 0.0534 0.0155 0.0302 142 SER A O 797 C CB . SER A 114 ? 0.2384 0.2859 0.4618 0.0592 -0.0286 0.0474 142 SER A CB 798 O OG . SER A 114 ? 0.2225 0.2820 0.4696 0.0683 -0.0293 0.0498 142 SER A OG 799 N N . LYS A 115 ? 0.3074 0.3095 0.4951 0.0240 0.0314 0.0159 143 LYS A N 800 C CA . LYS A 115 ? 0.3178 0.3230 0.5284 0.0198 0.0611 0.0055 143 LYS A CA 801 C C . LYS A 115 ? 0.3254 0.3308 0.5543 0.0222 0.0702 0.0031 143 LYS A C 802 O O . LYS A 115 ? 0.3428 0.3290 0.5434 0.0188 0.0563 0.0058 143 LYS A O 803 C CB . LYS A 115 ? 0.3874 0.3524 0.5539 -0.0020 0.0809 -0.0071 143 LYS A CB 804 C CG . LYS A 115 ? 0.3959 0.3586 0.5459 -0.0063 0.0780 -0.0072 143 LYS A CG 805 C CD . LYS A 115 ? 0.5863 0.5066 0.6928 -0.0293 0.1013 -0.0210 143 LYS A CD 806 C CE . LYS A 115 ? 0.6489 0.5773 0.7650 -0.0299 0.1117 -0.0237 143 LYS A CE 807 N NZ . LYS A 115 ? 0.7886 0.6885 0.8951 -0.0461 0.1475 -0.0385 143 LYS A NZ 808 N N . PRO A 116 ? 0.2925 0.3196 0.5720 0.0276 0.0922 -0.0003 144 PRO A N 809 C CA . PRO A 116 ? 0.3021 0.3204 0.5937 0.0252 0.1078 -0.0061 144 PRO A CA 810 C C . PRO A 116 ? 0.3645 0.3270 0.5927 0.0008 0.1237 -0.0198 144 PRO A C 811 O O . PRO A 116 ? 0.4075 0.3437 0.6022 -0.0144 0.1360 -0.0279 144 PRO A O 812 C CB . PRO A 116 ? 0.2775 0.3251 0.6387 0.0312 0.1338 -0.0074 144 PRO A CB 813 C CG . PRO A 116 ? 0.2380 0.3244 0.6330 0.0435 0.1178 0.0048 144 PRO A CG 814 C CD . PRO A 116 ? 0.2620 0.3235 0.5952 0.0354 0.1027 0.0031 144 PRO A CD 815 N N . GLY A 117 ? 0.4271 0.3697 0.6353 -0.0047 0.1224 -0.0220 145 GLY A N 816 C CA . GLY A 117 ? 0.5488 0.4340 0.6903 -0.0322 0.1366 -0.0346 145 GLY A CA 817 C C . GLY A 117 ? 0.8097 0.6628 0.8821 -0.0470 0.1093 -0.0288 145 GLY A C 818 O O . GLY A 117 ? 0.9843 0.7976 1.0051 -0.0704 0.1216 -0.0382 145 GLY A O 819 N N . THR A 118 ? 0.8532 0.7233 0.9284 -0.0339 0.0728 -0.0123 146 THR A N 820 C CA . THR A 118 ? 0.8460 0.6922 0.8713 -0.0448 0.0417 -0.0012 146 THR A CA 821 C C . THR A 118 ? 0.8017 0.6398 0.8062 -0.0536 0.0449 -0.0043 146 THR A C 822 O O . THR A 118 ? 0.5918 0.4656 0.6332 -0.0352 0.0374 0.0017 146 THR A O 823 C CB . THR A 118 ? 1.4215 1.2139 1.3801 -0.0731 0.0347 -0.0016 146 THR A CB 824 O OG1 . THR A 118 ? 1.5681 1.3158 1.4735 -0.1025 0.0602 -0.0175 146 THR A OG1 825 C CG2 . THR A 118 ? 1.4427 1.2380 1.4187 -0.0678 0.0403 -0.0032 146 THR A CG2 826 N N . GLY A 128 ? 0.8809 0.5118 0.4942 -0.2383 -0.0060 -0.0026 156 GLY A N 827 C CA . GLY A 128 ? 0.7889 0.4523 0.4434 -0.2142 0.0175 -0.0144 156 GLY A CA 828 C C . GLY A 128 ? 0.9790 0.6447 0.6264 -0.2190 0.0099 -0.0113 156 GLY A C 829 O O . GLY A 128 ? 0.9926 0.6918 0.6805 -0.2000 -0.0072 -0.0006 156 GLY A O 830 N N . GLN A 129 ? 1.0601 0.6882 0.6551 -0.2456 0.0242 -0.0213 157 GLN A N 831 C CA . GLN A 129 ? 1.0423 0.6716 0.6295 -0.2505 0.0210 -0.0206 157 GLN A CA 832 C C . GLN A 129 ? 0.8305 0.4903 0.4606 -0.2255 0.0487 -0.0336 157 GLN A C 833 O O . GLN A 129 ? 0.8826 0.5448 0.5290 -0.2167 0.0783 -0.0470 157 GLN A O 834 C CB . GLN A 129 ? 1.3563 0.9317 0.8683 -0.2903 0.0271 -0.0267 157 GLN A CB 835 C CG . GLN A 129 ? 1.5172 1.0605 0.9826 -0.3212 -0.0076 -0.0088 157 GLN A CG 836 C CD . GLN A 129 ? 1.4502 1.0151 0.9402 -0.3175 -0.0452 0.0137 157 GLN A CD 837 O OE1 . GLN A 129 ? 1.4263 1.0069 0.9308 -0.3104 -0.0432 0.0123 157 GLN A OE1 838 N NE2 . GLN A 129 ? 1.4365 1.0022 0.9359 -0.3222 -0.0791 0.0355 157 GLN A NE2 839 N N . TRP A 130 ? 0.9464 0.6294 0.5982 -0.2149 0.0382 -0.0280 158 TRP A N 840 C CA . TRP A 130 ? 0.7593 0.4670 0.4453 -0.1961 0.0605 -0.0379 158 TRP A CA 841 C C . TRP A 130 ? 0.8327 0.5148 0.4807 -0.2153 0.0699 -0.0446 158 TRP A C 842 O O . TRP A 130 ? 0.9042 0.5650 0.5138 -0.2366 0.0489 -0.0364 158 TRP A O 843 C CB . TRP A 130 ? 0.6458 0.4005 0.3863 -0.1686 0.0441 -0.0276 158 TRP A CB 844 C CG . TRP A 130 ? 0.6085 0.3898 0.3875 -0.1494 0.0336 -0.0201 158 TRP A CG 845 C CD1 . TRP A 130 ? 0.6126 0.3882 0.3862 -0.1537 0.0105 -0.0082 158 TRP A CD1 846 C CD2 . TRP A 130 ? 0.5620 0.3800 0.3922 -0.1238 0.0442 -0.0223 158 TRP A CD2 847 N NE1 . TRP A 130 ? 0.5711 0.3771 0.3884 -0.1313 0.0085 -0.0048 158 TRP A NE1 848 C CE2 . TRP A 130 ? 0.5407 0.3728 0.3911 -0.1137 0.0283 -0.0132 158 TRP A CE2 849 C CE3 . TRP A 130 ? 0.5385 0.3777 0.4000 -0.1103 0.0642 -0.0292 158 TRP A CE3 850 C CZ2 . TRP A 130 ? 0.4982 0.3643 0.3948 -0.0915 0.0322 -0.0120 158 TRP A CZ2 851 C CZ3 . TRP A 130 ? 0.4970 0.3702 0.4055 -0.0897 0.0657 -0.0260 158 TRP A CZ3 852 C CH2 . TRP A 130 ? 0.4781 0.3641 0.4015 -0.0810 0.0502 -0.0182 158 TRP A CH2 853 N N . ARG A 131 ? 0.7383 0.4235 0.4014 -0.2078 0.1008 -0.0580 159 ARG A N 854 C CA . ARG A 131 ? 0.7762 0.4335 0.4043 -0.2257 0.1177 -0.0676 159 ARG A CA 855 C C . ARG A 131 ? 0.7410 0.4250 0.4172 -0.2038 0.1406 -0.0741 159 ARG A C 856 O O . ARG A 131 ? 0.7008 0.4150 0.4287 -0.1812 0.1488 -0.0734 159 ARG A O 857 C CB . ARG A 131 ? 0.8691 0.4724 0.4402 -0.2558 0.1435 -0.0817 159 ARG A CB 858 C CG . ARG A 131 ? 0.9893 0.5596 0.5070 -0.2822 0.1225 -0.0751 159 ARG A CG 859 C CD . ARG A 131 ? 1.1631 0.7151 0.6354 -0.3064 0.0910 -0.0627 159 ARG A CD 860 N NE . ARG A 131 ? 1.2878 0.8271 0.7355 -0.3224 0.0579 -0.0468 159 ARG A NE 861 C CZ . ARG A 131 ? 1.6475 1.1382 1.0326 -0.3560 0.0597 -0.0495 159 ARG A CZ 862 N NH1 . ARG A 131 ? 1.7845 1.2392 1.1272 -0.3734 0.0966 -0.0684 159 ARG A NH1 863 N NH2 . ARG A 131 ? 1.7725 1.2544 1.1411 -0.3697 0.0257 -0.0316 159 ARG A NH2 864 N N . ILE A 132 ? 0.8273 0.4993 0.4866 -0.2121 0.1497 -0.0791 160 ILE A N 865 C CA . ILE A 132 ? 0.7617 0.4486 0.4614 -0.1968 0.1766 -0.0861 160 ILE A CA 866 C C . ILE A 132 ? 0.8696 0.5328 0.5748 -0.2021 0.2152 -0.0994 160 ILE A C 867 O O . ILE A 132 ? 1.0939 0.7106 0.7468 -0.2282 0.2318 -0.1101 160 ILE A O 868 C CB . ILE A 132 ? 0.7747 0.4476 0.4505 -0.2071 0.1806 -0.0896 160 ILE A CB 869 C CG1 . ILE A 132 ? 0.7279 0.4296 0.4115 -0.1985 0.1452 -0.0760 160 ILE A CG1 870 C CG2 . ILE A 132 ? 0.7682 0.4491 0.4847 -0.1944 0.2122 -0.0968 160 ILE A CG2 871 C CD1 . ILE A 132 ? 0.8403 0.5194 0.4733 -0.2215 0.1188 -0.0692 160 ILE A CD1 872 N N . TYR A 133 ? 0.7232 0.4170 0.4928 -0.1792 0.2296 -0.0978 161 TYR A N 873 C CA . TYR A 133 ? 0.7461 0.4222 0.5385 -0.1815 0.2697 -0.1087 161 TYR A CA 874 C C . TYR A 133 ? 0.9959 0.6355 0.7679 -0.1973 0.3033 -0.1216 161 TYR A C 875 O O . TYR A 133 ? 0.9421 0.5888 0.7123 -0.1948 0.2962 -0.1189 161 TYR A O 876 C CB . TYR A 133 ? 0.6847 0.4068 0.5585 -0.1538 0.2718 -0.0990 161 TYR A CB 877 C CG . TYR A 133 ? 0.7781 0.4918 0.6954 -0.1521 0.3096 -0.1054 161 TYR A CG 878 C CD1 . TYR A 133 ? 0.7348 0.4465 0.6591 -0.1524 0.3141 -0.1070 161 TYR A CD1 879 C CD2 . TYR A 133 ? 0.9040 0.6141 0.8636 -0.1490 0.3410 -0.1080 161 TYR A CD2 880 C CE1 . TYR A 133 ? 0.7851 0.4905 0.7573 -0.1506 0.3504 -0.1121 161 TYR A CE1 881 C CE2 . TYR A 133 ? 1.0255 0.7284 1.0360 -0.1474 0.3776 -0.1119 161 TYR A CE2 882 C CZ . TYR A 133 ? 0.9449 0.6458 0.9624 -0.1483 0.3827 -0.1142 161 TYR A CZ 883 O OH . TYR A 133 ? 0.9810 0.6759 1.0559 -0.1467 0.4206 -0.1175 161 TYR A OH 884 N N . GLY A 134 ? 0.9409 0.5405 0.7009 -0.2133 0.3432 -0.1364 162 GLY A N 885 C CA . GLY A 134 ? 1.1018 0.6539 0.8200 -0.2363 0.3743 -0.1511 162 GLY A CA 886 C C . GLY A 134 ? 1.2336 0.7446 0.8585 -0.2675 0.3581 -0.1563 162 GLY A C 887 O O . GLY A 134 ? 1.4512 0.9294 1.0285 -0.2886 0.3608 -0.1627 162 GLY A O 888 N N . SER A 135 ? 1.2056 0.7161 0.8037 -0.2729 0.3412 -0.1528 163 SER A N 889 C CA . SER A 135 ? 1.3321 0.7990 0.8428 -0.3072 0.3294 -0.1569 163 SER A CA 890 C C . SER A 135 ? 1.2667 0.7222 0.7303 -0.3237 0.2982 -0.1499 163 SER A C 891 O O . SER A 135 ? 1.4779 0.9048 0.8738 -0.3506 0.2926 -0.1475 163 SER A O 892 C CB . SER A 135 ? 1.1995 0.6886 0.7078 -0.3015 0.3005 -0.1465 163 SER A CB 893 O OG . SER A 135 ? 1.0111 0.5418 0.5368 -0.2861 0.2537 -0.1283 163 SER A OG 894 N N . GLU A 136 ? 1.1669 0.6649 0.6744 -0.3000 0.2723 -0.1370 164 GLU A N 895 C CA . GLU A 136 ? 1.1728 0.6657 0.6481 -0.3113 0.2407 -0.1274 164 GLU A CA 896 C C . GLU A 136 ? 1.2174 0.7063 0.6493 -0.3278 0.1988 -0.1132 164 GLU A C 897 O O . GLU A 136 ? 1.3587 0.8238 0.7434 -0.3510 0.1757 -0.1058 164 GLU A O 898 C CB . GLU A 136 ? 1.3259 0.7691 0.7508 -0.3386 0.2660 -0.1400 164 GLU A CB 899 C CG . GLU A 136 ? 1.4434 0.8922 0.9195 -0.3225 0.3032 -0.1515 164 GLU A CG 900 C CD . GLU A 136 ? 1.4164 0.9126 0.9466 -0.2944 0.2782 -0.1380 164 GLU A CD 901 O OE1 . GLU A 136 ? 1.3978 0.8832 0.8944 -0.3065 0.2546 -0.1315 164 GLU A OE1 902 O OE2 . GLU A 136 ? 1.3205 0.8639 0.9261 -0.2618 0.2813 -0.1329 164 GLU A OE2 903 N N . GLU A 137 ? 1.2626 0.7750 0.7137 -0.3167 0.1875 -0.1076 165 GLU A N 904 C CA . GLU A 137 ? 1.2190 0.7373 0.6473 -0.3272 0.1462 -0.0913 165 GLU A CA 905 C C . GLU A 137 ? 0.9514 0.5157 0.4275 -0.3032 0.1102 -0.0729 165 GLU A C 906 O O . GLU A 137 ? 0.8634 0.4597 0.3917 -0.2756 0.1170 -0.0733 165 GLU A O 907 C CB . GLU A 137 ? 1.2909 0.8200 0.7278 -0.3222 0.1484 -0.0922 165 GLU A CB 908 C CG . GLU A 137 ? 1.4783 0.9898 0.8676 -0.3489 0.1170 -0.0805 165 GLU A CG 909 C CD . GLU A 137 ? 1.7817 1.2460 1.1022 -0.3814 0.1361 -0.0876 165 GLU A CD 910 O OE1 . GLU A 137 ? 1.8602 1.3110 1.1810 -0.3791 0.1760 -0.1040 165 GLU A OE1 911 O OE2 . GLU A 137 ? 1.9813 1.4305 1.2558 -0.4041 0.1120 -0.0720 165 GLU A OE2 912 N N . ASP A 138 ? 1.0275 0.5924 0.4859 -0.3160 0.0720 -0.0556 166 ASP A N 913 C CA . ASP A 138 ? 1.0370 0.6428 0.5442 -0.2941 0.0404 -0.0379 166 ASP A CA 914 C C . ASP A 138 ? 0.8048 0.4584 0.3724 -0.2617 0.0396 -0.0359 166 ASP A C 915 O O . ASP A 138 ? 0.8166 0.4708 0.3817 -0.2616 0.0508 -0.0421 166 ASP A O 916 C CB . ASP A 138 ? 1.2455 0.8364 0.7243 -0.3187 0.0008 -0.0177 166 ASP A CB 917 C CG . ASP A 138 ? 1.4582 1.0521 0.9314 -0.3277 -0.0146 -0.0099 166 ASP A CG 918 O OD1 . ASP A 138 ? 1.5654 1.1463 1.0176 -0.3331 0.0084 -0.0238 166 ASP A OD1 919 O OD2 . ASP A 138 ? 1.5276 1.1370 1.0216 -0.3291 -0.0488 0.0107 166 ASP A OD2 920 N N . LEU A 139 ? 0.9397 0.6317 0.5593 -0.2361 0.0257 -0.0267 167 LEU A N 921 C CA . LEU A 139 ? 0.7708 0.5060 0.4455 -0.2062 0.0283 -0.0263 167 LEU A CA 922 C C . LEU A 139 ? 0.8851 0.6305 0.5641 -0.2083 0.0119 -0.0186 167 LEU A C 923 O O . LEU A 139 ? 0.8158 0.5937 0.5349 -0.1866 0.0142 -0.0188 167 LEU A O 924 C CB . LEU A 139 ? 0.6431 0.4105 0.3637 -0.1839 0.0161 -0.0179 167 LEU A CB 925 C CG . LEU A 139 ? 0.6437 0.4078 0.3694 -0.1780 0.0321 -0.0249 167 LEU A CG 926 C CD1 . LEU A 139 ? 0.6063 0.3972 0.3697 -0.1604 0.0158 -0.0147 167 LEU A CD1 927 C CD2 . LEU A 139 ? 0.6308 0.4047 0.3772 -0.1648 0.0633 -0.0384 167 LEU A CD2 928 N N . CYS A 140 ? 0.9126 0.6313 0.5523 -0.2351 -0.0060 -0.0106 168 CYS A N 929 C CA . CYS A 140 ? 0.8442 0.5673 0.4827 -0.2417 -0.0190 -0.0041 168 CYS A CA 930 C C . CYS A 140 ? 0.8971 0.5990 0.5016 -0.2528 0.0039 -0.0184 168 CYS A C 931 O O . CYS A 140 ? 0.8803 0.5842 0.4804 -0.2591 -0.0047 -0.0146 168 CYS A O 932 C CB . CYS A 140 ? 0.8909 0.5951 0.5070 -0.2681 -0.0522 0.0149 168 CYS A CB 933 S SG . CYS A 140 ? 1.0026 0.7329 0.6711 -0.2551 -0.0816 0.0361 168 CYS A SG 934 N N . ALA A 141 ? 0.8166 0.4977 0.4004 -0.2555 0.0344 -0.0346 169 ALA A N 935 C CA . ALA A 141 ? 0.9548 0.6083 0.5042 -0.2694 0.0600 -0.0486 169 ALA A CA 936 C C . ALA A 141 ? 0.8468 0.5281 0.4298 -0.2506 0.0653 -0.0504 169 ALA A C 937 O O . ALA A 141 ? 0.9088 0.5726 0.4636 -0.2655 0.0685 -0.0534 169 ALA A O 938 C CB . ALA A 141 ? 1.0035 0.6367 0.5450 -0.2689 0.0969 -0.0655 169 ALA A CB 939 N N . LEU A 142 ? 0.7778 0.5006 0.4183 -0.2195 0.0663 -0.0484 170 LEU A N 940 C CA . LEU A 142 ? 0.6812 0.4296 0.3545 -0.2012 0.0740 -0.0506 170 LEU A CA 941 C C . LEU A 142 ? 0.6362 0.4215 0.3462 -0.1858 0.0473 -0.0377 170 LEU A C 942 O O . LEU A 142 ? 0.5935 0.4106 0.3469 -0.1627 0.0485 -0.0361 170 LEU A O 943 C CB . LEU A 142 ? 0.6607 0.4212 0.3684 -0.1820 0.1020 -0.0595 170 LEU A CB 944 C CG . LEU A 142 ? 0.7261 0.4475 0.4033 -0.1980 0.1317 -0.0723 170 LEU A CG 945 C CD1 . LEU A 142 ? 0.7020 0.4361 0.4240 -0.1796 0.1594 -0.0782 170 LEU A CD1 946 C CD2 . LEU A 142 ? 0.8138 0.4992 0.4449 -0.2208 0.1442 -0.0804 170 LEU A CD2 947 N N . PRO A 143 ? 0.7633 0.5434 0.4577 -0.2001 0.0238 -0.0278 171 PRO A N 948 C CA . PRO A 143 ? 0.6396 0.4519 0.3733 -0.1868 0.0021 -0.0159 171 PRO A CA 949 C C . PRO A 143 ? 0.5917 0.4302 0.3554 -0.1678 0.0117 -0.0204 171 PRO A C 950 O O . PRO A 143 ? 0.6545 0.4854 0.4081 -0.1670 0.0310 -0.0301 171 PRO A O 951 C CB . PRO A 143 ? 0.6954 0.4915 0.4059 -0.2105 -0.0223 -0.0038 171 PRO A CB 952 C CG . PRO A 143 ? 0.7902 0.5533 0.4507 -0.2313 -0.0086 -0.0131 171 PRO A CG 953 C CD . PRO A 143 ? 0.8248 0.5701 0.4682 -0.2295 0.0191 -0.0275 171 PRO A CD 954 N N . TYR A 144 ? 0.7953 0.6630 0.5974 -0.1531 -0.0006 -0.0131 172 TYR A N 955 C CA . TYR A 144 ? 0.7087 0.6000 0.5364 -0.1384 0.0041 -0.0153 172 TYR A CA 956 C C . TYR A 144 ? 0.7057 0.5940 0.5258 -0.1497 -0.0084 -0.0101 172 TYR A C 957 O O . TYR A 144 ? 0.6539 0.5389 0.4761 -0.1609 -0.0283 0.0011 172 TYR A O 958 C CB . TYR A 144 ? 0.5478 0.4671 0.4151 -0.1213 -0.0011 -0.0111 172 TYR A CB 959 C CG . TYR A 144 ? 0.4755 0.4167 0.3659 -0.1100 0.0012 -0.0121 172 TYR A CG 960 C CD1 . TYR A 144 ? 0.4349 0.3848 0.3307 -0.0996 0.0161 -0.0187 172 TYR A CD1 961 C CD2 . TYR A 144 ? 0.4553 0.4076 0.3654 -0.1105 -0.0115 -0.0053 172 TYR A CD2 962 C CE1 . TYR A 144 ? 0.4633 0.4313 0.3768 -0.0912 0.0169 -0.0189 172 TYR A CE1 963 C CE2 . TYR A 144 ? 0.4116 0.3821 0.3407 -0.1013 -0.0078 -0.0074 172 TYR A CE2 964 C CZ . TYR A 144 ? 0.4039 0.3815 0.3311 -0.0922 0.0057 -0.0144 172 TYR A CZ 965 O OH . TYR A 144 ? 0.3918 0.3851 0.3336 -0.0850 0.0084 -0.0158 172 TYR A OH 966 N N . HIS A 145 ? 0.6775 0.5681 0.4937 -0.1466 0.0021 -0.0163 173 HIS A N 967 C CA . HIS A 145 ? 0.6175 0.5100 0.4319 -0.1546 -0.0093 -0.0115 173 HIS A CA 968 C C . HIS A 145 ? 0.5080 0.4290 0.3563 -0.1363 -0.0060 -0.0128 173 HIS A C 969 O O . HIS A 145 ? 0.4688 0.3975 0.3243 -0.1235 0.0100 -0.0201 173 HIS A O 970 C CB . HIS A 145 ? 0.6633 0.5278 0.4357 -0.1720 -0.0013 -0.0172 173 HIS A CB 971 C CG . HIS A 145 ? 1.0022 0.8337 0.7332 -0.1965 -0.0071 -0.0149 173 HIS A CG 972 N ND1 . HIS A 145 ? 1.1909 0.9911 0.8824 -0.2083 0.0131 -0.0259 173 HIS A ND1 973 C CD2 . HIS A 145 ? 1.1689 0.9920 0.8926 -0.2128 -0.0305 -0.0020 173 HIS A CD2 974 C CE1 . HIS A 145 ? 1.3238 1.0961 0.9787 -0.2324 0.0022 -0.0212 173 HIS A CE1 975 N NE2 . HIS A 145 ? 1.3157 1.1020 0.9900 -0.2357 -0.0262 -0.0053 173 HIS A NE2 976 N N . GLU A 146 ? 0.4950 0.4304 0.3663 -0.1367 -0.0214 -0.0044 174 GLU A N 977 C CA . GLU A 146 ? 0.4366 0.3954 0.3355 -0.1235 -0.0186 -0.0058 174 GLU A CA 978 C C . GLU A 146 ? 0.4442 0.3993 0.3276 -0.1247 -0.0113 -0.0111 174 GLU A C 979 O O . GLU A 146 ? 0.5308 0.4670 0.3867 -0.1400 -0.0148 -0.0104 174 GLU A O 980 C CB . GLU A 146 ? 0.4420 0.4132 0.3713 -0.1263 -0.0341 0.0043 174 GLU A CB 981 C CG . GLU A 146 ? 0.5497 0.5286 0.5051 -0.1203 -0.0361 0.0083 174 GLU A CG 982 C CD . GLU A 146 ? 0.6503 0.6447 0.6471 -0.1178 -0.0419 0.0151 174 GLU A CD 983 O OE1 . GLU A 146 ? 0.7892 0.7855 0.7958 -0.1262 -0.0520 0.0219 174 GLU A OE1 984 O OE2 . GLU A 146 ? 0.5722 0.5757 0.5926 -0.1084 -0.0347 0.0134 174 GLU A OE2 985 N N . VAL A 147 ? 0.4714 0.4439 0.3725 -0.1099 -0.0020 -0.0156 175 VAL A N 986 C CA . VAL A 147 ? 0.4867 0.4584 0.3804 -0.1062 0.0081 -0.0206 175 VAL A CA 987 C C . VAL A 147 ? 0.4141 0.4077 0.3325 -0.0984 0.0027 -0.0185 175 VAL A C 988 O O . VAL A 147 ? 0.3769 0.3865 0.3155 -0.0878 0.0055 -0.0189 175 VAL A O 989 C CB . VAL A 147 ? 0.4871 0.4574 0.3820 -0.0963 0.0251 -0.0258 175 VAL A CB 990 C CG1 . VAL A 147 ? 0.4146 0.3927 0.3190 -0.0881 0.0331 -0.0273 175 VAL A CG1 991 C CG2 . VAL A 147 ? 0.5434 0.4876 0.4121 -0.1059 0.0355 -0.0300 175 VAL A CG2 992 N N . TYR A 148 ? 0.4011 0.3940 0.3161 -0.1053 -0.0045 -0.0162 176 TYR A N 993 C CA . TYR A 148 ? 0.3781 0.3915 0.3186 -0.0989 -0.0094 -0.0142 176 TYR A CA 994 C C . TYR A 148 ? 0.3674 0.3886 0.3100 -0.0875 0.0016 -0.0190 176 TYR A C 995 O O . TYR A 148 ? 0.3804 0.3897 0.3061 -0.0880 0.0100 -0.0221 176 TYR A O 996 C CB . TYR A 148 ? 0.3847 0.3966 0.3262 -0.1110 -0.0230 -0.0079 176 TYR A CB 997 C CG . TYR A 148 ? 0.5064 0.5099 0.4501 -0.1241 -0.0364 0.0006 176 TYR A CG 998 C CD1 . TYR A 148 ? 0.4046 0.4214 0.3838 -0.1213 -0.0424 0.0066 176 TYR A CD1 999 C CD2 . TYR A 148 ? 0.5643 0.5436 0.4741 -0.1402 -0.0412 0.0028 176 TYR A CD2 1000 C CE1 . TYR A 148 ? 0.4987 0.5076 0.4859 -0.1327 -0.0553 0.0169 176 TYR A CE1 1001 C CE2 . TYR A 148 ? 0.5228 0.4932 0.4342 -0.1537 -0.0560 0.0130 176 TYR A CE2 1002 C CZ . TYR A 148 ? 0.5454 0.5319 0.4984 -0.1491 -0.0639 0.0210 176 TYR A CZ 1003 O OH . TYR A 148 ? 0.6619 0.6394 0.6222 -0.1624 -0.0795 0.0336 176 TYR A OH 1004 N N . THR A 149 ? 0.3469 0.3854 0.3104 -0.0786 0.0027 -0.0193 177 THR A N 1005 C CA . THR A 149 ? 0.3383 0.3841 0.3047 -0.0699 0.0097 -0.0209 177 THR A CA 1006 C C . THR A 149 ? 0.3340 0.3845 0.3025 -0.0698 0.0067 -0.0206 177 THR A C 1007 O O . THR A 149 ? 0.3314 0.3859 0.3067 -0.0755 -0.0020 -0.0187 177 THR A O 1008 C CB . THR A 149 ? 0.3247 0.3835 0.3051 -0.0646 0.0113 -0.0210 177 THR A CB 1009 O OG1 . THR A 149 ? 0.3166 0.3832 0.3125 -0.0678 0.0069 -0.0213 177 THR A OG1 1010 C CG2 . THR A 149 ? 0.3297 0.3838 0.3060 -0.0636 0.0157 -0.0207 177 THR A CG2 1011 N N . ILE A 150 ? 0.3325 0.3832 0.2997 -0.0633 0.0134 -0.0208 178 ILE A N 1012 C CA . ILE A 150 ? 0.3287 0.3828 0.2976 -0.0613 0.0125 -0.0205 178 ILE A CA 1013 C C . ILE A 150 ? 0.3121 0.3815 0.2963 -0.0533 0.0122 -0.0184 178 ILE A C 1014 O O . ILE A 150 ? 0.3122 0.3816 0.2993 -0.0493 0.0165 -0.0155 178 ILE A O 1015 C CB . ILE A 150 ? 0.3462 0.3826 0.3009 -0.0620 0.0229 -0.0217 178 ILE A CB 1016 C CG1 . ILE A 150 ? 0.3706 0.3865 0.3018 -0.0741 0.0244 -0.0247 178 ILE A CG1 1017 C CG2 . ILE A 150 ? 0.3440 0.3820 0.2997 -0.0602 0.0229 -0.0215 178 ILE A CG2 1018 C CD1 . ILE A 150 ? 0.3766 0.3913 0.2987 -0.0856 0.0119 -0.0234 178 ILE A CD1 1019 N N . GLN A 151 ? 0.2998 0.3817 0.2944 -0.0530 0.0063 -0.0187 179 GLN A N 1020 C CA . GLN A 151 ? 0.2880 0.3821 0.2928 -0.0484 0.0057 -0.0173 179 GLN A CA 1021 C C . GLN A 151 ? 0.2900 0.3849 0.2942 -0.0509 0.0077 -0.0178 179 GLN A C 1022 O O . GLN A 151 ? 0.2917 0.3851 0.2978 -0.0552 0.0080 -0.0207 179 GLN A O 1023 C CB . GLN A 151 ? 0.2882 0.3806 0.2931 -0.0421 0.0080 -0.0129 179 GLN A CB 1024 C CG . GLN A 151 ? 0.2885 0.3783 0.2920 -0.0412 0.0076 -0.0140 179 GLN A CG 1025 C CD . GLN A 151 ? 0.2847 0.3757 0.2949 -0.0341 0.0096 -0.0096 179 GLN A CD 1026 O OE1 . GLN A 151 ? 0.2813 0.3759 0.2998 -0.0300 0.0094 -0.0036 179 GLN A OE1 1027 N NE2 . GLN A 151 ? 0.2875 0.3742 0.2942 -0.0342 0.0107 -0.0113 179 GLN A NE2 1028 N N . GLY A 152 ? 0.2920 0.3880 0.2938 -0.0499 0.0085 -0.0138 180 GLY A N 1029 C CA . GLY A 152 ? 0.2974 0.3930 0.2945 -0.0559 0.0099 -0.0150 180 GLY A CA 1030 C C . GLY A 152 ? 0.2940 0.3950 0.2960 -0.0607 0.0122 -0.0214 180 GLY A C 1031 O O . GLY A 152 ? 0.2854 0.3934 0.2963 -0.0589 0.0110 -0.0230 180 GLY A O 1032 N N . ASN A 153 ? 0.3026 0.3993 0.2997 -0.0677 0.0175 -0.0250 181 ASN A N 1033 C CA . ASN A 153 ? 0.3095 0.4064 0.3138 -0.0742 0.0255 -0.0324 181 ASN A CA 1034 C C . ASN A 153 ? 0.3084 0.4032 0.3295 -0.0752 0.0308 -0.0364 181 ASN A C 1035 O O . ASN A 153 ? 0.3233 0.4142 0.3525 -0.0818 0.0418 -0.0425 181 ASN A O 1036 C CB . ASN A 153 ? 0.3381 0.4272 0.3225 -0.0851 0.0307 -0.0341 181 ASN A CB 1037 C CG . ASN A 153 ? 0.3538 0.4346 0.3242 -0.0898 0.0312 -0.0321 181 ASN A CG 1038 O OD1 . ASN A 153 ? 0.3416 0.4227 0.3198 -0.0839 0.0298 -0.0309 181 ASN A OD1 1039 N ND2 . ASN A 153 ? 0.3872 0.4594 0.3350 -0.1023 0.0327 -0.0311 181 ASN A ND2 1040 N N . SER A 154 ? 0.2982 0.3921 0.3227 -0.0708 0.0248 -0.0327 182 SER A N 1041 C CA . SER A 154 ? 0.2985 0.3888 0.3380 -0.0729 0.0268 -0.0333 182 SER A CA 1042 C C . SER A 154 ? 0.2892 0.3845 0.3531 -0.0729 0.0205 -0.0298 182 SER A C 1043 O O . SER A 154 ? 0.2906 0.3821 0.3673 -0.0755 0.0177 -0.0265 182 SER A O 1044 C CB . SER A 154 ? 0.3048 0.3879 0.3298 -0.0713 0.0233 -0.0304 182 SER A CB 1045 O OG . SER A 154 ? 0.3134 0.3930 0.3205 -0.0729 0.0270 -0.0310 182 SER A OG 1046 N N . HIS A 155 ? 0.2811 0.3842 0.3501 -0.0710 0.0152 -0.0283 183 HIS A N 1047 C CA . HIS A 155 ? 0.2745 0.3831 0.3677 -0.0738 0.0067 -0.0227 183 HIS A CA 1048 C C . HIS A 155 ? 0.2824 0.3827 0.3661 -0.0775 -0.0042 -0.0163 183 HIS A C 1049 O O . HIS A 155 ? 0.3495 0.4503 0.4551 -0.0843 -0.0127 -0.0090 183 HIS A O 1050 C CB . HIS A 155 ? 0.2874 0.4001 0.4197 -0.0783 0.0137 -0.0227 183 HIS A CB 1051 C CG . HIS A 155 ? 0.2943 0.4102 0.4323 -0.0781 0.0282 -0.0310 183 HIS A CG 1052 N ND1 . HIS A 155 ? 0.2843 0.4097 0.4264 -0.0760 0.0273 -0.0323 183 HIS A ND1 1053 C CD2 . HIS A 155 ? 0.3196 0.4277 0.4550 -0.0816 0.0445 -0.0388 183 HIS A CD2 1054 C CE1 . HIS A 155 ? 0.3013 0.4241 0.4429 -0.0787 0.0423 -0.0406 183 HIS A CE1 1055 N NE2 . HIS A 155 ? 0.3288 0.4399 0.4644 -0.0832 0.0535 -0.0450 183 HIS A NE2 1056 N N . GLY A 156 ? 0.2917 0.3828 0.3445 -0.0748 -0.0040 -0.0178 184 GLY A N 1057 C CA . GLY A 156 ? 0.3049 0.3842 0.3405 -0.0799 -0.0116 -0.0138 184 GLY A CA 1058 C C . GLY A 156 ? 0.3129 0.3835 0.3478 -0.0833 -0.0118 -0.0121 184 GLY A C 1059 O O . GLY A 156 ? 0.3274 0.3858 0.3464 -0.0900 -0.0184 -0.0085 184 GLY A O 1060 N N . LYS A 157 ? 0.3166 0.3913 0.3666 -0.0803 -0.0042 -0.0147 185 LYS A N 1061 C CA . LYS A 157 ? 0.3295 0.3970 0.3837 -0.0828 -0.0040 -0.0127 185 LYS A CA 1062 C C . LYS A 157 ? 0.3320 0.3891 0.3558 -0.0810 -0.0029 -0.0146 185 LYS A C 1063 O O . LYS A 157 ? 0.3327 0.3901 0.3393 -0.0757 0.0026 -0.0185 185 LYS A O 1064 C CB . LYS A 157 ? 0.3290 0.4007 0.4016 -0.0804 0.0081 -0.0173 185 LYS A CB 1065 C CG . LYS A 157 ? 0.4788 0.5434 0.5449 -0.0796 0.0135 -0.0191 185 LYS A CG 1066 C CD . LYS A 157 ? 0.5664 0.6312 0.6524 -0.0808 0.0271 -0.0237 185 LYS A CD 1067 C CE . LYS A 157 ? 0.5581 0.6148 0.6428 -0.0810 0.0309 -0.0236 185 LYS A CE 1068 N NZ . LYS A 157 ? 0.5857 0.6384 0.6711 -0.0833 0.0478 -0.0316 185 LYS A NZ 1069 N N . PRO A 158 ? 0.3477 0.3948 0.3676 -0.0859 -0.0081 -0.0106 186 PRO A N 1070 C CA . PRO A 158 ? 0.3955 0.4310 0.3880 -0.0853 -0.0055 -0.0127 186 PRO A CA 1071 C C . PRO A 158 ? 0.3712 0.4110 0.3603 -0.0770 0.0049 -0.0176 186 PRO A C 1072 O O . PRO A 158 ? 0.3858 0.4335 0.3887 -0.0744 0.0093 -0.0192 186 PRO A O 1073 C CB . PRO A 158 ? 0.3812 0.4060 0.3747 -0.0934 -0.0140 -0.0067 186 PRO A CB 1074 C CG . PRO A 158 ? 0.4439 0.4734 0.4644 -0.1004 -0.0247 0.0015 186 PRO A CG 1075 C CD . PRO A 158 ? 0.3665 0.4116 0.4103 -0.0933 -0.0169 -0.0024 186 PRO A CD 1076 N N . CYS A 159 ? 0.3485 0.3815 0.3198 -0.0748 0.0097 -0.0192 187 CYS A N 1077 C CA . CYS A 159 ? 0.3452 0.3818 0.3166 -0.0693 0.0165 -0.0203 187 CYS A CA 1078 C C . CYS A 159 ? 0.3927 0.4289 0.3711 -0.0703 0.0155 -0.0197 187 CYS A C 1079 O O . CYS A 159 ? 0.3988 0.4270 0.3770 -0.0745 0.0104 -0.0177 187 CYS A O 1080 C CB . CYS A 159 ? 0.3551 0.3826 0.3149 -0.0679 0.0227 -0.0204 187 CYS A CB 1081 S SG . CYS A 159 ? 0.4601 0.4852 0.4162 -0.0658 0.0282 -0.0206 187 CYS A SG 1082 N N . THR A 160 ? 0.4158 0.4588 0.3989 -0.0679 0.0198 -0.0207 188 THR A N 1083 C CA . THR A 160 ? 0.3790 0.4205 0.3660 -0.0682 0.0214 -0.0206 188 THR A CA 1084 C C . THR A 160 ? 0.4003 0.4401 0.3792 -0.0656 0.0233 -0.0187 188 THR A C 1085 O O . THR A 160 ? 0.4217 0.4673 0.3997 -0.0648 0.0255 -0.0167 188 THR A O 1086 C CB . THR A 160 ? 0.4075 0.4540 0.4001 -0.0703 0.0268 -0.0232 188 THR A CB 1087 O OG1 . THR A 160 ? 0.4350 0.4823 0.4415 -0.0727 0.0282 -0.0251 188 THR A OG1 1088 C CG2 . THR A 160 ? 0.4886 0.5320 0.4837 -0.0711 0.0300 -0.0235 188 THR A CG2 1089 N N . ILE A 161 ? 0.3759 0.4072 0.3512 -0.0659 0.0220 -0.0181 189 ILE A N 1090 C CA . ILE A 161 ? 0.3709 0.3991 0.3428 -0.0637 0.0260 -0.0168 189 ILE A CA 1091 C C . ILE A 161 ? 0.3659 0.3942 0.3423 -0.0632 0.0247 -0.0160 189 ILE A C 1092 O O . ILE A 161 ? 0.5177 0.5393 0.4946 -0.0654 0.0203 -0.0159 189 ILE A O 1093 C CB . ILE A 161 ? 0.4149 0.4287 0.3747 -0.0664 0.0287 -0.0183 189 ILE A CB 1094 C CG1 . ILE A 161 ? 0.4288 0.4409 0.3838 -0.0675 0.0306 -0.0195 189 ILE A CG1 1095 C CG2 . ILE A 161 ? 0.3896 0.3990 0.3512 -0.0643 0.0369 -0.0177 189 ILE A CG2 1096 C CD1 . ILE A 161 ? 0.3658 0.3860 0.3312 -0.0627 0.0366 -0.0169 189 ILE A CD1 1097 N N . PRO A 162 ? 0.3888 0.4243 0.3702 -0.0613 0.0271 -0.0138 190 PRO A N 1098 C CA . PRO A 162 ? 0.3973 0.4417 0.3828 -0.0616 0.0285 -0.0097 190 PRO A CA 1099 C C . PRO A 162 ? 0.3545 0.4047 0.3368 -0.0659 0.0268 -0.0102 190 PRO A C 1100 O O . PRO A 162 ? 0.4338 0.4817 0.4146 -0.0680 0.0277 -0.0146 190 PRO A O 1101 C CB . PRO A 162 ? 0.3852 0.4336 0.3781 -0.0610 0.0288 -0.0052 190 PRO A CB 1102 C CG . PRO A 162 ? 0.3969 0.4417 0.3869 -0.0609 0.0275 -0.0089 190 PRO A CG 1103 C CD . PRO A 162 ? 0.3847 0.4197 0.3699 -0.0604 0.0265 -0.0130 190 PRO A CD 1104 N N . PHE A 163 ? 0.3451 0.4011 0.3282 -0.0685 0.0252 -0.0050 191 PHE A N 1105 C CA . PHE A 163 ? 0.3498 0.4086 0.3245 -0.0760 0.0236 -0.0048 191 PHE A CA 1106 C C . PHE A 163 ? 0.3556 0.4198 0.3311 -0.0831 0.0181 0.0056 191 PHE A C 1107 O O . PHE A 163 ? 0.3520 0.4202 0.3426 -0.0800 0.0160 0.0140 191 PHE A O 1108 C CB . PHE A 163 ? 0.3480 0.4074 0.3209 -0.0753 0.0234 -0.0067 191 PHE A CB 1109 C CG . PHE A 163 ? 0.3449 0.4066 0.3269 -0.0710 0.0218 -0.0002 191 PHE A CG 1110 C CD1 . PHE A 163 ? 0.3480 0.4148 0.3347 -0.0756 0.0168 0.0099 191 PHE A CD1 1111 C CD2 . PHE A 163 ? 0.3424 0.3987 0.3285 -0.0644 0.0257 -0.0033 191 PHE A CD2 1112 C CE1 . PHE A 163 ? 0.3451 0.4131 0.3477 -0.0711 0.0174 0.0171 191 PHE A CE1 1113 C CE2 . PHE A 163 ? 0.3429 0.3978 0.3386 -0.0612 0.0287 0.0013 191 PHE A CE2 1114 C CZ . PHE A 163 ? 0.3426 0.4040 0.3502 -0.0633 0.0253 0.0117 191 PHE A CZ 1115 N N . LYS A 164 ? 0.3675 0.4300 0.3279 -0.0947 0.0165 0.0060 192 LYS A N 1116 C CA . LYS A 164 ? 0.4002 0.4663 0.3580 -0.1063 0.0074 0.0189 192 LYS A CA 1117 C C . LYS A 164 ? 0.3852 0.4523 0.3389 -0.1125 0.0016 0.0253 192 LYS A C 1118 O O . LYS A 164 ? 0.3873 0.4496 0.3278 -0.1141 0.0062 0.0166 192 LYS A O 1119 C CB . LYS A 164 ? 0.4112 0.4712 0.3482 -0.1204 0.0079 0.0172 192 LYS A CB 1120 C CG . LYS A 164 ? 0.5099 0.5731 0.4433 -0.1358 -0.0050 0.0335 192 LYS A CG 1121 C CD . LYS A 164 ? 0.7070 0.7605 0.6130 -0.1533 -0.0040 0.0313 192 LYS A CD 1122 C CE . LYS A 164 ? 0.7167 0.7699 0.6296 -0.1442 0.0042 0.0232 192 LYS A CE 1123 N NZ . LYS A 164 ? 0.8650 0.9076 0.7513 -0.1625 0.0059 0.0219 192 LYS A NZ 1124 N N . TYR A 165 ? 0.3839 0.4575 0.3542 -0.1156 -0.0084 0.0416 193 TYR A N 1125 C CA . TYR A 165 ? 0.3910 0.4656 0.3606 -0.1233 -0.0170 0.0519 193 TYR A CA 1126 C C . TYR A 165 ? 0.4037 0.4820 0.3814 -0.1387 -0.0324 0.0732 193 TYR A C 1127 O O . TYR A 165 ? 0.3943 0.4802 0.4034 -0.1335 -0.0352 0.0846 193 TYR A O 1128 C CB . TYR A 165 ? 0.3752 0.4538 0.3693 -0.1088 -0.0136 0.0534 193 TYR A CB 1129 C CG . TYR A 165 ? 0.3818 0.4624 0.3826 -0.1165 -0.0245 0.0683 193 TYR A CG 1130 C CD1 . TYR A 165 ? 0.3914 0.4674 0.3673 -0.1243 -0.0267 0.0634 193 TYR A CD1 1131 C CD2 . TYR A 165 ? 0.3796 0.4661 0.4150 -0.1174 -0.0326 0.0887 193 TYR A CD2 1132 C CE1 . TYR A 165 ? 0.3992 0.4761 0.3795 -0.1327 -0.0385 0.0783 193 TYR A CE1 1133 C CE2 . TYR A 165 ? 0.3864 0.4743 0.4319 -0.1255 -0.0446 0.1054 193 TYR A CE2 1134 C CZ . TYR A 165 ? 0.3965 0.4794 0.4117 -0.1332 -0.0485 0.1000 193 TYR A CZ 1135 O OH . TYR A 165 ? 0.4045 0.4881 0.4289 -0.1421 -0.0620 0.1177 193 TYR A OH 1136 N N . ASP A 166 ? 0.4271 0.4990 0.3780 -0.1591 -0.0424 0.0798 194 ASP A N 1137 C CA . ASP A 166 ? 0.4580 0.5312 0.4110 -0.1799 -0.0612 0.1028 194 ASP A CA 1138 C C . ASP A 166 ? 0.4571 0.5354 0.4222 -0.1807 -0.0626 0.1074 194 ASP A C 1139 O O . ASP A 166 ? 0.5151 0.6037 0.5168 -0.1817 -0.0734 0.1275 194 ASP A O 1140 C CB . ASP A 166 ? 0.5484 0.6300 0.5388 -0.1790 -0.0742 0.1255 194 ASP A CB 1141 C CG . ASP A 166 ? 0.7207 0.8017 0.7106 -0.2057 -0.0981 0.1529 194 ASP A CG 1142 O OD1 . ASP A 166 ? 0.6976 0.7662 0.6407 -0.2293 -0.1047 0.1512 194 ASP A OD1 1143 O OD2 . ASP A 166 ? 0.8587 0.9500 0.8959 -0.2051 -0.1096 0.1768 194 ASP A OD2 1144 N N . ASN A 167 ? 0.4617 0.5331 0.4014 -0.1791 -0.0504 0.0888 195 ASN A N 1145 C CA . ASN A 167 ? 0.4622 0.5364 0.4057 -0.1807 -0.0504 0.0899 195 ASN A CA 1146 C C . ASN A 167 ? 0.4769 0.5646 0.4658 -0.1603 -0.0468 0.0938 195 ASN A C 1147 O O . ASN A 167 ? 0.5117 0.6054 0.5145 -0.1629 -0.0513 0.1016 195 ASN A O 1148 C CB . ASN A 167 ? 0.6250 0.6969 0.5545 -0.2086 -0.0691 0.1097 195 ASN A CB 1149 C CG . ASN A 167 ? 0.8427 0.8949 0.7166 -0.2326 -0.0678 0.1014 195 ASN A CG 1150 O OD1 . ASN A 167 ? 0.8903 0.9310 0.7383 -0.2292 -0.0496 0.0792 195 ASN A OD1 1151 N ND2 . ASN A 167 ? 1.0130 1.0590 0.8693 -0.2585 -0.0860 0.1196 195 ASN A ND2 1152 N N . GLN A 168 ? 0.5226 0.6131 0.5328 -0.1413 -0.0374 0.0874 196 GLN A N 1153 C CA . GLN A 168 ? 0.4079 0.5043 0.4511 -0.1232 -0.0279 0.0849 196 GLN A CA 1154 C C . GLN A 168 ? 0.4035 0.4928 0.4322 -0.1078 -0.0123 0.0625 196 GLN A C 1155 O O . GLN A 168 ? 0.4306 0.5138 0.4387 -0.1075 -0.0091 0.0527 196 GLN A O 1156 C CB . GLN A 168 ? 0.4151 0.5178 0.5009 -0.1176 -0.0294 0.1002 196 GLN A CB 1157 C CG . GLN A 168 ? 0.6330 0.7429 0.7398 -0.1346 -0.0481 0.1269 196 GLN A CG 1158 C CD . GLN A 168 ? 0.8557 0.9718 1.0179 -0.1279 -0.0469 0.1441 196 GLN A CD 1159 O OE1 . GLN A 168 ? 0.8629 0.9746 1.0343 -0.1161 -0.0359 0.1375 196 GLN A OE1 1160 N NE2 . GLN A 168 ? 0.9852 1.1111 1.1881 -0.1361 -0.0573 0.1669 196 GLN A NE2 1161 N N . TRP A 169 ? 0.4601 0.5496 0.5008 -0.0966 -0.0039 0.0560 197 TRP A N 1162 C CA . TRP A 169 ? 0.3509 0.4327 0.3810 -0.0844 0.0078 0.0388 197 TRP A CA 1163 C C . TRP A 169 ? 0.4165 0.4953 0.4660 -0.0745 0.0161 0.0383 197 TRP A C 1164 O O . TRP A 169 ? 0.4599 0.5418 0.5380 -0.0721 0.0192 0.0474 197 TRP A O 1165 C CB . TRP A 169 ? 0.3472 0.4274 0.3745 -0.0804 0.0116 0.0321 197 TRP A CB 1166 C CG . TRP A 169 ? 0.3548 0.4322 0.3596 -0.0878 0.0095 0.0267 197 TRP A CG 1167 C CD1 . TRP A 169 ? 0.3622 0.4428 0.3627 -0.0976 0.0038 0.0330 197 TRP A CD1 1168 C CD2 . TRP A 169 ? 0.3584 0.4273 0.3435 -0.0876 0.0150 0.0141 197 TRP A CD2 1169 N NE1 . TRP A 169 ? 0.3725 0.4445 0.3485 -0.1037 0.0080 0.0231 197 TRP A NE1 1170 C CE2 . TRP A 169 ? 0.3693 0.4344 0.3393 -0.0970 0.0156 0.0118 197 TRP A CE2 1171 C CE3 . TRP A 169 ? 0.3546 0.4181 0.3362 -0.0814 0.0200 0.0053 197 TRP A CE3 1172 C CZ2 . TRP A 169 ? 0.3763 0.4315 0.3321 -0.0995 0.0240 0.0004 197 TRP A CZ2 1173 C CZ3 . TRP A 169 ? 0.3590 0.4156 0.3294 -0.0838 0.0251 -0.0039 197 TRP A CZ3 1174 C CH2 . TRP A 169 ? 0.3713 0.4233 0.3310 -0.0923 0.0285 -0.0066 197 TRP A CH2 1175 N N . PHE A 170 ? 0.3440 0.4155 0.3792 -0.0697 0.0214 0.0276 198 PHE A N 1176 C CA . PHE A 170 ? 0.3436 0.4076 0.3886 -0.0627 0.0313 0.0245 198 PHE A CA 1177 C C . PHE A 170 ? 0.3461 0.3989 0.3734 -0.0586 0.0378 0.0111 198 PHE A C 1178 O O . PHE A 170 ? 0.3456 0.3971 0.3545 -0.0598 0.0336 0.0040 198 PHE A O 1179 C CB . PHE A 170 ? 0.3441 0.4082 0.3877 -0.0632 0.0297 0.0262 198 PHE A CB 1180 C CG . PHE A 170 ? 0.3443 0.4169 0.4104 -0.0682 0.0225 0.0430 198 PHE A CG 1181 C CD1 . PHE A 170 ? 0.3483 0.4281 0.4046 -0.0786 0.0093 0.0506 198 PHE A CD1 1182 C CD2 . PHE A 170 ? 0.3556 0.4269 0.4543 -0.0647 0.0294 0.0525 198 PHE A CD2 1183 C CE1 . PHE A 170 ? 0.3883 0.4748 0.4648 -0.0869 -0.0012 0.0696 198 PHE A CE1 1184 C CE2 . PHE A 170 ? 0.3985 0.4780 0.5254 -0.0704 0.0205 0.0719 198 PHE A CE2 1185 C CZ . PHE A 170 ? 0.4152 0.5028 0.5299 -0.0822 0.0030 0.0815 198 PHE A CZ 1186 N N . HIS A 171 ? 0.3513 0.3945 0.3859 -0.0556 0.0482 0.0087 199 HIS A N 1187 C CA . HIS A 171 ? 0.3597 0.3887 0.3743 -0.0555 0.0528 -0.0019 199 HIS A CA 1188 C C . HIS A 171 ? 0.3712 0.3859 0.3731 -0.0570 0.0600 -0.0080 199 HIS A C 1189 O O . HIS A 171 ? 0.3854 0.3836 0.3688 -0.0608 0.0648 -0.0151 199 HIS A O 1190 C CB . HIS A 171 ? 0.3646 0.3874 0.3869 -0.0548 0.0603 -0.0024 199 HIS A CB 1191 C CG . HIS A 171 ? 0.3671 0.3889 0.4177 -0.0534 0.0727 0.0038 199 HIS A CG 1192 N ND1 . HIS A 171 ? 0.3562 0.3940 0.4379 -0.0525 0.0685 0.0164 199 HIS A ND1 1193 C CD2 . HIS A 171 ? 0.3810 0.3868 0.4370 -0.0542 0.0897 0.0002 199 HIS A CD2 1194 C CE1 . HIS A 171 ? 0.3604 0.3938 0.4723 -0.0515 0.0821 0.0219 199 HIS A CE1 1195 N NE2 . HIS A 171 ? 0.3760 0.3890 0.4726 -0.0520 0.0972 0.0110 199 HIS A NE2 1196 N N . GLY A 172 ? 0.3848 0.4036 0.3955 -0.0558 0.0612 -0.0043 200 GLY A N 1197 C CA . GLY A 172 ? 0.3808 0.3877 0.3779 -0.0576 0.0664 -0.0100 200 GLY A CA 1198 C C . GLY A 172 ? 0.3798 0.3975 0.3891 -0.0550 0.0625 -0.0040 200 GLY A C 1199 O O . GLY A 172 ? 0.3717 0.4048 0.3929 -0.0543 0.0531 0.0038 200 GLY A O 1200 N N . CYS A 173 ? 0.3801 0.3877 0.3837 -0.0555 0.0695 -0.0075 201 CYS A N 1201 C CA . CYS A 173 ? 0.3730 0.3889 0.3894 -0.0526 0.0669 -0.0016 201 CYS A CA 1202 C C . CYS A 173 ? 0.3925 0.4133 0.4445 -0.0497 0.0724 0.0108 201 CYS A C 1203 O O . CYS A 173 ? 0.4181 0.4315 0.4865 -0.0495 0.0841 0.0126 201 CYS A O 1204 C CB . CYS A 173 ? 0.3880 0.3899 0.3901 -0.0541 0.0746 -0.0085 201 CYS A CB 1205 S SG . CYS A 173 ? 0.5192 0.5182 0.4876 -0.0601 0.0632 -0.0177 201 CYS A SG 1206 N N . THR A 174 ? 0.3570 0.3898 0.4237 -0.0486 0.0635 0.0209 202 THR A N 1207 C CA . THR A 174 ? 0.3534 0.3935 0.4586 -0.0484 0.0627 0.0379 202 THR A CA 1208 C C . THR A 174 ? 0.3495 0.3945 0.4679 -0.0474 0.0572 0.0471 202 THR A C 1209 O O . THR A 174 ? 0.3461 0.3944 0.4406 -0.0476 0.0494 0.0410 202 THR A O 1210 C CB . THR A 174 ? 0.3473 0.4016 0.4557 -0.0536 0.0477 0.0470 202 THR A CB 1211 O OG1 . THR A 174 ? 0.3594 0.4208 0.5080 -0.0562 0.0436 0.0670 202 THR A OG1 1212 C CG2 . THR A 174 ? 0.3437 0.4066 0.4245 -0.0583 0.0322 0.0445 202 THR A CG2 1213 N N . SER A 175 ? 0.3499 0.3954 0.5108 -0.0464 0.0615 0.0632 203 SER A N 1214 C CA . SER A 175 ? 0.3459 0.3979 0.5253 -0.0469 0.0518 0.0773 203 SER A CA 1215 C C . SER A 175 ? 0.3428 0.4099 0.5339 -0.0562 0.0294 0.0968 203 SER A C 1216 O O . SER A 175 ? 0.3421 0.4147 0.5403 -0.0600 0.0166 0.1094 203 SER A O 1217 C CB . SER A 175 ? 0.3505 0.3917 0.5739 -0.0415 0.0697 0.0857 203 SER A CB 1218 O OG . SER A 175 ? 0.3506 0.3949 0.6246 -0.0437 0.0719 0.1046 203 SER A OG 1219 N N . THR A 176 ? 0.3436 0.4160 0.5320 -0.0619 0.0236 0.0993 204 THR A N 1220 C CA . THR A 176 ? 0.3474 0.4312 0.5376 -0.0750 0.0017 0.1166 204 THR A CA 1221 C C . THR A 176 ? 0.3508 0.4374 0.4998 -0.0828 -0.0128 0.1120 204 THR A C 1222 O O . THR A 176 ? 0.3497 0.4334 0.4603 -0.0802 -0.0083 0.0918 204 THR A O 1223 C CB . THR A 176 ? 0.3474 0.4342 0.5304 -0.0787 0.0010 0.1134 204 THR A CB 1224 O OG1 . THR A 176 ? 0.3692 0.4548 0.5990 -0.0741 0.0127 0.1226 204 THR A OG1 1225 C CG2 . THR A 176 ? 0.3628 0.4578 0.5302 -0.0955 -0.0212 0.1262 204 THR A CG2 1226 N N . GLY A 177 ? 0.3663 0.4573 0.5250 -0.0942 -0.0303 0.1320 205 GLY A N 1227 C CA . GLY A 177 ? 0.3712 0.4617 0.4915 -0.1034 -0.0419 0.1281 205 GLY A CA 1228 C C . GLY A 177 ? 0.3632 0.4522 0.4892 -0.0962 -0.0399 0.1278 205 GLY A C 1229 O O . GLY A 177 ? 0.4015 0.4899 0.4986 -0.1042 -0.0491 0.1254 205 GLY A O 1230 N N . ARG A 178 ? 0.3512 0.4378 0.5129 -0.0823 -0.0265 0.1293 206 ARG A N 1231 C CA . ARG A 178 ? 0.3457 0.4302 0.5177 -0.0746 -0.0232 0.1301 206 ARG A CA 1232 C C . ARG A 178 ? 0.3623 0.4451 0.5934 -0.0707 -0.0198 0.1521 206 ARG A C 1233 O O . ARG A 178 ? 0.3726 0.4544 0.6370 -0.0698 -0.0123 0.1599 206 ARG A O 1234 C CB . ARG A 178 ? 0.3379 0.4162 0.4899 -0.0610 -0.0044 0.1051 206 ARG A CB 1235 C CG . ARG A 178 ? 0.3374 0.4166 0.4435 -0.0628 -0.0041 0.0840 206 ARG A CG 1236 C CD . ARG A 178 ? 0.3311 0.4051 0.4228 -0.0523 0.0091 0.0652 206 ARG A CD 1237 N NE . ARG A 178 ? 0.3272 0.4024 0.4275 -0.0484 0.0067 0.0699 206 ARG A NE 1238 C CZ . ARG A 178 ? 0.3250 0.4064 0.4056 -0.0522 -0.0035 0.0674 206 ARG A CZ 1239 N NH1 . ARG A 178 ? 0.3284 0.4130 0.3802 -0.0605 -0.0095 0.0591 206 ARG A NH1 1240 N NH2 . ARG A 178 ? 0.3206 0.4034 0.4117 -0.0479 -0.0057 0.0725 206 ARG A NH2 1241 N N . GLU A 179 ? 0.3430 0.4257 0.5918 -0.0690 -0.0251 0.1636 207 GLU A N 1242 C CA . GLU A 179 ? 0.3537 0.4333 0.6658 -0.0642 -0.0193 0.1851 207 GLU A CA 1243 C C . GLU A 179 ? 0.3431 0.4117 0.6681 -0.0479 0.0063 0.1711 207 GLU A C 1244 O O . GLU A 179 ? 0.3609 0.4233 0.7409 -0.0428 0.0170 0.1865 207 GLU A O 1245 C CB . GLU A 179 ? 0.3771 0.4623 0.7099 -0.0759 -0.0448 0.2140 207 GLU A CB 1246 C CG . GLU A 179 ? 0.5434 0.6352 0.8473 -0.0972 -0.0716 0.2256 207 GLU A CG 1247 C CD . GLU A 179 ? 0.9383 1.0330 1.2613 -0.1036 -0.0718 0.2334 207 GLU A CD 1248 O OE1 . GLU A 179 ? 1.0646 1.1602 1.4518 -0.1019 -0.0686 0.2552 207 GLU A OE1 1249 O OE2 . GLU A 179 ? 1.0608 1.1568 1.3383 -0.1101 -0.0740 0.2180 207 GLU A OE2 1250 N N . ASP A 180 ? 0.3384 0.4032 0.6163 -0.0414 0.0161 0.1441 208 ASP A N 1251 C CA . ASP A 180 ? 0.3333 0.3867 0.6142 -0.0298 0.0365 0.1315 208 ASP A CA 1252 C C . ASP A 180 ? 0.3396 0.3774 0.6149 -0.0245 0.0638 0.1126 208 ASP A C 1253 O O . ASP A 180 ? 0.3447 0.3692 0.6100 -0.0183 0.0820 0.0985 208 ASP A O 1254 C CB . ASP A 180 ? 0.3263 0.3849 0.5632 -0.0282 0.0276 0.1174 208 ASP A CB 1255 C CG . ASP A 180 ? 0.3251 0.3887 0.5099 -0.0326 0.0223 0.0974 208 ASP A CG 1256 O OD1 . ASP A 180 ? 0.3289 0.3910 0.5056 -0.0359 0.0261 0.0920 208 ASP A OD1 1257 O OD2 . ASP A 180 ? 0.3199 0.3889 0.4748 -0.0323 0.0152 0.0873 208 ASP A OD2 1258 N N . GLY A 181 ? 0.4188 0.4565 0.6951 -0.0286 0.0666 0.1114 209 GLY A N 1259 C CA . GLY A 181 ? 0.4387 0.4596 0.7074 -0.0260 0.0919 0.0943 209 GLY A CA 1260 C C . GLY A 181 ? 0.4544 0.4714 0.6634 -0.0272 0.0929 0.0694 209 GLY A C 1261 O O . GLY A 181 ? 0.4510 0.4556 0.6471 -0.0288 0.1079 0.0571 209 GLY A O 1262 N N . HIS A 182 ? 0.4354 0.4624 0.6107 -0.0276 0.0771 0.0629 210 HIS A N 1263 C CA . HIS A 182 ? 0.3891 0.4122 0.5170 -0.0294 0.0779 0.0423 210 HIS A CA 1264 C C . HIS A 182 ? 0.3784 0.4072 0.4869 -0.0344 0.0701 0.0374 210 HIS A C 1265 O O . HIS A 182 ? 0.3653 0.4087 0.4755 -0.0377 0.0538 0.0459 210 HIS A O 1266 C CB . HIS A 182 ? 0.3425 0.3759 0.4495 -0.0284 0.0641 0.0387 210 HIS A CB 1267 C CG . HIS A 182 ? 0.3728 0.3996 0.4949 -0.0231 0.0722 0.0415 210 HIS A CG 1268 N ND1 . HIS A 182 ? 0.3376 0.3767 0.4691 -0.0204 0.0588 0.0510 210 HIS A ND1 1269 C CD2 . HIS A 182 ? 0.4084 0.4155 0.5375 -0.0208 0.0939 0.0361 210 HIS A CD2 1270 C CE1 . HIS A 182 ? 0.3599 0.3893 0.5059 -0.0150 0.0706 0.0517 210 HIS A CE1 1271 N NE2 . HIS A 182 ? 0.4127 0.4217 0.5570 -0.0155 0.0930 0.0423 210 HIS A NE2 1272 N N . LEU A 183 ? 0.3621 0.3772 0.4506 -0.0365 0.0823 0.0240 211 LEU A N 1273 C CA . LEU A 183 ? 0.3615 0.3803 0.4339 -0.0404 0.0764 0.0194 211 LEU A CA 1274 C C . LEU A 183 ? 0.3525 0.3826 0.3956 -0.0428 0.0602 0.0125 211 LEU A C 1275 O O . LEU A 183 ? 0.3523 0.3808 0.3787 -0.0429 0.0584 0.0054 211 LEU A O 1276 C CB . LEU A 183 ? 0.3797 0.3779 0.4385 -0.0434 0.0939 0.0081 211 LEU A CB 1277 C CG . LEU A 183 ? 0.3930 0.3753 0.4830 -0.0422 0.1167 0.0122 211 LEU A CG 1278 C CD1 . LEU A 183 ? 0.4197 0.3742 0.4830 -0.0488 0.1373 -0.0033 211 LEU A CD1 1279 C CD2 . LEU A 183 ? 0.3845 0.3779 0.5092 -0.0410 0.1139 0.0252 211 LEU A CD2 1280 N N . TRP A 184 ? 0.3462 0.3870 0.3859 -0.0456 0.0495 0.0150 212 TRP A N 1281 C CA . TRP A 184 ? 0.3393 0.3894 0.3587 -0.0486 0.0377 0.0094 212 TRP A CA 1282 C C . TRP A 184 ? 0.3404 0.3913 0.3507 -0.0520 0.0354 0.0059 212 TRP A C 1283 O O . TRP A 184 ? 0.3443 0.3919 0.3645 -0.0519 0.0399 0.0096 212 TRP A O 1284 C CB . TRP A 184 ? 0.3325 0.3948 0.3576 -0.0506 0.0267 0.0180 212 TRP A CB 1285 C CG . TRP A 184 ? 0.3347 0.4024 0.3711 -0.0557 0.0202 0.0299 212 TRP A CG 1286 C CD1 . TRP A 184 ? 0.3368 0.4047 0.4010 -0.0555 0.0204 0.0447 212 TRP A CD1 1287 C CD2 . TRP A 184 ? 0.3373 0.4098 0.3595 -0.0636 0.0124 0.0296 212 TRP A CD2 1288 N NE1 . TRP A 184 ? 0.3402 0.4144 0.4077 -0.0641 0.0100 0.0553 212 TRP A NE1 1289 C CE2 . TRP A 184 ? 0.3421 0.4180 0.3802 -0.0695 0.0057 0.0451 212 TRP A CE2 1290 C CE3 . TRP A 184 ? 0.3378 0.4110 0.3381 -0.0675 0.0113 0.0186 212 TRP A CE3 1291 C CZ2 . TRP A 184 ? 0.3499 0.4284 0.3752 -0.0806 -0.0026 0.0488 212 TRP A CZ2 1292 C CZ3 . TRP A 184 ? 0.3454 0.4198 0.3352 -0.0770 0.0066 0.0208 212 TRP A CZ3 1293 C CH2 . TRP A 184 ? 0.3525 0.4291 0.3513 -0.0841 -0.0008 0.0353 212 TRP A CH2 1294 N N . CYS A 185 ? 0.3368 0.3918 0.3321 -0.0548 0.0293 -0.0009 213 CYS A N 1295 C CA . CYS A 185 ? 0.3374 0.3934 0.3268 -0.0579 0.0273 -0.0035 213 CYS A CA 1296 C C . CYS A 185 ? 0.3341 0.3970 0.3166 -0.0624 0.0220 -0.0063 213 CYS A C 1297 O O . CYS A 185 ? 0.3304 0.3965 0.3114 -0.0626 0.0204 -0.0090 213 CYS A O 1298 C CB . CYS A 185 ? 0.3425 0.3885 0.3229 -0.0580 0.0306 -0.0106 213 CYS A CB 1299 S SG . CYS A 185 ? 0.3411 0.3856 0.3133 -0.0600 0.0266 -0.0166 213 CYS A SG 1300 N N . ALA A 186 ? 0.3371 0.4009 0.3161 -0.0668 0.0212 -0.0064 214 ALA A N 1301 C CA . ALA A 186 ? 0.3389 0.4037 0.3109 -0.0724 0.0218 -0.0120 214 ALA A CA 1302 C C . ALA A 186 ? 0.3347 0.3963 0.3115 -0.0702 0.0244 -0.0192 214 ALA A C 1303 O O . ALA A 186 ? 0.3342 0.3913 0.3130 -0.0669 0.0237 -0.0192 214 ALA A O 1304 C CB . ALA A 186 ? 0.3479 0.4115 0.3124 -0.0801 0.0219 -0.0100 214 ALA A CB 1305 N N . THR A 187 ? 0.3336 0.3964 0.3140 -0.0734 0.0271 -0.0240 215 THR A N 1306 C CA . THR A 187 ? 0.3297 0.3903 0.3237 -0.0730 0.0283 -0.0272 215 THR A CA 1307 C C . THR A 187 ? 0.3364 0.3927 0.3371 -0.0776 0.0359 -0.0309 215 THR A C 1308 O O . THR A 187 ? 0.3509 0.4055 0.3714 -0.0782 0.0382 -0.0320 215 THR A O 1309 C CB . THR A 187 ? 0.3230 0.3882 0.3276 -0.0727 0.0267 -0.0284 215 THR A CB 1310 O OG1 . THR A 187 ? 0.3327 0.4005 0.3364 -0.0768 0.0330 -0.0321 215 THR A OG1 1311 C CG2 . THR A 187 ? 0.3206 0.3872 0.3173 -0.0685 0.0207 -0.0251 215 THR A CG2 1312 N N . THR A 188 ? 0.3441 0.3977 0.3309 -0.0823 0.0402 -0.0319 216 THR A N 1313 C CA . THR A 188 ? 0.3770 0.4236 0.3642 -0.0865 0.0475 -0.0347 216 THR A CA 1314 C C . THR A 188 ? 0.4195 0.4669 0.3933 -0.0859 0.0420 -0.0297 216 THR A C 1315 O O . THR A 188 ? 0.4021 0.4547 0.3705 -0.0829 0.0344 -0.0239 216 THR A O 1316 C CB . THR A 188 ? 0.4699 0.5089 0.4486 -0.0976 0.0603 -0.0415 216 THR A CB 1317 O OG1 . THR A 188 ? 0.5373 0.5759 0.4895 -0.1054 0.0562 -0.0385 216 THR A OG1 1318 C CG2 . THR A 188 ? 0.4009 0.4404 0.3943 -0.0988 0.0672 -0.0463 216 THR A CG2 1319 N N . GLN A 189 ? 0.4581 0.5001 0.4301 -0.0894 0.0469 -0.0312 217 GLN A N 1320 C CA . GLN A 189 ? 0.4791 0.5234 0.4430 -0.0888 0.0411 -0.0255 217 GLN A CA 1321 C C . GLN A 189 ? 0.4199 0.4641 0.3646 -0.1000 0.0390 -0.0215 217 GLN A C 1322 O O . GLN A 189 ? 0.4954 0.5439 0.4383 -0.1007 0.0317 -0.0134 217 GLN A O 1323 C CB . GLN A 189 ? 0.4378 0.4772 0.4089 -0.0871 0.0449 -0.0272 217 GLN A CB 1324 C CG . GLN A 189 ? 0.5099 0.5393 0.4794 -0.0954 0.0578 -0.0341 217 GLN A CG 1325 C CD . GLN A 189 ? 0.5786 0.6031 0.5642 -0.0910 0.0618 -0.0349 217 GLN A CD 1326 O OE1 . GLN A 189 ? 0.6288 0.6577 0.6205 -0.0832 0.0530 -0.0298 217 GLN A OE1 1327 N NE2 . GLN A 189 ? 0.5738 0.5873 0.5674 -0.0965 0.0764 -0.0412 217 GLN A NE2 1328 N N . ASP A 190 ? 0.3913 0.4296 0.3224 -0.1106 0.0444 -0.0257 218 ASP A N 1329 C CA . ASP A 190 ? 0.4096 0.4455 0.3180 -0.1251 0.0391 -0.0195 218 ASP A CA 1330 C C . ASP A 190 ? 0.4123 0.4491 0.3146 -0.1286 0.0369 -0.0189 218 ASP A C 1331 O O . ASP A 190 ? 0.4245 0.4521 0.3167 -0.1366 0.0476 -0.0280 218 ASP A O 1332 C CB . ASP A 190 ? 0.4824 0.5036 0.3685 -0.1415 0.0492 -0.0255 218 ASP A CB 1333 C CG . ASP A 190 ? 0.6785 0.6945 0.5358 -0.1614 0.0406 -0.0168 218 ASP A CG 1334 O OD1 . ASP A 190 ? 0.7450 0.7717 0.6076 -0.1605 0.0244 -0.0029 218 ASP A OD1 1335 O OD2 . ASP A 190 ? 0.8619 0.8611 0.6919 -0.1797 0.0505 -0.0232 218 ASP A OD2 1336 N N . TYR A 191 ? 0.4038 0.4502 0.3128 -0.1245 0.0242 -0.0076 219 TYR A N 1337 C CA . TYR A 191 ? 0.4059 0.4538 0.3104 -0.1275 0.0201 -0.0048 219 TYR A CA 1338 C C . TYR A 191 ? 0.4550 0.4920 0.3292 -0.1495 0.0184 -0.0024 219 TYR A C 1339 O O . TYR A 191 ? 0.5626 0.5942 0.4254 -0.1557 0.0229 -0.0078 219 TYR A O 1340 C CB . TYR A 191 ? 0.3918 0.4505 0.3151 -0.1182 0.0085 0.0082 219 TYR A CB 1341 C CG . TYR A 191 ? 0.3929 0.4537 0.3149 -0.1204 0.0028 0.0133 219 TYR A CG 1342 C CD1 . TYR A 191 ? 0.3792 0.4431 0.3098 -0.1098 0.0081 0.0051 219 TYR A CD1 1343 C CD2 . TYR A 191 ? 0.4168 0.4765 0.3302 -0.1343 -0.0095 0.0279 219 TYR A CD2 1344 C CE1 . TYR A 191 ? 0.3793 0.4456 0.3094 -0.1111 0.0031 0.0095 219 TYR A CE1 1345 C CE2 . TYR A 191 ? 0.4255 0.4866 0.3389 -0.1363 -0.0158 0.0339 219 TYR A CE2 1346 C CZ . TYR A 191 ? 0.3943 0.4590 0.3158 -0.1237 -0.0085 0.0237 219 TYR A CZ 1347 O OH . TYR A 191 ? 0.3947 0.4613 0.3170 -0.1250 -0.0147 0.0295 219 TYR A OH 1348 N N . GLY A 192 ? 0.4533 0.4854 0.3122 -0.1635 0.0121 0.0056 220 GLY A N 1349 C CA . GLY A 192 ? 0.4889 0.5067 0.3116 -0.1898 0.0083 0.0098 220 GLY A CA 1350 C C . GLY A 192 ? 0.5166 0.5161 0.3141 -0.2011 0.0284 -0.0086 220 GLY A C 1351 O O . GLY A 192 ? 0.5654 0.5537 0.3388 -0.2164 0.0304 -0.0107 220 GLY A O 1352 N N . LYS A 193 ? 0.5182 0.5133 0.3242 -0.1941 0.0449 -0.0218 221 LYS A N 1353 C CA . LYS A 193 ? 0.5542 0.5324 0.3511 -0.2007 0.0686 -0.0398 221 LYS A CA 1354 C C . LYS A 193 ? 0.5843 0.5691 0.4007 -0.1894 0.0739 -0.0458 221 LYS A C 1355 O O . LYS A 193 ? 0.7798 0.7525 0.5755 -0.2036 0.0814 -0.0513 221 LYS A O 1356 C CB . LYS A 193 ? 0.6341 0.6093 0.4495 -0.1915 0.0833 -0.0490 221 LYS A CB 1357 C CG . LYS A 193 ? 0.8089 0.7624 0.6183 -0.2021 0.1114 -0.0661 221 LYS A CG 1358 C CD . LYS A 193 ? 0.9157 0.8660 0.7466 -0.1937 0.1233 -0.0714 221 LYS A CD 1359 C CE . LYS A 193 ? 1.1371 1.0682 0.9812 -0.1986 0.1539 -0.0873 221 LYS A CE 1360 N NZ . LYS A 193 ? 1.1388 1.0834 1.0306 -0.1796 0.1566 -0.0886 221 LYS A NZ 1361 N N . ASP A 194 ? 0.6012 0.6035 0.4555 -0.1657 0.0702 -0.0449 222 ASP A N 1362 C CA . ASP A 194 ? 0.4942 0.5028 0.3735 -0.1542 0.0770 -0.0515 222 ASP A CA 1363 C C . ASP A 194 ? 0.4485 0.4689 0.3297 -0.1489 0.0634 -0.0440 222 ASP A C 1364 O O . ASP A 194 ? 0.4481 0.4685 0.3366 -0.1483 0.0705 -0.0503 222 ASP A O 1365 C CB . ASP A 194 ? 0.4432 0.4617 0.3586 -0.1356 0.0779 -0.0524 222 ASP A CB 1366 C CG . ASP A 194 ? 0.5536 0.5601 0.4758 -0.1394 0.0939 -0.0601 222 ASP A CG 1367 O OD1 . ASP A 194 ? 0.6602 0.6513 0.5793 -0.1508 0.1138 -0.0706 222 ASP A OD1 1368 O OD2 . ASP A 194 ? 0.4637 0.4744 0.3954 -0.1315 0.0881 -0.0558 222 ASP A OD2 1369 N N . GLU A 195 ? 0.4741 0.5050 0.3555 -0.1434 0.0452 -0.0305 223 GLU A N 1370 C CA . GLU A 195 ? 0.4357 0.4768 0.3229 -0.1376 0.0328 -0.0219 223 GLU A CA 1371 C C . GLU A 195 ? 0.3901 0.4420 0.3047 -0.1203 0.0352 -0.0266 223 GLU A C 1372 O O . GLU A 195 ? 0.3840 0.4411 0.3020 -0.1177 0.0314 -0.0250 223 GLU A O 1373 C CB . GLU A 195 ? 0.4919 0.5235 0.3523 -0.1555 0.0316 -0.0206 223 GLU A CB 1374 C CG . GLU A 195 ? 0.6889 0.7147 0.5260 -0.1721 0.0170 -0.0058 223 GLU A CG 1375 C CD . GLU A 195 ? 0.9375 0.9459 0.7360 -0.1979 0.0176 -0.0060 223 GLU A CD 1376 O OE1 . GLU A 195 ? 0.9335 0.9425 0.7298 -0.1988 0.0163 -0.0065 223 GLU A OE1 1377 O OE2 . GLU A 195 ? 1.1135 1.1060 0.8814 -0.2188 0.0195 -0.0059 223 GLU A OE2 1378 N N . ARG A 196 ? 0.4039 0.4587 0.3374 -0.1100 0.0398 -0.0311 224 ARG A N 1379 C CA . ARG A 196 ? 0.3605 0.4239 0.3179 -0.0970 0.0390 -0.0331 224 ARG A CA 1380 C C . ARG A 196 ? 0.3435 0.4123 0.3074 -0.0866 0.0294 -0.0255 224 ARG A C 1381 O O . ARG A 196 ? 0.3461 0.4122 0.3080 -0.0860 0.0285 -0.0232 224 ARG A O 1382 C CB . ARG A 196 ? 0.4069 0.4667 0.3826 -0.0963 0.0498 -0.0411 224 ARG A CB 1383 C CG . ARG A 196 ? 0.4246 0.4756 0.4005 -0.1071 0.0658 -0.0506 224 ARG A CG 1384 C CD . ARG A 196 ? 0.3921 0.4499 0.3801 -0.1052 0.0665 -0.0526 224 ARG A CD 1385 N NE . ARG A 196 ? 0.7169 0.7641 0.6981 -0.1178 0.0828 -0.0617 224 ARG A NE 1386 C CZ . ARG A 196 ? 0.7530 0.8038 0.7411 -0.1190 0.0862 -0.0648 224 ARG A CZ 1387 N NH1 . ARG A 196 ? 0.5858 0.6519 0.5885 -0.1076 0.0730 -0.0588 224 ARG A NH1 1388 N NH2 . ARG A 196 ? 0.7232 0.7604 0.7021 -0.1328 0.1042 -0.0745 224 ARG A NH2 1389 N N . TRP A 197 ? 0.3328 0.4077 0.3041 -0.0792 0.0240 -0.0224 225 TRP A N 1390 C CA . TRP A 197 ? 0.3278 0.4037 0.3027 -0.0718 0.0189 -0.0160 225 TRP A CA 1391 C C . TRP A 197 ? 0.3182 0.3971 0.3014 -0.0652 0.0174 -0.0172 225 TRP A C 1392 O O . TRP A 197 ? 0.3130 0.3960 0.3016 -0.0660 0.0180 -0.0215 225 TRP A O 1393 C CB . TRP A 197 ? 0.3338 0.4105 0.3049 -0.0742 0.0137 -0.0057 225 TRP A CB 1394 C CG . TRP A 197 ? 0.3331 0.4135 0.3035 -0.0756 0.0098 -0.0024 225 TRP A CG 1395 C CD1 . TRP A 197 ? 0.3412 0.4209 0.2998 -0.0848 0.0101 -0.0053 225 TRP A CD1 1396 C CD2 . TRP A 197 ? 0.3259 0.4095 0.3073 -0.0682 0.0066 0.0038 225 TRP A CD2 1397 N NE1 . TRP A 197 ? 0.3380 0.4217 0.2993 -0.0833 0.0050 -0.0003 225 TRP A NE1 1398 C CE2 . TRP A 197 ? 0.3274 0.4142 0.3043 -0.0724 0.0026 0.0057 225 TRP A CE2 1399 C CE3 . TRP A 197 ? 0.3213 0.4027 0.3152 -0.0597 0.0089 0.0075 225 TRP A CE3 1400 C CZ2 . TRP A 197 ? 0.3211 0.4115 0.3085 -0.0666 -0.0014 0.0124 225 TRP A CZ2 1401 C CZ3 . TRP A 197 ? 0.3171 0.4001 0.3215 -0.0545 0.0077 0.0131 225 TRP A CZ3 1402 C CH2 . TRP A 197 ? 0.3154 0.4040 0.3178 -0.0572 0.0014 0.0162 225 TRP A CH2 1403 N N . GLY A 198 ? 0.3181 0.3936 0.3027 -0.0600 0.0168 -0.0135 226 GLY A N 1404 C CA . GLY A 198 ? 0.3149 0.3891 0.3020 -0.0557 0.0166 -0.0140 226 GLY A CA 1405 C C . GLY A 198 ? 0.3217 0.3873 0.3092 -0.0523 0.0212 -0.0100 226 GLY A C 1406 O O . GLY A 198 ? 0.3266 0.3887 0.3157 -0.0528 0.0237 -0.0068 226 GLY A O 1407 N N . PHE A 199 ? 0.3231 0.3843 0.3112 -0.0495 0.0239 -0.0101 227 PHE A N 1408 C CA . PHE A 199 ? 0.3337 0.3822 0.3239 -0.0474 0.0336 -0.0081 227 PHE A CA 1409 C C . PHE A 199 ? 0.3476 0.3814 0.3219 -0.0525 0.0386 -0.0148 227 PHE A C 1410 O O . PHE A 199 ? 0.3489 0.3820 0.3117 -0.0577 0.0322 -0.0191 227 PHE A O 1411 C CB . PHE A 199 ? 0.3341 0.3797 0.3301 -0.0436 0.0377 -0.0063 227 PHE A CB 1412 C CG . PHE A 199 ? 0.3236 0.3809 0.3364 -0.0394 0.0323 0.0029 227 PHE A CG 1413 C CD1 . PHE A 199 ? 0.3255 0.3825 0.3575 -0.0378 0.0343 0.0139 227 PHE A CD1 1414 C CD2 . PHE A 199 ? 0.3132 0.3816 0.3246 -0.0387 0.0240 0.0022 227 PHE A CD2 1415 C CE1 . PHE A 199 ? 0.3195 0.3855 0.3659 -0.0371 0.0261 0.0252 227 PHE A CE1 1416 C CE2 . PHE A 199 ? 0.3073 0.3839 0.3302 -0.0370 0.0180 0.0111 227 PHE A CE2 1417 C CZ . PHE A 199 ? 0.3114 0.3864 0.3504 -0.0370 0.0178 0.0234 227 PHE A CZ 1418 N N . CYS A 200 ? 0.1792 0.3364 0.1656 -0.0319 0.0616 0.0641 228 CYS A N 1419 C CA . CYS A 200 ? 0.2236 0.3450 0.1742 -0.0451 0.0609 0.0659 228 CYS A CA 1420 C C . CYS A 200 ? 0.2541 0.3344 0.1743 -0.0418 0.0672 0.0620 228 CYS A C 1421 O O . CYS A 200 ? 0.3271 0.4044 0.2474 -0.0291 0.0833 0.0661 228 CYS A O 1422 C CB . CYS A 200 ? 0.2664 0.3615 0.2001 -0.0462 0.0700 0.0735 228 CYS A CB 1423 S SG . CYS A 200 ? 0.4237 0.5646 0.3924 -0.0493 0.0633 0.0784 228 CYS A SG 1424 N N . PRO A 201 ? 0.2700 0.3186 0.1638 -0.0530 0.0550 0.0551 229 PRO A N 1425 C CA . PRO A 201 ? 0.3068 0.3120 0.1661 -0.0498 0.0611 0.0515 229 PRO A CA 1426 C C . PRO A 201 ? 0.4792 0.4379 0.3055 -0.0420 0.0812 0.0571 229 PRO A C 1427 O O . PRO A 201 ? 0.6950 0.6340 0.5079 -0.0462 0.0835 0.0606 229 PRO A O 1428 C CB . PRO A 201 ? 0.3399 0.3215 0.1763 -0.0654 0.0406 0.0441 229 PRO A CB 1429 C CG . PRO A 201 ? 0.3408 0.3321 0.1862 -0.0774 0.0309 0.0469 229 PRO A CG 1430 C CD . PRO A 201 ? 0.2811 0.3283 0.1720 -0.0695 0.0359 0.0520 229 PRO A CD 1431 N N . ILE A 202 ? 0.4069 0.3460 0.2191 -0.0301 0.0972 0.0585 230 ILE A N 1432 C CA . ILE A 202 ? 0.6113 0.5077 0.3988 -0.0194 0.1127 0.0613 230 ILE A CA 1433 C C . ILE A 202 ? 0.6651 0.5144 0.4155 -0.0183 0.1141 0.0548 230 ILE A C 1434 O O . ILE A 202 ? 0.7028 0.5649 0.4602 -0.0181 0.1102 0.0516 230 ILE A O 1435 C CB . ILE A 202 ? 0.7976 0.7266 0.6228 -0.0026 0.1249 0.0675 230 ILE A CB 1436 C CG1 . ILE A 202 ? 0.7417 0.7149 0.6026 0.0005 0.1217 0.0659 230 ILE A CG1 1437 C CG2 . ILE A 202 ? 0.8316 0.7883 0.6799 -0.0025 0.1245 0.0735 230 ILE A CG2 1438 C CD1 . ILE A 202 ? 0.8864 0.8787 0.7757 0.0141 0.1308 0.0700 230 ILE A CD1 1439 N N . LYS A 203 ? 0.5939 0.3860 0.3025 -0.0182 0.1194 0.0523 231 LYS A N 1440 C CA . LYS A 203 ? 0.7844 0.5262 0.4542 -0.0150 0.1230 0.0459 231 LYS A CA 1441 C C . LYS A 203 ? 0.8417 0.5819 0.5250 0.0056 0.1437 0.0503 231 LYS A C 1442 O O . LYS A 203 ? 0.9077 0.6356 0.5905 0.0152 0.1563 0.0547 231 LYS A O 1443 C CB . LYS A 203 ? 0.8838 0.5604 0.4973 -0.0263 0.1176 0.0395 231 LYS A CB 1444 C CG . LYS A 203 ? 0.9397 0.6150 0.5372 -0.0500 0.0928 0.0354 231 LYS A CG 1445 C CD . LYS A 203 ? 1.1095 0.7193 0.6503 -0.0645 0.0843 0.0291 231 LYS A CD 1446 C CE . LYS A 203 ? 1.1393 0.7579 0.6726 -0.0907 0.0560 0.0275 231 LYS A CE 1447 N NZ . LYS A 203 ? 1.3349 0.8911 0.8104 -0.1080 0.0403 0.0196 231 LYS A NZ 1448 N N . SER A 204 ? 0.8618 0.6138 0.5573 0.0121 0.1470 0.0499 232 SER A N 1449 C CA . SER A 204 ? 0.9912 0.7421 0.7003 0.0301 0.1652 0.0552 232 SER A CA 1450 C C . SER A 204 ? 0.9973 0.7345 0.6959 0.0322 0.1668 0.0519 232 SER A C 1451 O O . SER A 204 ? 1.0224 0.7650 0.7148 0.0210 0.1532 0.0467 232 SER A O 1452 C CB . SER A 204 ? 0.8708 0.6829 0.6356 0.0372 0.1681 0.0639 232 SER A CB 1453 O OG . SER A 204 ? 0.8747 0.7338 0.6708 0.0296 0.1566 0.0628 232 SER A OG 1454 N N . ASN A 205 ? 0.9678 0.6856 0.6636 0.0474 0.1841 0.0559 233 ASN A N 1455 C CA . ASN A 205 ? 1.1297 0.8319 0.8157 0.0513 0.1890 0.0545 233 ASN A CA 1456 C C . ASN A 205 ? 1.1124 0.8683 0.8484 0.0558 0.1917 0.0616 233 ASN A C 1457 O O . ASN A 205 ? 1.1985 0.9448 0.9320 0.0607 0.1987 0.0627 233 ASN A O 1458 C CB . ASN A 205 ? 1.3529 0.9953 1.0004 0.0648 0.2071 0.0546 233 ASN A CB 1459 C CG . ASN A 205 ? 1.5419 1.1950 1.2136 0.0822 0.2252 0.0652 233 ASN A CG 1460 O OD1 . ASN A 205 ? 1.4338 1.1263 1.1390 0.0827 0.2226 0.0707 233 ASN A OD1 1461 N ND2 . ASN A 205 ? 1.7757 1.3934 1.4304 0.0973 0.2436 0.0692 233 ASN A ND2 1462 N N . ASP A 206 ? 1.1910 1.0004 0.9705 0.0538 0.1863 0.0664 234 ASP A N 1463 C CA . ASP A 206 ? 1.1935 1.0524 1.0183 0.0552 0.1860 0.0718 234 ASP A CA 1464 C C . ASP A 206 ? 0.8864 0.7834 0.7304 0.0407 0.1690 0.0665 234 ASP A C 1465 O O . ASP A 206 ? 0.6357 0.5370 0.4720 0.0312 0.1573 0.0618 234 ASP A O 1466 C CB . ASP A 206 ? 1.3978 1.2882 1.2569 0.0640 0.1915 0.0809 234 ASP A CB 1467 C CG . ASP A 206 ? 1.6223 1.4992 1.4686 0.0660 0.1918 0.0813 234 ASP A CG 1468 O OD1 . ASP A 206 ? 1.5943 1.4924 1.4471 0.0547 0.1782 0.0771 234 ASP A OD1 1469 O OD2 . ASP A 206 ? 1.8013 1.6452 1.6305 0.0793 0.2065 0.0864 234 ASP A OD2 1470 N N . CYS A 207 ? 0.9172 0.8368 0.7826 0.0391 0.1689 0.0675 235 CYS A N 1471 C CA . CYS A 207 ? 0.6731 0.6240 0.5552 0.0272 0.1556 0.0625 235 CYS A CA 1472 C C . CYS A 207 ? 0.7145 0.7197 0.6433 0.0236 0.1498 0.0642 235 CYS A C 1473 O O . CYS A 207 ? 0.8125 0.8413 0.7570 0.0152 0.1420 0.0601 235 CYS A O 1474 C CB . CYS A 207 ? 0.6951 0.6235 0.5596 0.0261 0.1585 0.0603 235 CYS A CB 1475 S SG . CYS A 207 ? 0.8769 0.7399 0.6813 0.0270 0.1588 0.0548 235 CYS A SG 1476 N N . GLU A 208 ? 0.6104 0.6318 0.5592 0.0302 0.1536 0.0699 236 GLU A N 1477 C CA . GLU A 208 ? 0.7559 0.8211 0.7444 0.0274 0.1482 0.0711 236 GLU A CA 1478 C C . GLU A 208 ? 0.5989 0.6936 0.6037 0.0167 0.1325 0.0632 236 GLU A C 1479 O O . GLU A 208 ? 0.6849 0.8029 0.7102 0.0095 0.1255 0.0584 236 GLU A O 1480 C CB . GLU A 208 ? 1.0955 1.1671 1.0979 0.0387 0.1560 0.0807 236 GLU A CB 1481 C CG . GLU A 208 ? 1.2775 1.3446 1.2734 0.0430 0.1546 0.0824 236 GLU A CG 1482 C CD . GLU A 208 ? 1.4026 1.4225 1.3598 0.0491 0.1642 0.0830 236 GLU A CD 1483 O OE1 . GLU A 208 ? 1.5351 1.5332 1.4837 0.0624 0.1776 0.0910 236 GLU A OE1 1484 O OE2 . GLU A 208 ? 1.3501 1.3523 1.2836 0.0408 0.1584 0.0756 236 GLU A OE2 1485 N N . THR A 209 ? 0.6652 0.7568 0.6612 0.0161 0.1277 0.0617 237 THR A N 1486 C CA . THR A 209 ? 0.4934 0.6095 0.5052 0.0085 0.1140 0.0552 237 THR A CA 1487 C C . THR A 209 ? 0.3807 0.4831 0.3702 0.0018 0.1092 0.0504 237 THR A C 1488 O O . THR A 209 ? 0.4224 0.4951 0.3808 0.0030 0.1145 0.0529 237 THR A O 1489 C CB . THR A 209 ? 0.5739 0.7034 0.5982 0.0130 0.1108 0.0587 237 THR A CB 1490 O OG1 . THR A 209 ? 0.7910 0.8981 0.7910 0.0149 0.1152 0.0613 237 THR A OG1 1491 C CG2 . THR A 209 ? 0.5451 0.6840 0.5852 0.0216 0.1172 0.0667 237 THR A CG2 1492 N N . PHE A 210 ? 0.2640 0.3859 0.2684 -0.0040 0.0980 0.0447 238 PHE A N 1493 C CA . PHE A 210 ? 0.2458 0.3641 0.2348 -0.0093 0.0906 0.0419 238 PHE A CA 1494 C C . PHE A 210 ? 0.2846 0.3729 0.2406 -0.0111 0.0976 0.0423 238 PHE A C 1495 O O . PHE A 210 ? 0.3868 0.4630 0.3169 -0.0152 0.0916 0.0418 238 PHE A O 1496 C CB . PHE A 210 ? 0.3138 0.4282 0.2902 -0.0107 0.0870 0.0441 238 PHE A CB 1497 C CG . PHE A 210 ? 0.3659 0.5029 0.3679 -0.0076 0.0816 0.0451 238 PHE A CG 1498 C CD1 . PHE A 210 ? 0.1743 0.3410 0.2019 -0.0089 0.0668 0.0409 238 PHE A CD1 1499 C CD2 . PHE A 210 ? 0.5668 0.6910 0.5614 -0.0030 0.0906 0.0502 238 PHE A CD2 1500 C CE1 . PHE A 210 ? 0.2158 0.3962 0.2578 -0.0057 0.0614 0.0423 238 PHE A CE1 1501 C CE2 . PHE A 210 ? 0.5436 0.6871 0.5580 0.0004 0.0855 0.0522 238 PHE A CE2 1502 C CZ . PHE A 210 ? 0.3967 0.5675 0.4337 -0.0010 0.0709 0.0484 238 PHE A CZ 1503 N N . TRP A 211 ? 0.2926 0.3706 0.2484 -0.0082 0.1069 0.0437 239 TRP A N 1504 C CA . TRP A 211 ? 0.3691 0.4136 0.2939 -0.0069 0.1125 0.0447 239 TRP A CA 1505 C C . TRP A 211 ? 0.4193 0.4748 0.3633 -0.0066 0.1175 0.0452 239 TRP A C 1506 O O . TRP A 211 ? 0.3729 0.4543 0.3480 -0.0064 0.1186 0.0459 239 TRP A O 1507 C CB . TRP A 211 ? 0.5025 0.5034 0.3948 0.0001 0.1213 0.0483 239 TRP A CB 1508 C CG . TRP A 211 ? 0.5238 0.5024 0.3875 -0.0030 0.1155 0.0466 239 TRP A CG 1509 C CD1 . TRP A 211 ? 0.5229 0.5091 0.3927 -0.0022 0.1155 0.0491 239 TRP A CD1 1510 C CD2 . TRP A 211 ? 0.4420 0.3854 0.2651 -0.0098 0.1064 0.0415 239 TRP A CD2 1511 N NE1 . TRP A 211 ? 0.5416 0.4996 0.3777 -0.0086 0.1082 0.0464 239 TRP A NE1 1512 C CE2 . TRP A 211 ? 0.4813 0.4125 0.2877 -0.0144 0.1006 0.0410 239 TRP A CE2 1513 C CE3 . TRP A 211 ? 0.4182 0.3377 0.2159 -0.0135 0.1003 0.0369 239 TRP A CE3 1514 C CZ2 . TRP A 211 ? 0.4804 0.3805 0.2506 -0.0247 0.0850 0.0351 239 TRP A CZ2 1515 C CZ3 . TRP A 211 ? 0.4224 0.3118 0.1837 -0.0218 0.0845 0.0314 239 TRP A CZ3 1516 C CH2 . TRP A 211 ? 0.5592 0.4418 0.3106 -0.0281 0.0750 0.0301 239 TRP A CH2 1517 N N . ASP A 212 ? 0.3779 0.4088 0.2997 -0.0071 0.1198 0.0443 240 ASP A N 1518 C CA . ASP A 212 ? 0.4233 0.4521 0.3539 -0.0062 0.1276 0.0466 240 ASP A CA 1519 C C . ASP A 212 ? 0.6025 0.5813 0.4948 0.0001 0.1365 0.0487 240 ASP A C 1520 O O . ASP A 212 ? 0.6789 0.6235 0.5336 -0.0003 0.1317 0.0451 240 ASP A O 1521 C CB . ASP A 212 ? 0.3853 0.4298 0.3266 -0.0131 0.1224 0.0425 240 ASP A CB 1522 C CG . ASP A 212 ? 0.3954 0.4867 0.3768 -0.0190 0.1137 0.0386 240 ASP A CG 1523 O OD1 . ASP A 212 ? 0.5321 0.6419 0.5398 -0.0194 0.1154 0.0391 240 ASP A OD1 1524 O OD2 . ASP A 212 ? 0.4785 0.5867 0.4641 -0.0220 0.1021 0.0343 240 ASP A OD2 1525 N N . LYS A 213 ? 0.5368 0.5103 0.4373 0.0054 0.1483 0.0540 241 LYS A N 1526 C CA . LYS A 213 ? 0.6654 0.5916 0.5318 0.0131 0.1590 0.0561 241 LYS A CA 1527 C C . LYS A 213 ? 0.6945 0.6098 0.5573 0.0115 0.1642 0.0569 241 LYS A C 1528 O O . LYS A 213 ? 0.6688 0.6131 0.5643 0.0088 0.1684 0.0607 241 LYS A O 1529 C CB . LYS A 213 ? 0.8237 0.7460 0.6979 0.0232 0.1718 0.0629 241 LYS A CB 1530 C CG . LYS A 213 ? 1.0189 0.8881 0.8544 0.0329 0.1843 0.0643 241 LYS A CG 1531 C CD . LYS A 213 ? 1.1559 1.0198 0.9986 0.0450 0.1988 0.0719 241 LYS A CD 1532 C CE . LYS A 213 ? 1.3369 1.1433 1.1366 0.0555 0.2118 0.0720 241 LYS A CE 1533 N NZ . LYS A 213 ? 1.4047 1.2005 1.2071 0.0693 0.2275 0.0797 241 LYS A NZ 1534 N N . ASP A 214 ? 0.6032 0.4755 0.4250 0.0124 0.1630 0.0533 242 ASP A N 1535 C CA . ASP A 214 ? 0.7969 0.6480 0.6085 0.0143 0.1720 0.0556 242 ASP A CA 1536 C C . ASP A 214 ? 0.9106 0.7476 0.7230 0.0245 0.1887 0.0622 242 ASP A C 1537 O O . ASP A 214 ? 0.9157 0.7200 0.6998 0.0321 0.1928 0.0614 242 ASP A O 1538 C CB . ASP A 214 ? 0.8567 0.6632 0.6209 0.0137 0.1646 0.0500 242 ASP A CB 1539 C CG . ASP A 214 ? 1.0194 0.8023 0.7710 0.0158 0.1736 0.0523 242 ASP A CG 1540 O OD1 . ASP A 214 ? 1.1306 0.9372 0.9142 0.0144 0.1835 0.0577 242 ASP A OD1 1541 O OD2 . ASP A 214 ? 1.0621 0.8031 0.7718 0.0180 0.1696 0.0489 242 ASP A OD2 1542 N N . GLN A 215 ? 0.7517 0.6119 0.5955 0.0244 0.1986 0.0688 243 GLN A N 1543 C CA . GLN A 215 ? 0.9738 0.8264 0.8233 0.0348 0.2150 0.0767 243 GLN A CA 1544 C C . GLN A 215 ? 0.9390 0.7418 0.7509 0.0428 0.2272 0.0775 243 GLN A C 1545 O O . GLN A 215 ? 0.8653 0.6449 0.6648 0.0544 0.2409 0.0820 243 GLN A O 1546 C CB . GLN A 215 ? 1.1480 1.0455 1.0452 0.0308 0.2198 0.0842 243 GLN A CB 1547 C CG . GLN A 215 ? 1.3044 1.2105 1.2183 0.0410 0.2320 0.0931 243 GLN A CG 1548 C CD . GLN A 215 ? 1.2856 1.1953 1.1969 0.0458 0.2265 0.0913 243 GLN A CD 1549 O OE1 . GLN A 215 ? 1.4619 1.3374 1.3473 0.0575 0.2357 0.0930 243 GLN A OE1 1550 N NE2 . GLN A 215 ? 1.1293 1.0780 1.0658 0.0367 0.2119 0.0877 243 GLN A NE2 1551 N N . LEU A 216 ? 0.8504 0.6341 0.6419 0.0376 0.2227 0.0733 244 LEU A N 1552 C CA . LEU A 216 ? 1.0060 0.7410 0.7583 0.0445 0.2322 0.0731 244 LEU A CA 1553 C C . LEU A 216 ? 1.1235 0.8116 0.8267 0.0506 0.2283 0.0666 244 LEU A C 1554 O O . LEU A 216 ? 1.3061 0.9499 0.9727 0.0577 0.2367 0.0659 244 LEU A O 1555 C CB . LEU A 216 ? 1.0274 0.7559 0.7712 0.0368 0.2265 0.0704 244 LEU A CB 1556 C CG . LEU A 216 ? 0.9333 0.6929 0.7161 0.0313 0.2351 0.0774 244 LEU A CG 1557 C CD1 . LEU A 216 ? 0.7839 0.5461 0.5647 0.0210 0.2248 0.0733 244 LEU A CD1 1558 C CD2 . LEU A 216 ? 0.9702 0.7057 0.7443 0.0401 0.2547 0.0844 244 LEU A CD2 1559 N N . THR A 217 ? 1.0653 0.7609 0.7659 0.0474 0.2159 0.0617 245 THR A N 1560 C CA . THR A 217 ? 1.1751 0.8265 0.8287 0.0499 0.2093 0.0548 245 THR A CA 1561 C C . THR A 217 ? 1.1998 0.8649 0.8650 0.0514 0.2078 0.0549 245 THR A C 1562 O O . THR A 217 ? 1.2212 0.9258 0.9279 0.0531 0.2141 0.0612 245 THR A O 1563 C CB . THR A 217 ? 1.1304 0.7690 0.7578 0.0404 0.1893 0.0472 245 THR A CB 1564 O OG1 . THR A 217 ? 1.4240 1.0121 1.0002 0.0422 0.1830 0.0411 245 THR A OG1 1565 C CG2 . THR A 217 ? 0.8399 0.5184 0.4924 0.0305 0.1731 0.0447 245 THR A CG2 1566 N N . ASP A 218 ? 1.1956 0.8262 0.8228 0.0504 0.1994 0.0483 246 ASP A N 1567 C CA . ASP A 218 ? 1.1969 0.8357 0.8301 0.0505 0.1969 0.0476 246 ASP A CA 1568 C C . ASP A 218 ? 0.8536 0.5240 0.5007 0.0379 0.1767 0.0432 246 ASP A C 1569 O O . ASP A 218 ? 0.9427 0.6155 0.5889 0.0362 0.1724 0.0417 246 ASP A O 1570 C CB . ASP A 218 ? 1.6304 1.2101 1.2130 0.0560 0.2008 0.0432 246 ASP A CB 1571 C CG . ASP A 218 ? 1.9453 1.4977 1.5197 0.0717 0.2247 0.0493 246 ASP A CG 1572 O OD1 . ASP A 218 ? 2.0371 1.6247 1.6530 0.0787 0.2375 0.0583 246 ASP A OD1 1573 O OD2 . ASP A 218 ? 2.0532 1.5486 1.5792 0.0770 0.2302 0.0457 246 ASP A OD2 1574 N N . SER A 219 ? 1.0556 0.7470 0.7129 0.0295 0.1649 0.0414 247 SER A N 1575 C CA . SER A 219 ? 1.0363 0.7489 0.6976 0.0183 0.1450 0.0368 247 SER A CA 1576 C C . SER A 219 ? 0.8031 0.5731 0.5143 0.0151 0.1444 0.0404 247 SER A C 1577 O O . SER A 219 ? 0.6798 0.4801 0.4254 0.0170 0.1531 0.0453 247 SER A O 1578 C CB . SER A 219 ? 1.0659 0.7686 0.7089 0.0122 0.1315 0.0331 247 SER A CB 1579 O OG . SER A 219 ? 1.2607 0.9114 0.8552 0.0132 0.1266 0.0289 247 SER A OG 1580 N N . CYS A 220 ? 0.8327 0.6167 0.5467 0.0094 0.1334 0.0378 248 CYS A N 1581 C CA . CYS A 220 ? 0.7363 0.5729 0.4931 0.0057 0.1303 0.0401 248 CYS A CA 1582 C C . CYS A 220 ? 0.5706 0.4203 0.3223 -0.0047 0.1118 0.0349 248 CYS A C 1583 O O . CYS A 220 ? 0.6012 0.4226 0.3185 -0.0098 0.0987 0.0303 248 CYS A O 1584 C CB . CYS A 220 ? 0.7795 0.6239 0.5473 0.0097 0.1358 0.0430 248 CYS A CB 1585 S SG . CYS A 220 ? 1.0838 0.9164 0.8597 0.0234 0.1568 0.0500 248 CYS A SG 1586 N N . TYR A 221 ? 0.5743 0.4672 0.3605 -0.0083 0.1096 0.0354 249 TYR A N 1587 C CA . TYR A 221 ? 0.5258 0.4352 0.3148 -0.0166 0.0899 0.0293 249 TYR A CA 1588 C C . TYR A 221 ? 0.3885 0.3495 0.2226 -0.0193 0.0832 0.0285 249 TYR A C 1589 O O . TYR A 221 ? 0.3807 0.3693 0.2449 -0.0158 0.0964 0.0334 249 TYR A O 1590 C CB . TYR A 221 ? 0.5383 0.4513 0.3341 -0.0172 0.0859 0.0268 249 TYR A CB 1591 C CG . TYR A 221 ? 0.6269 0.4876 0.3753 -0.0141 0.0917 0.0282 249 TYR A CG 1592 C CD1 . TYR A 221 ? 0.7127 0.5434 0.4241 -0.0172 0.0740 0.0239 249 TYR A CD1 1593 C CD2 . TYR A 221 ? 0.7397 0.5865 0.4895 -0.0076 0.1105 0.0332 249 TYR A CD2 1594 C CE1 . TYR A 221 ? 0.9159 0.7016 0.5891 -0.0136 0.0761 0.0243 249 TYR A CE1 1595 C CE2 . TYR A 221 ? 0.9163 0.7194 0.6317 -0.0035 0.1127 0.0331 249 TYR A CE2 1596 C CZ . TYR A 221 ? 1.0017 0.7734 0.6779 -0.0063 0.0959 0.0284 249 TYR A CZ 1597 O OH . TYR A 221 ? 1.1345 0.8630 0.7762 -0.0021 0.0975 0.0280 249 TYR A OH 1598 N N . GLN A 222 ? 0.4149 0.3892 0.2530 -0.0255 0.0625 0.0232 250 GLN A N 1599 C CA . GLN A 222 ? 0.3298 0.3516 0.2071 -0.0282 0.0543 0.0220 250 GLN A CA 1600 C C . GLN A 222 ? 0.3081 0.3496 0.1978 -0.0325 0.0342 0.0157 250 GLN A C 1601 O O . GLN A 222 ? 0.4055 0.4308 0.2752 -0.0365 0.0193 0.0132 250 GLN A O 1602 C CB . GLN A 222 ? 0.3944 0.4114 0.2636 -0.0304 0.0528 0.0242 250 GLN A CB 1603 C CG . GLN A 222 ? 0.2341 0.2972 0.1396 -0.0332 0.0439 0.0238 250 GLN A CG 1604 C CD . GLN A 222 ? 0.3255 0.3774 0.2185 -0.0369 0.0418 0.0264 250 GLN A CD 1605 O OE1 . GLN A 222 ? 0.3507 0.3959 0.2330 -0.0448 0.0257 0.0234 250 GLN A OE1 1606 N NE2 . GLN A 222 ? 0.3516 0.4014 0.2465 -0.0312 0.0584 0.0327 250 GLN A NE2 1607 N N . PHE A 223 ? 0.2871 0.3624 0.2088 -0.0314 0.0337 0.0134 251 PHE A N 1608 C CA . PHE A 223 ? 0.2248 0.3179 0.1586 -0.0329 0.0178 0.0078 251 PHE A CA 1609 C C . PHE A 223 ? 0.2305 0.3661 0.1956 -0.0344 0.0106 0.0067 251 PHE A C 1610 O O . PHE A 223 ? 0.1745 0.3387 0.1656 -0.0332 0.0165 0.0061 251 PHE A O 1611 C CB . PHE A 223 ? 0.2069 0.3015 0.1490 -0.0307 0.0227 0.0053 251 PHE A CB 1612 C CG . PHE A 223 ? 0.3708 0.4232 0.2804 -0.0289 0.0265 0.0063 251 PHE A CG 1613 C CD1 . PHE A 223 ? 0.3575 0.3809 0.2469 -0.0272 0.0429 0.0115 251 PHE A CD1 1614 C CD2 . PHE A 223 ? 0.3525 0.3937 0.2509 -0.0276 0.0146 0.0031 251 PHE A CD2 1615 C CE1 . PHE A 223 ? 0.4274 0.4103 0.2839 -0.0249 0.0474 0.0129 251 PHE A CE1 1616 C CE2 . PHE A 223 ? 0.3933 0.3946 0.2593 -0.0253 0.0179 0.0049 251 PHE A CE2 1617 C CZ . PHE A 223 ? 0.4392 0.4108 0.2835 -0.0244 0.0343 0.0095 251 PHE A CZ 1618 N N . ASN A 224 ? 0.2167 0.3578 0.1797 -0.0375 -0.0029 0.0065 252 ASN A N 1619 C CA . ASN A 224 ? 0.1538 0.3338 0.1451 -0.0384 -0.0068 0.0068 252 ASN A CA 1620 C C . ASN A 224 ? 0.2250 0.4298 0.2344 -0.0362 -0.0178 0.0024 252 ASN A C 1621 O O . ASN A 224 ? 0.2165 0.4344 0.2320 -0.0377 -0.0300 0.0030 252 ASN A O 1622 C CB . ASN A 224 ? 0.2241 0.3985 0.2066 -0.0439 -0.0131 0.0105 252 ASN A CB 1623 C CG . ASN A 224 ? 0.2867 0.4284 0.2448 -0.0449 -0.0013 0.0145 252 ASN A CG 1624 O OD1 . ASN A 224 ? 0.2455 0.3959 0.2136 -0.0412 0.0123 0.0178 252 ASN A OD1 1625 N ND2 . ASN A 224 ? 0.3238 0.4272 0.2484 -0.0493 -0.0066 0.0147 252 ASN A ND2 1626 N N . PHE A 225 ? 0.1910 0.4085 0.2140 -0.0327 -0.0120 -0.0014 253 PHE A N 1627 C CA . PHE A 225 ? 0.2299 0.4628 0.2644 -0.0289 -0.0194 -0.0064 253 PHE A CA 1628 C C . PHE A 225 ? 0.2367 0.4680 0.2784 -0.0236 -0.0192 -0.0052 253 PHE A C 1629 O O . PHE A 225 ? 0.2768 0.5078 0.3219 -0.0192 -0.0243 -0.0066 253 PHE A O 1630 C CB . PHE A 225 ? 0.1481 0.3824 0.1894 -0.0275 -0.0112 -0.0110 253 PHE A CB 1631 C CG . PHE A 225 ? 0.1866 0.3863 0.2080 -0.0280 -0.0048 -0.0109 253 PHE A CG 1632 C CD1 . PHE A 225 ? 0.1965 0.3731 0.2007 -0.0249 -0.0112 -0.0123 253 PHE A CD1 1633 C CD2 . PHE A 225 ? 0.1498 0.3406 0.1699 -0.0308 0.0081 -0.0080 253 PHE A CD2 1634 C CE1 . PHE A 225 ? 0.3363 0.4797 0.3204 -0.0250 -0.0043 -0.0115 253 PHE A CE1 1635 C CE2 . PHE A 225 ? 0.2313 0.3904 0.2335 -0.0311 0.0159 -0.0068 253 PHE A CE2 1636 C CZ . PHE A 225 ? 0.3116 0.4458 0.2945 -0.0283 0.0097 -0.0089 253 PHE A CZ 1637 N N . GLN A 226 ? 0.1678 0.3988 0.2110 -0.0240 -0.0137 -0.0022 254 GLN A N 1638 C CA . GLN A 226 ? 0.1796 0.4096 0.2270 -0.0199 -0.0134 -0.0015 254 GLN A CA 1639 C C . GLN A 226 ? 0.2331 0.4633 0.2819 -0.0222 -0.0178 0.0031 254 GLN A C 1640 O O . GLN A 226 ? 0.2615 0.4934 0.3149 -0.0198 -0.0173 0.0045 254 GLN A O 1641 C CB . GLN A 226 ? 0.1994 0.4278 0.2460 -0.0188 -0.0075 -0.0008 254 GLN A CB 1642 C CG . GLN A 226 ? 0.3087 0.5367 0.3560 -0.0190 -0.0041 -0.0039 254 GLN A CG 1643 C CD . GLN A 226 ? 0.3627 0.5934 0.4128 -0.0168 -0.0055 -0.0100 254 GLN A CD 1644 O OE1 . GLN A 226 ? 0.2781 0.5114 0.3291 -0.0134 -0.0074 -0.0117 254 GLN A OE1 1645 N NE2 . GLN A 226 ? 0.2755 0.5081 0.3279 -0.0193 -0.0040 -0.0134 254 GLN A NE2 1646 N N . SER A 227 ? 0.1261 0.3547 0.1702 -0.0281 -0.0232 0.0057 255 SER A N 1647 C CA . SER A 227 ? 0.1805 0.4084 0.2256 -0.0329 -0.0292 0.0102 255 SER A CA 1648 C C . SER A 227 ? 0.3223 0.5486 0.3720 -0.0314 -0.0391 0.0102 255 SER A C 1649 O O . SER A 227 ? 0.4059 0.6292 0.4526 -0.0284 -0.0433 0.0075 255 SER A O 1650 C CB . SER A 227 ? 0.1764 0.4002 0.2090 -0.0426 -0.0323 0.0132 255 SER A CB 1651 O OG . SER A 227 ? 0.2540 0.4847 0.2871 -0.0424 -0.0220 0.0147 255 SER A OG 1652 N N . THR A 228 ? 0.2165 0.4468 0.2747 -0.0327 -0.0427 0.0136 256 THR A N 1653 C CA . THR A 228 ? 0.3694 0.6014 0.4345 -0.0320 -0.0533 0.0150 256 THR A CA 1654 C C . THR A 228 ? 0.3497 0.5796 0.4134 -0.0415 -0.0618 0.0194 256 THR A C 1655 O O . THR A 228 ? 0.3482 0.5867 0.4218 -0.0436 -0.0595 0.0226 256 THR A O 1656 C CB . THR A 228 ? 0.3883 0.6319 0.4684 -0.0241 -0.0497 0.0150 256 THR A CB 1657 O OG1 . THR A 228 ? 0.3027 0.5520 0.3878 -0.0252 -0.0431 0.0173 256 THR A OG1 1658 C CG2 . THR A 228 ? 0.3125 0.5565 0.3903 -0.0165 -0.0431 0.0102 256 THR A CG2 1659 N N . LEU A 229 ? 0.2887 0.5057 0.3380 -0.0476 -0.0730 0.0194 257 LEU A N 1660 C CA . LEU A 229 ? 0.3951 0.6040 0.4356 -0.0593 -0.0831 0.0228 257 LEU A CA 1661 C C . LEU A 229 ? 0.5187 0.7189 0.5519 -0.0603 -0.0982 0.0226 257 LEU A C 1662 O O . LEU A 229 ? 0.5600 0.7523 0.5840 -0.0541 -0.1010 0.0199 257 LEU A O 1663 C CB . LEU A 229 ? 0.3932 0.5848 0.4092 -0.0694 -0.0815 0.0230 257 LEU A CB 1664 C CG . LEU A 229 ? 0.2679 0.4695 0.2890 -0.0706 -0.0686 0.0246 257 LEU A CG 1665 C CD1 . LEU A 229 ? 0.2735 0.4552 0.2659 -0.0831 -0.0700 0.0257 257 LEU A CD1 1666 C CD2 . LEU A 229 ? 0.1961 0.4139 0.2375 -0.0713 -0.0665 0.0288 257 LEU A CD2 1667 N N . SER A 230 ? 0.4148 0.6168 0.4512 -0.0687 -0.1083 0.0261 258 SER A N 1668 C CA . SER A 230 ? 0.5547 0.7463 0.5793 -0.0722 -0.1240 0.0265 258 SER A CA 1669 C C . SER A 230 ? 0.4911 0.6483 0.4768 -0.0801 -0.1287 0.0244 258 SER A C 1670 O O . SER A 230 ? 0.4441 0.5857 0.4125 -0.0865 -0.1216 0.0236 258 SER A O 1671 C CB . SER A 230 ? 0.5157 0.7181 0.5525 -0.0820 -0.1336 0.0314 258 SER A CB 1672 O OG . SER A 230 ? 0.5753 0.7577 0.5911 -0.0978 -0.1368 0.0330 258 SER A OG 1673 N N . TRP A 231 ? 0.4711 0.6145 0.4403 -0.0791 -0.1404 0.0237 259 TRP A N 1674 C CA . TRP A 231 ? 0.4867 0.5904 0.4128 -0.0851 -0.1437 0.0215 259 TRP A CA 1675 C C . TRP A 231 ? 0.5691 0.6473 0.4720 -0.1014 -0.1456 0.0225 259 TRP A C 1676 O O . TRP A 231 ? 0.6385 0.6838 0.5082 -0.1052 -0.1387 0.0201 259 TRP A O 1677 C CB . TRP A 231 ? 0.5871 0.6809 0.4994 -0.0824 -0.1572 0.0220 259 TRP A CB 1678 C CG . TRP A 231 ? 0.5830 0.6325 0.4488 -0.0848 -0.1581 0.0198 259 TRP A CG 1679 C CD1 . TRP A 231 ? 0.4440 0.4792 0.2924 -0.0749 -0.1525 0.0178 259 TRP A CD1 1680 C CD2 . TRP A 231 ? 0.7109 0.7195 0.5381 -0.0979 -0.1643 0.0194 259 TRP A CD2 1681 N NE1 . TRP A 231 ? 0.5414 0.5288 0.3429 -0.0798 -0.1531 0.0165 259 TRP A NE1 1682 C CE2 . TRP A 231 ? 0.6269 0.5962 0.4140 -0.0934 -0.1602 0.0170 259 TRP A CE2 1683 C CE3 . TRP A 231 ? 0.7715 0.7695 0.5918 -0.1132 -0.1724 0.0211 259 TRP A CE3 1684 C CZ2 . TRP A 231 ? 0.7925 0.7113 0.5328 -0.1020 -0.1626 0.0155 259 TRP A CZ2 1685 C CZ3 . TRP A 231 ? 0.7972 0.7448 0.5702 -0.1231 -0.1764 0.0194 259 TRP A CZ3 1686 C CH2 . TRP A 231 ? 0.9332 0.8412 0.6666 -0.1166 -0.1710 0.0163 259 TRP A CH2 1687 N N . ARG A 232 ? 0.5658 0.6560 0.4833 -0.1112 -0.1541 0.0263 260 ARG A N 1688 C CA . ARG A 232 ? 0.5865 0.6479 0.4786 -0.1284 -0.1573 0.0274 260 ARG A CA 1689 C C . ARG A 232 ? 0.4914 0.5536 0.3848 -0.1306 -0.1431 0.0274 260 ARG A C 1690 O O . ARG A 232 ? 0.5433 0.5666 0.3988 -0.1391 -0.1395 0.0255 260 ARG A O 1691 C CB . ARG A 232 ? 0.7594 0.8357 0.6687 -0.1397 -0.1704 0.0324 260 ARG A CB 1692 C CG . ARG A 232 ? 1.1426 1.2100 1.0404 -0.1418 -0.1869 0.0328 260 ARG A CG 1693 C CD . ARG A 232 ? 1.4392 1.5173 1.3492 -0.1565 -0.2010 0.0382 260 ARG A CD 1694 N NE . ARG A 232 ? 1.6469 1.7032 1.5321 -0.1637 -0.2182 0.0385 260 ARG A NE 1695 C CZ . ARG A 232 ? 1.7306 1.8076 1.6298 -0.1550 -0.2276 0.0399 260 ARG A CZ 1696 N NH1 . ARG A 232 ? 1.5047 1.6214 1.4406 -0.1385 -0.2207 0.0407 260 ARG A NH1 1697 N NH2 . ARG A 232 ? 1.9521 2.0079 1.8260 -0.1627 -0.2439 0.0406 260 ARG A NH2 1698 N N . GLU A 233 ? 0.4963 0.5996 0.4298 -0.1219 -0.1338 0.0295 261 GLU A N 1699 C CA . GLU A 233 ? 0.4396 0.5490 0.3765 -0.1224 -0.1200 0.0301 261 GLU A CA 1700 C C . GLU A 233 ? 0.4511 0.5401 0.3620 -0.1165 -0.1106 0.0258 261 GLU A C 1701 O O . GLU A 233 ? 0.4698 0.5388 0.3562 -0.1228 -0.1030 0.0255 261 GLU A O 1702 C CB . GLU A 233 ? 0.4819 0.6358 0.4637 -0.1112 -0.1105 0.0326 261 GLU A CB 1703 C CG . GLU A 233 ? 0.5730 0.7466 0.5791 -0.1160 -0.1169 0.0376 261 GLU A CG 1704 C CD . GLU A 233 ? 0.6002 0.8082 0.6424 -0.1017 -0.1075 0.0386 261 GLU A CD 1705 O OE1 . GLU A 233 ? 0.5817 0.7967 0.6315 -0.0876 -0.1031 0.0347 261 GLU A OE1 1706 O OE2 . GLU A 233 ? 0.7632 0.9872 0.8226 -0.1053 -0.1044 0.0433 261 GLU A OE2 1707 N N . ALA A 234 ? 0.5057 0.5976 0.4184 -0.1044 -0.1105 0.0227 262 ALA A N 1708 C CA . ALA A 234 ? 0.4125 0.4844 0.2992 -0.0989 -0.1011 0.0192 262 ALA A CA 1709 C C . ALA A 234 ? 0.5174 0.5322 0.3487 -0.1071 -0.1022 0.0171 262 ALA A C 1710 O O . ALA A 234 ? 0.4883 0.4771 0.2928 -0.1051 -0.0870 0.0159 262 ALA A O 1711 C CB . ALA A 234 ? 0.3536 0.4374 0.2521 -0.0859 -0.1022 0.0170 262 ALA A CB 1712 N N . TRP A 235 ? 0.4580 0.4502 0.2731 -0.1131 -0.1157 0.0168 263 TRP A N 1713 C CA . TRP A 235 ? 0.6253 0.5586 0.3868 -0.1207 -0.1158 0.0145 263 TRP A CA 1714 C C . TRP A 235 ? 0.6100 0.5231 0.3526 -0.1303 -0.1074 0.0149 263 TRP A C 1715 O O . TRP A 235 ? 0.6128 0.4828 0.3141 -0.1273 -0.0922 0.0126 263 TRP A O 1716 C CB . TRP A 235 ? 0.7749 0.6950 0.5280 -0.1287 -0.1338 0.0152 263 TRP A CB 1717 C CG . TRP A 235 ? 0.9321 0.7883 0.6280 -0.1347 -0.1329 0.0122 263 TRP A CG 1718 C CD1 . TRP A 235 ? 0.9467 0.7673 0.6087 -0.1272 -0.1297 0.0096 263 TRP A CD1 1719 C CD2 . TRP A 235 ? 1.0072 0.8242 0.6710 -0.1482 -0.1329 0.0116 263 TRP A CD2 1720 N NE1 . TRP A 235 ? 1.0605 0.8231 0.6729 -0.1340 -0.1269 0.0074 263 TRP A NE1 1721 C CE2 . TRP A 235 ? 1.1176 0.8751 0.7286 -0.1471 -0.1290 0.0083 263 TRP A CE2 1722 C CE3 . TRP A 235 ? 1.1215 0.9458 0.7948 -0.1612 -0.1351 0.0139 263 TRP A CE3 1723 C CZ2 . TRP A 235 ? 1.3439 1.0473 0.9101 -0.1576 -0.1269 0.0067 263 TRP A CZ2 1724 C CZ3 . TRP A 235 ? 1.3180 1.0877 0.9455 -0.1731 -0.1340 0.0122 263 TRP A CZ3 1725 C CH2 . TRP A 235 ? 1.4189 1.1280 0.9929 -0.1707 -0.1297 0.0084 263 TRP A CH2 1726 N N . ALA A 236 ? 0.6212 0.5648 0.3942 -0.1400 -0.1142 0.0186 264 ALA A N 1727 C CA . ALA A 236 ? 0.6481 0.5714 0.4012 -0.1506 -0.1074 0.0196 264 ALA A CA 1728 C C . ALA A 236 ? 0.5705 0.5039 0.3374 -0.1337 -0.0802 0.0206 264 ALA A C 1729 O O . ALA A 236 ? 0.5865 0.4814 0.3248 -0.1303 -0.0628 0.0205 264 ALA A O 1730 C CB . ALA A 236 ? 0.5110 0.4700 0.3023 -0.1624 -0.1179 0.0249 264 ALA A CB 1731 N N . SER A 237 ? 0.6257 0.6094 0.4359 -0.1221 -0.0758 0.0219 265 SER A N 1732 C CA . SER A 237 ? 0.4719 0.4695 0.2989 -0.1069 -0.0521 0.0231 265 SER A CA 1733 C C . SER A 237 ? 0.5311 0.4833 0.3204 -0.0971 -0.0353 0.0209 265 SER A C 1734 O O . SER A 237 ? 0.5243 0.4597 0.3045 -0.0900 -0.0153 0.0235 265 SER A O 1735 C CB . SER A 237 ? 0.3334 0.3861 0.2059 -0.0977 -0.0531 0.0233 265 SER A CB 1736 O OG . SER A 237 ? 0.2851 0.3510 0.1724 -0.0847 -0.0328 0.0243 265 SER A OG 1737 N N . CYS A 238 ? 0.4544 0.3854 0.2208 -0.0957 -0.0422 0.0173 266 CYS A N 1738 C CA . CYS A 238 ? 0.5305 0.4152 0.2580 -0.0867 -0.0255 0.0160 266 CYS A CA 1739 C C . CYS A 238 ? 0.6797 0.5063 0.3574 -0.0926 -0.0201 0.0156 266 CYS A C 1740 O O . CYS A 238 ? 0.8201 0.6152 0.4750 -0.0826 0.0025 0.0174 266 CYS A O 1741 C CB . CYS A 238 ? 0.4499 0.3212 0.1597 -0.0847 -0.0350 0.0128 266 CYS A CB 1742 S SG . CYS A 238 ? 0.5035 0.4312 0.2628 -0.0760 -0.0387 0.0126 266 CYS A SG 1743 N N . GLU A 239 ? 0.6421 0.4533 0.3025 -0.1090 -0.0403 0.0138 267 GLU A N 1744 C CA . GLU A 239 ? 0.7520 0.5032 0.3611 -0.1169 -0.0369 0.0124 267 GLU A CA 1745 C C . GLU A 239 ? 0.7011 0.4518 0.3198 -0.1107 -0.0152 0.0169 267 GLU A C 1746 O O . GLU A 239 ? 0.7120 0.4129 0.2909 -0.1035 0.0043 0.0174 267 GLU A O 1747 C CB . GLU A 239 ? 0.8536 0.5967 0.4503 -0.1387 -0.0658 0.0101 267 GLU A CB 1748 C CG . GLU A 239 ? 1.2372 0.9116 0.7779 -0.1484 -0.0666 0.0067 267 GLU A CG 1749 C CD . GLU A 239 ? 1.3478 1.0029 0.8766 -0.1543 -0.0554 0.0088 267 GLU A CD 1750 O OE1 . GLU A 239 ? 1.2163 0.9226 0.7960 -0.1555 -0.0551 0.0138 267 GLU A OE1 1751 O OE2 . GLU A 239 ? 1.5649 1.1544 1.0388 -0.1552 -0.0447 0.0061 267 GLU A OE2 1752 N N . GLN A 240 ? 0.6437 0.4496 0.3145 -0.1113 -0.0165 0.0211 268 GLN A N 1753 C CA . GLN A 240 ? 0.5746 0.3842 0.2569 -0.1051 0.0025 0.0267 268 GLN A CA 1754 C C . GLN A 240 ? 0.6139 0.4253 0.3017 -0.0842 0.0296 0.0306 268 GLN A C 1755 O O . GLN A 240 ? 0.6769 0.4822 0.3660 -0.0763 0.0479 0.0363 268 GLN A O 1756 C CB . GLN A 240 ? 0.6229 0.4935 0.3591 -0.1099 -0.0059 0.0308 268 GLN A CB 1757 C CG . GLN A 240 ? 0.7026 0.5771 0.4405 -0.1311 -0.0305 0.0297 268 GLN A CG 1758 C CD . GLN A 240 ? 0.6403 0.5834 0.4357 -0.1332 -0.0409 0.0332 268 GLN A CD 1759 O OE1 . GLN A 240 ? 0.4377 0.4224 0.2678 -0.1192 -0.0310 0.0350 268 GLN A OE1 1760 N NE2 . GLN A 240 ? 0.5992 0.5544 0.4046 -0.1511 -0.0607 0.0346 268 GLN A NE2 1761 N N . GLN A 241 ? 0.7472 0.5704 0.4421 -0.0752 0.0326 0.0288 269 GLN A N 1762 C CA . GLN A 241 ? 0.7035 0.5277 0.4037 -0.0571 0.0575 0.0332 269 GLN A CA 1763 C C . GLN A 241 ? 0.8533 0.6174 0.5044 -0.0503 0.0700 0.0312 269 GLN A C 1764 O O . GLN A 241 ? 0.7615 0.5319 0.4279 -0.0346 0.0866 0.0335 269 GLN A O 1765 C CB . GLN A 241 ? 0.4418 0.3188 0.1860 -0.0513 0.0548 0.0329 269 GLN A CB 1766 C CG . GLN A 241 ? 0.4216 0.3589 0.2159 -0.0565 0.0411 0.0332 269 GLN A CG 1767 C CD . GLN A 241 ? 0.3698 0.3518 0.2013 -0.0502 0.0400 0.0320 269 GLN A CD 1768 O OE1 . GLN A 241 ? 0.3729 0.3779 0.2276 -0.0400 0.0552 0.0362 269 GLN A OE1 1769 N NE2 . GLN A 241 ? 0.3843 0.3778 0.2208 -0.0565 0.0218 0.0266 269 GLN A NE2 1770 N N . GLY A 242 ? 0.6639 0.3779 0.2691 -0.0612 0.0582 0.0254 270 GLY A N 1771 C CA . GLY A 242 ? 0.8541 0.5131 0.4208 -0.0538 0.0673 0.0210 270 GLY A CA 1772 C C . GLY A 242 ? 0.8510 0.5137 0.4179 -0.0500 0.0629 0.0182 270 GLY A C 1773 O O . GLY A 242 ? 0.8876 0.5273 0.4446 -0.0369 0.0787 0.0181 270 GLY A O 1774 N N . ALA A 243 ? 0.7898 0.4825 0.3695 -0.0606 0.0418 0.0166 271 ALA A N 1775 C CA . ALA A 243 ? 0.7081 0.4135 0.2958 -0.0563 0.0374 0.0151 271 ALA A CA 1776 C C . ALA A 243 ? 0.7431 0.4462 0.3177 -0.0711 0.0080 0.0104 271 ALA A C 1777 O O . ALA A 243 ? 0.8955 0.5850 0.4550 -0.0850 -0.0080 0.0083 271 ALA A O 1778 C CB . ALA A 243 ? 0.5881 0.3499 0.2236 -0.0489 0.0462 0.0199 271 ALA A CB 1779 N N . ASP A 244 ? 0.6742 0.3918 0.2579 -0.0680 0.0003 0.0094 272 ASP A N 1780 C CA . ASP A 244 ? 0.7337 0.4588 0.3170 -0.0784 -0.0274 0.0066 272 ASP A CA 1781 C C . ASP A 244 ? 0.6323 0.4031 0.2503 -0.0735 -0.0328 0.0077 272 ASP A C 1782 O O . ASP A 244 ? 0.5291 0.3131 0.1603 -0.0631 -0.0146 0.0100 272 ASP A O 1783 C CB . ASP A 244 ? 0.9497 0.6236 0.4919 -0.0788 -0.0320 0.0039 272 ASP A CB 1784 C CG . ASP A 244 ? 1.0776 0.7503 0.6147 -0.0932 -0.0604 0.0025 272 ASP A CG 1785 O OD1 . ASP A 244 ? 0.8813 0.6010 0.4551 -0.0983 -0.0780 0.0038 272 ASP A OD1 1786 O OD2 . ASP A 244 ? 1.2746 0.8996 0.7727 -0.0990 -0.0644 0.0008 272 ASP A OD2 1787 N N . LEU A 245 ? 0.6923 0.4889 0.3287 -0.0806 -0.0570 0.0069 273 LEU A N 1788 C CA . LEU A 245 ? 0.6327 0.4671 0.2988 -0.0746 -0.0627 0.0077 273 LEU A CA 1789 C C . LEU A 245 ? 0.6689 0.4736 0.3111 -0.0640 -0.0510 0.0076 273 LEU A C 1790 O O . LEU A 245 ? 0.7054 0.4648 0.3116 -0.0631 -0.0473 0.0067 273 LEU A O 1791 C CB . LEU A 245 ? 0.6382 0.5017 0.3292 -0.0806 -0.0879 0.0081 273 LEU A CB 1792 C CG . LEU A 245 ? 0.6196 0.5323 0.3545 -0.0870 -0.0966 0.0098 273 LEU A CG 1793 C CD1 . LEU A 245 ? 0.6690 0.6024 0.4251 -0.0920 -0.1175 0.0114 273 LEU A CD1 1794 C CD2 . LEU A 245 ? 0.4120 0.3681 0.1826 -0.0794 -0.0889 0.0105 273 LEU A CD2 1795 N N . LEU A 246 ? 0.6478 0.4768 0.3096 -0.0566 -0.0440 0.0087 274 LEU A N 1796 C CA . LEU A 246 ? 0.6532 0.4562 0.2959 -0.0469 -0.0303 0.0096 274 LEU A CA 1797 C C . LEU A 246 ? 0.7534 0.5278 0.3707 -0.0468 -0.0439 0.0091 274 LEU A C 1798 O O . LEU A 246 ? 0.8306 0.6244 0.4604 -0.0509 -0.0659 0.0089 274 LEU A O 1799 C CB . LEU A 246 ? 0.4942 0.3347 0.1749 -0.0405 -0.0253 0.0101 274 LEU A CB 1800 C CG . LEU A 246 ? 0.5205 0.3397 0.1862 -0.0323 -0.0152 0.0115 274 LEU A CG 1801 C CD1 . LEU A 246 ? 0.4872 0.2796 0.1370 -0.0271 0.0121 0.0143 274 LEU A CD1 1802 C CD2 . LEU A 246 ? 0.4278 0.2886 0.1377 -0.0283 -0.0168 0.0105 274 LEU A CD2 1803 N N . SER A 247 ? 0.5863 0.3164 0.1705 -0.0415 -0.0299 0.0095 275 SER A N 1804 C CA . SER A 247 ? 0.7398 0.4400 0.2968 -0.0391 -0.0383 0.0098 275 SER A CA 1805 C C . SER A 247 ? 0.7655 0.4533 0.3167 -0.0285 -0.0201 0.0122 275 SER A C 1806 O O . SER A 247 ? 0.6583 0.3399 0.2126 -0.0234 0.0034 0.0136 275 SER A O 1807 C CB . SER A 247 ? 0.8709 0.5238 0.3888 -0.0430 -0.0389 0.0080 275 SER A CB 1808 O OG . SER A 247 ? 0.8800 0.5017 0.3801 -0.0364 -0.0135 0.0082 275 SER A OG 1809 N N . ILE A 248 ? 0.7830 0.4702 0.3299 -0.0249 -0.0304 0.0137 276 ILE A N 1810 C CA . ILE A 248 ? 0.7312 0.4036 0.2710 -0.0159 -0.0136 0.0165 276 ILE A CA 1811 C C . ILE A 248 ? 0.9125 0.5396 0.4131 -0.0126 -0.0152 0.0171 276 ILE A C 1812 O O . ILE A 248 ? 1.0170 0.6417 0.5082 -0.0123 -0.0336 0.0180 276 ILE A O 1813 C CB . ILE A 248 ? 0.6547 0.3574 0.2171 -0.0129 -0.0212 0.0181 276 ILE A CB 1814 C CG1 . ILE A 248 ? 0.6005 0.3477 0.1989 -0.0173 -0.0234 0.0163 276 ILE A CG1 1815 C CG2 . ILE A 248 ? 0.6515 0.3364 0.2066 -0.0051 -0.0012 0.0215 276 ILE A CG2 1816 C CD1 . ILE A 248 ? 0.6566 0.4402 0.2880 -0.0142 -0.0345 0.0160 276 ILE A CD1 1817 N N . THR A 249 ? 0.7925 0.3850 0.2715 -0.0090 0.0048 0.0170 277 THR A N 1818 C CA . THR A 249 ? 0.9582 0.5024 0.3949 -0.0065 0.0044 0.0164 277 THR A CA 1819 C C . THR A 249 ? 1.1029 0.6233 0.5244 0.0031 0.0192 0.0195 277 THR A C 1820 O O . THR A 249 ? 1.3109 0.7927 0.6961 0.0060 0.0165 0.0193 277 THR A O 1821 C CB . THR A 249 ? 1.0003 0.5147 0.4175 -0.0073 0.0173 0.0140 277 THR A CB 1822 O OG1 . THR A 249 ? 1.0407 0.5500 0.4664 0.0014 0.0460 0.0162 277 THR A OG1 1823 C CG2 . THR A 249 ? 0.8646 0.4038 0.3008 -0.0162 0.0084 0.0116 277 THR A CG2 1824 N N . GLU A 250 ? 1.0383 0.5800 0.4859 0.0074 0.0347 0.0226 278 GLU A N 1825 C CA . GLU A 250 ? 1.0937 0.6121 0.5308 0.0157 0.0553 0.0259 278 GLU A CA 1826 C C . GLU A 250 ? 0.9482 0.4958 0.4151 0.0167 0.0607 0.0296 278 GLU A C 1827 O O . GLU A 250 ? 0.8007 0.3858 0.2998 0.0121 0.0584 0.0293 278 GLU A O 1828 C CB . GLU A 250 ? 1.1133 0.6172 0.5505 0.0197 0.0807 0.0263 278 GLU A CB 1829 C CG . GLU A 250 ? 1.4152 0.8735 0.8176 0.0277 0.0947 0.0270 278 GLU A CG 1830 C CD . GLU A 250 ? 1.5939 1.0425 1.0004 0.0330 0.1185 0.0277 278 GLU A CD 1831 O OE1 . GLU A 250 ? 1.4376 0.9193 0.8785 0.0304 0.1242 0.0286 278 GLU A OE1 1832 O OE2 . GLU A 250 ? 1.7982 1.2065 1.1738 0.0405 0.1314 0.0279 278 GLU A OE2 1833 N N . ILE A 251 ? 1.0054 0.5335 0.4598 0.0225 0.0686 0.0329 279 ILE A N 1834 C CA . ILE A 251 ? 1.0021 0.5508 0.4814 0.0228 0.0762 0.0367 279 ILE A CA 1835 C C . ILE A 251 ? 0.9346 0.5097 0.4504 0.0196 0.0974 0.0383 279 ILE A C 1836 O O . ILE A 251 ? 0.8199 0.4252 0.3649 0.0154 0.0984 0.0396 279 ILE A O 1837 C CB . ILE A 251 ? 0.9968 0.5144 0.4539 0.0295 0.0842 0.0404 279 ILE A CB 1838 C CG1 . ILE A 251 ? 1.0053 0.5393 0.4852 0.0287 0.0904 0.0444 279 ILE A CG1 1839 C CG2 . ILE A 251 ? 1.0121 0.5017 0.4552 0.0341 0.1071 0.0415 279 ILE A CG2 1840 C CD1 . ILE A 251 ? 1.0742 0.6110 0.5456 0.0312 0.0678 0.0450 279 ILE A CD1 1841 N N . HIS A 252 ? 1.0656 0.6306 0.5809 0.0220 0.1139 0.0385 280 HIS A N 1842 C CA . HIS A 252 ? 0.9408 0.5360 0.4949 0.0197 0.1314 0.0408 280 HIS A CA 1843 C C . HIS A 252 ? 0.9405 0.5741 0.5206 0.0129 0.1194 0.0382 280 HIS A C 1844 O O . HIS A 252 ? 0.8240 0.4926 0.4407 0.0084 0.1259 0.0402 280 HIS A O 1845 C CB . HIS A 252 ? 0.9442 0.5198 0.4885 0.0257 0.1468 0.0413 280 HIS A CB 1846 C CG . HIS A 252 ? 0.9865 0.5957 0.5693 0.0245 0.1586 0.0436 280 HIS A CG 1847 N ND1 . HIS A 252 ? 1.1311 0.7608 0.7478 0.0256 0.1781 0.0497 280 HIS A ND1 1848 C CD2 . HIS A 252 ? 0.9797 0.6084 0.5750 0.0219 0.1524 0.0412 280 HIS A CD2 1849 C CE1 . HIS A 252 ? 1.0632 0.7244 0.7117 0.0246 0.1824 0.0513 280 HIS A CE1 1850 N NE2 . HIS A 252 ? 0.9730 0.6331 0.6083 0.0228 0.1680 0.0461 280 HIS A NE2 1851 N N . GLU A 253 ? 1.1351 0.7629 0.6970 0.0113 0.1019 0.0337 281 GLU A N 1852 C CA . GLU A 253 ? 0.8560 0.5191 0.4404 0.0050 0.0904 0.0310 281 GLU A CA 1853 C C . GLU A 253 ? 0.6740 0.3635 0.2736 0.0012 0.0780 0.0304 281 GLU A C 1854 O O . GLU A 253 ? 0.6385 0.3656 0.2723 -0.0031 0.0805 0.0297 281 GLU A O 1855 C CB . GLU A 253 ? 0.8908 0.5385 0.4506 0.0027 0.0728 0.0265 281 GLU A CB 1856 C CG . GLU A 253 ? 0.8749 0.5543 0.4567 -0.0032 0.0657 0.0242 281 GLU A CG 1857 C CD . GLU A 253 ? 0.9949 0.6518 0.5525 -0.0059 0.0561 0.0207 281 GLU A CD 1858 O OE1 . GLU A 253 ? 1.1162 0.7390 0.6398 -0.0057 0.0454 0.0190 281 GLU A OE1 1859 O OE2 . GLU A 253 ? 0.9031 0.5750 0.4749 -0.0085 0.0597 0.0201 281 GLU A OE2 1860 N N . GLN A 254 ? 0.7559 0.4276 0.3328 0.0035 0.0638 0.0303 282 GLN A N 1861 C CA . GLN A 254 ? 0.6948 0.3944 0.2949 0.0024 0.0507 0.0283 282 GLN A CA 1862 C C . GLN A 254 ? 0.8128 0.5312 0.4490 0.0013 0.0684 0.0293 282 GLN A C 1863 O O . GLN A 254 ? 0.8178 0.5740 0.4940 -0.0015 0.0606 0.0247 282 GLN A O 1864 C CB . GLN A 254 ? 0.7489 0.4230 0.3171 0.0077 0.0339 0.0298 282 GLN A CB 1865 C CG . GLN A 254 ? 0.6204 0.3252 0.2210 0.0098 0.0196 0.0271 282 GLN A CG 1866 C CD . GLN A 254 ? 0.6924 0.4388 0.3213 0.0065 -0.0026 0.0224 282 GLN A CD 1867 O OE1 . GLN A 254 ? 0.7311 0.4716 0.3395 0.0046 -0.0192 0.0227 282 GLN A OE1 1868 N NE2 . GLN A 254 ? 0.6076 0.3954 0.2826 0.0053 -0.0028 0.0182 282 GLN A NE2 1869 N N . THR A 255 ? 0.8630 0.5548 0.4847 0.0028 0.0923 0.0356 283 THR A N 1870 C CA . THR A 255 ? 0.8316 0.5391 0.4867 -0.0007 0.1096 0.0377 283 THR A CA 1871 C C . THR A 255 ? 0.6681 0.4218 0.3707 -0.0070 0.1151 0.0356 283 THR A C 1872 O O . THR A 255 ? 0.6635 0.4516 0.4059 -0.0124 0.1109 0.0314 283 THR A O 1873 C CB . THR A 255 ? 0.9874 0.6581 0.6194 0.0028 0.1327 0.0457 283 THR A CB 1874 O OG1 . THR A 255 ? 1.1306 0.7627 0.7239 0.0092 0.1247 0.0463 283 THR A OG1 1875 C CG2 . THR A 255 ? 0.9816 0.6671 0.6467 -0.0032 0.1512 0.0498 283 THR A CG2 1876 N N . TYR A 256 ? 0.7961 0.5489 0.4926 -0.0058 0.1242 0.0385 284 TYR A N 1877 C CA . TYR A 256 ? 0.7407 0.5373 0.4793 -0.0101 0.1272 0.0374 284 TYR A CA 1878 C C . TYR A 256 ? 0.7047 0.5395 0.4709 -0.0139 0.1038 0.0286 284 TYR A C 1879 O O . TYR A 256 ? 0.6506 0.5245 0.4588 -0.0191 0.1029 0.0258 284 TYR A O 1880 C CB . TYR A 256 ? 0.7935 0.5798 0.5187 -0.0055 0.1343 0.0402 284 TYR A CB 1881 C CG . TYR A 256 ? 0.8508 0.6794 0.6160 -0.0079 0.1383 0.0409 284 TYR A CG 1882 C CD1 . TYR A 256 ? 0.8275 0.6796 0.6294 -0.0076 0.1532 0.0464 284 TYR A CD1 1883 C CD2 . TYR A 256 ? 0.8241 0.6718 0.5931 -0.0104 0.1243 0.0362 284 TYR A CD2 1884 C CE1 . TYR A 256 ? 0.7134 0.6053 0.5518 -0.0088 0.1539 0.0477 284 TYR A CE1 1885 C CE2 . TYR A 256 ? 0.7221 0.6074 0.5262 -0.0117 0.1285 0.0376 284 TYR A CE2 1886 C CZ . TYR A 256 ? 0.7208 0.6285 0.5598 -0.0104 0.1424 0.0434 284 TYR A CZ 1887 O OH . TYR A 256 ? 0.7262 0.6732 0.6011 -0.0108 0.1425 0.0451 284 TYR A OH 1888 N N . ILE A 257 ? 0.8134 0.6373 0.5560 -0.0117 0.0845 0.0246 285 ILE A N 1889 C CA . ILE A 257 ? 0.6198 0.4803 0.3886 -0.0144 0.0635 0.0177 285 ILE A CA 1890 C C . ILE A 257 ? 0.6255 0.5053 0.4202 -0.0156 0.0590 0.0138 285 ILE A C 1891 O O . ILE A 257 ? 0.6413 0.5601 0.4721 -0.0189 0.0534 0.0091 285 ILE A O 1892 C CB . ILE A 257 ? 0.5936 0.4378 0.3328 -0.0125 0.0431 0.0159 285 ILE A CB 1893 C CG1 . ILE A 257 ? 0.7406 0.5587 0.4474 -0.0128 0.0461 0.0184 285 ILE A CG1 1894 C CG2 . ILE A 257 ? 0.4902 0.3744 0.2597 -0.0144 0.0236 0.0106 285 ILE A CG2 1895 C CD1 . ILE A 257 ? 0.6719 0.5096 0.3997 -0.0149 0.0592 0.0198 285 ILE A CD1 1896 N N . ASN A 258 ? 0.6631 0.5124 0.4364 -0.0124 0.0616 0.0156 286 ASN A N 1897 C CA . ASN A 258 ? 0.6988 0.5584 0.4909 -0.0130 0.0582 0.0118 286 ASN A CA 1898 C C . ASN A 258 ? 0.7061 0.5897 0.5336 -0.0207 0.0719 0.0109 286 ASN A C 1899 O O . ASN A 258 ? 0.6103 0.5224 0.4661 -0.0241 0.0650 0.0046 286 ASN A O 1900 C CB . ASN A 258 ? 0.7554 0.5725 0.5141 -0.0076 0.0605 0.0155 286 ASN A CB 1901 C CG . ASN A 258 ? 0.8057 0.6112 0.5403 0.0002 0.0400 0.0150 286 ASN A CG 1902 O OD1 . ASN A 258 ? 0.8368 0.6693 0.5843 0.0004 0.0239 0.0116 286 ASN A OD1 1903 N ND2 . ASN A 258 ? 0.7763 0.5433 0.4774 0.0065 0.0402 0.0194 286 ASN A ND2 1904 N N . GLY A 259 ? 0.7674 0.6408 0.5935 -0.0237 0.0913 0.0175 287 GLY A N 1905 C CA . GLY A 259 ? 0.7719 0.6742 0.6356 -0.0322 0.1027 0.0183 287 GLY A CA 1906 C C . GLY A 259 ? 0.7094 0.6575 0.6060 -0.0353 0.0933 0.0135 287 GLY A C 1907 O O . GLY A 259 ? 0.6688 0.6448 0.5943 -0.0415 0.0879 0.0079 287 GLY A O 1908 N N . LEU A 260 ? 0.8342 0.7878 0.7238 -0.0312 0.0910 0.0154 288 LEU A N 1909 C CA . LEU A 260 ? 0.6048 0.5999 0.5234 -0.0334 0.0832 0.0122 288 LEU A CA 1910 C C . LEU A 260 ? 0.5011 0.5165 0.4312 -0.0336 0.0642 0.0031 288 LEU A C 1911 O O . LEU A 260 ? 0.4865 0.5383 0.4462 -0.0374 0.0596 -0.0007 288 LEU A O 1912 C CB . LEU A 260 ? 0.6374 0.6263 0.5400 -0.0288 0.0840 0.0160 288 LEU A CB 1913 C CG . LEU A 260 ? 0.5599 0.5851 0.4857 -0.0297 0.0774 0.0145 288 LEU A CG 1914 C CD1 . LEU A 260 ? 0.5252 0.5345 0.4328 -0.0256 0.0873 0.0210 288 LEU A CD1 1915 C CD2 . LEU A 260 ? 0.4765 0.5167 0.4047 -0.0293 0.0561 0.0071 288 LEU A CD2 1916 N N . LEU A 261 ? 0.5609 0.5543 0.4678 -0.0286 0.0533 0.0004 289 LEU A N 1917 C CA . LEU A 261 ? 0.5213 0.5352 0.4395 -0.0263 0.0367 -0.0065 289 LEU A CA 1918 C C . LEU A 261 ? 0.7376 0.7542 0.6680 -0.0284 0.0368 -0.0121 289 LEU A C 1919 O O . LEU A 261 ? 0.7043 0.7363 0.6434 -0.0250 0.0255 -0.0180 289 LEU A O 1920 C CB . LEU A 261 ? 0.4274 0.4214 0.3191 -0.0192 0.0237 -0.0057 289 LEU A CB 1921 C CG . LEU A 261 ? 0.4921 0.4944 0.3777 -0.0185 0.0140 -0.0037 289 LEU A CG 1922 C CD1 . LEU A 261 ? 0.5722 0.5496 0.4287 -0.0132 0.0009 -0.0017 289 LEU A CD1 1923 C CD2 . LEU A 261 ? 0.3075 0.3535 0.2245 -0.0198 0.0050 -0.0076 289 LEU A CD2 1924 N N . THR A 262 ? 0.6746 0.6746 0.6043 -0.0337 0.0499 -0.0101 290 THR A N 1925 C CA . THR A 262 ? 0.7984 0.7954 0.7364 -0.0376 0.0501 -0.0159 290 THR A CA 1926 C C . THR A 262 ? 0.6477 0.6841 0.6169 -0.0441 0.0456 -0.0223 290 THR A C 1927 O O . THR A 262 ? 0.5172 0.5785 0.5064 -0.0502 0.0507 -0.0194 290 THR A O 1928 C CB . THR A 262 ? 1.0154 0.9860 0.9471 -0.0442 0.0656 -0.0111 290 THR A CB 1929 O OG1 . THR A 262 ? 1.1090 1.0867 1.0480 -0.0480 0.0781 -0.0032 290 THR A OG1 1930 C CG2 . THR A 262 ? 1.1198 1.0457 1.0163 -0.0365 0.0672 -0.0076 290 THR A CG2 1931 N N . GLY A 263 ? 0.6616 0.7034 0.6332 -0.0413 0.0360 -0.0305 291 GLY A N 1932 C CA . GLY A 263 ? 0.6155 0.6906 0.6103 -0.0462 0.0307 -0.0374 291 GLY A CA 1933 C C . GLY A 263 ? 0.5751 0.6798 0.5785 -0.0393 0.0209 -0.0384 291 GLY A C 1934 O O . GLY A 263 ? 0.5219 0.6528 0.5409 -0.0413 0.0159 -0.0444 291 GLY A O 1935 N N . TYR A 264 ? 0.6737 0.7744 0.6664 -0.0321 0.0176 -0.0327 292 TYR A N 1936 C CA . TYR A 264 ? 0.5279 0.6549 0.5289 -0.0262 0.0075 -0.0334 292 TYR A CA 1937 C C . TYR A 264 ? 0.4364 0.5525 0.4253 -0.0156 -0.0015 -0.0351 292 TYR A C 1938 O O . TYR A 264 ? 0.5851 0.6704 0.5555 -0.0119 -0.0001 -0.0343 292 TYR A O 1939 C CB . TYR A 264 ? 0.4527 0.5849 0.4514 -0.0264 0.0078 -0.0261 292 TYR A CB 1940 C CG . TYR A 264 ? 0.3562 0.5014 0.3679 -0.0336 0.0176 -0.0223 292 TYR A CG 1941 C CD1 . TYR A 264 ? 0.4173 0.5973 0.4501 -0.0355 0.0157 -0.0224 292 TYR A CD1 1942 C CD2 . TYR A 264 ? 0.4911 0.6141 0.4938 -0.0371 0.0297 -0.0170 292 TYR A CD2 1943 C CE1 . TYR A 264 ? 0.4528 0.6462 0.4986 -0.0403 0.0249 -0.0171 292 TYR A CE1 1944 C CE2 . TYR A 264 ? 0.5688 0.7057 0.5856 -0.0418 0.0400 -0.0116 292 TYR A CE2 1945 C CZ . TYR A 264 ? 0.5377 0.7103 0.5766 -0.0431 0.0372 -0.0115 292 TYR A CZ 1946 O OH . TYR A 264 ? 0.4562 0.6431 0.5100 -0.0460 0.0480 -0.0045 292 TYR A OH 1947 N N . SER A 265 ? 0.4160 0.5587 0.4161 -0.0101 -0.0101 -0.0357 293 SER A N 1948 C CA . SER A 265 ? 0.4210 0.5618 0.4154 0.0012 -0.0191 -0.0348 293 SER A CA 1949 C C . SER A 265 ? 0.4605 0.6252 0.4637 0.0023 -0.0276 -0.0291 293 SER A C 1950 O O . SER A 265 ? 0.5012 0.6970 0.5233 0.0008 -0.0285 -0.0304 293 SER A O 1951 C CB . SER A 265 ? 0.5704 0.7211 0.5727 0.0074 -0.0192 -0.0421 293 SER A CB 1952 O OG . SER A 265 ? 0.6292 0.7858 0.6315 0.0205 -0.0265 -0.0396 293 SER A OG 1953 N N . SER A 266 ? 0.5366 0.6857 0.5250 0.0040 -0.0341 -0.0228 294 SER A N 1954 C CA . SER A 266 ? 0.4020 0.5688 0.3962 0.0010 -0.0422 -0.0174 294 SER A CA 1955 C C . SER A 266 ? 0.4024 0.5506 0.3780 0.0042 -0.0533 -0.0113 294 SER A C 1956 O O . SER A 266 ? 0.5053 0.6217 0.4589 0.0073 -0.0520 -0.0104 294 SER A O 1957 C CB . SER A 266 ? 0.3311 0.4964 0.3241 -0.0088 -0.0346 -0.0164 294 SER A CB 1958 O OG . SER A 266 ? 0.3565 0.5366 0.3541 -0.0124 -0.0416 -0.0119 294 SER A OG 1959 N N . THR A 267 ? 0.3482 0.5158 0.3318 0.0021 -0.0645 -0.0064 295 THR A N 1960 C CA . THR A 267 ? 0.4562 0.6095 0.4225 0.0017 -0.0782 -0.0001 295 THR A CA 1961 C C . THR A 267 ? 0.3547 0.5109 0.3178 -0.0096 -0.0825 0.0027 295 THR A C 1962 O O . THR A 267 ? 0.4298 0.6115 0.4170 -0.0122 -0.0837 0.0039 295 THR A O 1963 C CB . THR A 267 ? 0.3533 0.5310 0.3362 0.0110 -0.0910 0.0044 295 THR A CB 1964 O OG1 . THR A 267 ? 0.6377 0.8073 0.6200 0.0228 -0.0850 0.0016 295 THR A OG1 1965 C CG2 . THR A 267 ? 0.3508 0.5179 0.3179 0.0092 -0.1083 0.0121 295 THR A CG2 1966 N N . LEU A 268 ? 0.5144 0.6347 0.4464 -0.0154 -0.0813 0.0038 296 LEU A N 1967 C CA . LEU A 268 ? 0.3741 0.4888 0.2979 -0.0258 -0.0806 0.0050 296 LEU A CA 1968 C C . LEU A 268 ? 0.5009 0.5894 0.3949 -0.0319 -0.0949 0.0090 296 LEU A C 1969 O O . LEU A 268 ? 0.5867 0.6433 0.4518 -0.0287 -0.0981 0.0100 296 LEU A O 1970 C CB . LEU A 268 ? 0.2878 0.3811 0.1995 -0.0279 -0.0616 0.0022 296 LEU A CB 1971 C CG . LEU A 268 ? 0.2547 0.3692 0.1917 -0.0243 -0.0476 -0.0018 296 LEU A CG 1972 C CD1 . LEU A 268 ? 0.2346 0.3228 0.1569 -0.0196 -0.0383 -0.0037 296 LEU A CD1 1973 C CD2 . LEU A 268 ? 0.1877 0.3107 0.1333 -0.0293 -0.0356 -0.0015 296 LEU A CD2 1974 N N . TRP A 269 ? 0.3145 0.4117 0.2154 -0.0401 -0.1014 0.0106 297 TRP A N 1975 C CA . TRP A 269 ? 0.3309 0.3981 0.2046 -0.0464 -0.1115 0.0122 297 TRP A CA 1976 C C . TRP A 269 ? 0.4568 0.4767 0.2828 -0.0507 -0.1036 0.0112 297 TRP A C 1977 O O . TRP A 269 ? 0.4240 0.4379 0.2489 -0.0508 -0.0860 0.0093 297 TRP A O 1978 C CB . TRP A 269 ? 0.3920 0.4709 0.2817 -0.0547 -0.1141 0.0130 297 TRP A CB 1979 C CG . TRP A 269 ? 0.5219 0.6347 0.4502 -0.0514 -0.1209 0.0147 297 TRP A CG 1980 C CD1 . TRP A 269 ? 0.4581 0.5973 0.4177 -0.0527 -0.1148 0.0155 297 TRP A CD1 1981 C CD2 . TRP A 269 ? 0.6599 0.7817 0.5971 -0.0460 -0.1336 0.0167 297 TRP A CD2 1982 N NE1 . TRP A 269 ? 0.5968 0.7574 0.5823 -0.0488 -0.1219 0.0177 297 TRP A NE1 1983 C CE2 . TRP A 269 ? 0.7372 0.8896 0.7110 -0.0447 -0.1340 0.0184 297 TRP A CE2 1984 C CE3 . TRP A 269 ? 0.7592 0.8657 0.6757 -0.0420 -0.1438 0.0179 297 TRP A CE3 1985 C CZ2 . TRP A 269 ? 0.8498 1.0193 0.8411 -0.0396 -0.1444 0.0212 297 TRP A CZ2 1986 C CZ3 . TRP A 269 ? 0.9359 1.0625 0.8712 -0.0364 -0.1551 0.0209 297 TRP A CZ3 1987 C CH2 . TRP A 269 ? 0.9423 1.1003 0.9151 -0.0353 -0.1555 0.0224 297 TRP A CH2 1988 N N . ILE A 270 ? 0.4669 0.4526 0.2613 -0.0499 -0.1107 0.0121 298 ILE A N 1989 C CA . ILE A 270 ? 0.5149 0.4486 0.2621 -0.0523 -0.1016 0.0110 298 ILE A CA 1990 C C . ILE A 270 ? 0.7510 0.6649 0.4815 -0.0600 -0.1135 0.0114 298 ILE A C 1991 O O . ILE A 270 ? 0.7132 0.6558 0.4699 -0.0641 -0.1281 0.0130 298 ILE A O 1992 C CB . ILE A 270 ? 0.5308 0.4361 0.2516 -0.0433 -0.0947 0.0115 298 ILE A CB 1993 C CG1 . ILE A 270 ? 0.6544 0.5710 0.3832 -0.0378 -0.1112 0.0142 298 ILE A CG1 1994 C CG2 . ILE A 270 ? 0.3916 0.3175 0.1394 -0.0363 -0.0768 0.0099 298 ILE A CG2 1995 C CD1 . ILE A 270 ? 0.7228 0.6068 0.4222 -0.0289 -0.1053 0.0157 298 ILE A CD1 1996 N N . GLY A 271 ? 0.6046 0.4690 0.2918 -0.0621 -0.1061 0.0102 299 GLY A N 1997 C CA . GLY A 271 ? 0.6115 0.4511 0.2774 -0.0719 -0.1161 0.0098 299 GLY A CA 1998 C C . GLY A 271 ? 0.8126 0.6451 0.4685 -0.0725 -0.1335 0.0117 299 GLY A C 1999 O O . GLY A 271 ? 0.9866 0.7943 0.6200 -0.0815 -0.1429 0.0114 299 GLY A O 2000 N N . LEU A 272 ? 0.7154 0.5677 0.3856 -0.0632 -0.1383 0.0140 300 LEU A N 2001 C CA . LEU A 272 ? 0.7776 0.6243 0.4373 -0.0617 -0.1540 0.0169 300 LEU A CA 2002 C C . LEU A 272 ? 0.8512 0.7399 0.5462 -0.0676 -0.1724 0.0196 300 LEU A C 2003 O O . LEU A 272 ? 0.6636 0.5971 0.4009 -0.0647 -0.1721 0.0205 300 LEU A O 2004 C CB . LEU A 272 ? 0.6374 0.4873 0.2974 -0.0485 -0.1505 0.0194 300 LEU A CB 2005 C CG . LEU A 272 ? 0.8578 0.6911 0.4966 -0.0437 -0.1623 0.0231 300 LEU A CG 2006 C CD1 . LEU A 272 ? 0.9923 0.7720 0.5823 -0.0492 -0.1617 0.0213 300 LEU A CD1 2007 C CD2 . LEU A 272 ? 0.7218 0.5513 0.3575 -0.0304 -0.1536 0.0253 300 LEU A CD2 2008 N N . ASN A 273 ? 0.7205 0.5933 0.3975 -0.0761 -0.1873 0.0209 301 ASN A N 2009 C CA . ASN A 273 ? 0.8171 0.7280 0.5256 -0.0820 -0.2049 0.0243 301 ASN A CA 2010 C C . ASN A 273 ? 1.0866 0.9750 0.7672 -0.0880 -0.2223 0.0266 301 ASN A C 2011 O O . ASN A 273 ? 1.1294 0.9672 0.7636 -0.0922 -0.2204 0.0242 301 ASN A O 2012 C CB . ASN A 273 ? 0.7920 0.7155 0.5189 -0.0943 -0.2040 0.0229 301 ASN A CB 2013 C CG . ASN A 273 ? 0.9430 0.8188 0.6285 -0.1089 -0.2073 0.0206 301 ASN A CG 2014 O OD1 . ASN A 273 ? 1.1679 1.0441 0.8520 -0.1206 -0.2232 0.0227 301 ASN A OD1 2015 N ND2 . ASN A 273 ? 0.7922 0.6250 0.4425 -0.1078 -0.1918 0.0166 301 ASN A ND2 2016 N N . ASP A 274 ? 0.8224 0.7484 0.5310 -0.0876 -0.2388 0.0316 302 ASP A N 2017 C CA . ASP A 274 ? 1.0396 0.9535 0.7287 -0.0956 -0.2587 0.0346 302 ASP A CA 2018 C C . ASP A 274 ? 1.1996 1.1252 0.9019 -0.1129 -0.2715 0.0353 302 ASP A C 2019 O O . ASP A 274 ? 1.4046 1.3292 1.0984 -0.1208 -0.2906 0.0386 302 ASP A O 2020 C CB . ASP A 274 ? 1.0563 1.0010 0.7625 -0.0832 -0.2701 0.0410 302 ASP A CB 2021 C CG . ASP A 274 ? 1.1729 1.1779 0.9355 -0.0758 -0.2711 0.0446 302 ASP A CG 2022 O OD1 . ASP A 274 ? 1.1325 1.1567 0.9219 -0.0822 -0.2652 0.0424 302 ASP A OD1 2023 O OD2 . ASP A 274 ? 1.2655 1.2968 1.0442 -0.0625 -0.2772 0.0502 302 ASP A OD2 2024 N N . LEU A 275 ? 1.0705 1.0076 0.7935 -0.1192 -0.2619 0.0331 303 LEU A N 2025 C CA . LEU A 275 ? 1.2579 1.2200 1.0074 -0.1332 -0.2725 0.0358 303 LEU A CA 2026 C C . LEU A 275 ? 1.5647 1.4969 1.2826 -0.1507 -0.2915 0.0369 303 LEU A C 2027 O O . LEU A 275 ? 1.6869 1.6476 1.4261 -0.1572 -0.3092 0.0420 303 LEU A O 2028 C CB . LEU A 275 ? 1.1468 1.1088 0.9076 -0.1388 -0.2575 0.0328 303 LEU A CB 2029 C CG . LEU A 275 ? 0.9680 0.9688 0.7688 -0.1241 -0.2416 0.0324 303 LEU A CG 2030 C CD1 . LEU A 275 ? 0.8001 0.7826 0.5921 -0.1262 -0.2238 0.0282 303 LEU A CD1 2031 C CD2 . LEU A 275 ? 1.0097 1.0647 0.8625 -0.1233 -0.2474 0.0372 303 LEU A CD2 2032 N N . ASP A 276 ? 1.2312 1.1048 0.8971 -0.1584 -0.2878 0.0323 304 ASP A N 2033 C CA . ASP A 276 ? 1.4776 1.3155 1.1076 -0.1763 -0.3049 0.0325 304 ASP A CA 2034 C C . ASP A 276 ? 1.6890 1.5348 1.3131 -0.1757 -0.3259 0.0366 304 ASP A C 2035 O O . ASP A 276 ? 1.8274 1.7041 1.4758 -0.1857 -0.3445 0.0416 304 ASP A O 2036 C CB . ASP A 276 ? 1.5154 1.2834 1.0854 -0.1801 -0.2941 0.0265 304 ASP A CB 2037 C CG . ASP A 276 ? 1.4974 1.2500 1.0649 -0.1887 -0.2809 0.0238 304 ASP A CG 2038 O OD1 . ASP A 276 ? 1.4736 1.2615 1.0776 -0.1982 -0.2863 0.0269 304 ASP A OD1 2039 O OD2 . ASP A 276 ? 1.5154 1.2203 1.0441 -0.1854 -0.2645 0.0190 304 ASP A OD2 2040 N N . THR A 277 ? 1.5026 1.3213 1.0945 -0.1641 -0.3233 0.0351 305 THR A N 2041 C CA . THR A 277 ? 1.6103 1.4352 1.1934 -0.1611 -0.3423 0.0395 305 THR A CA 2042 C C . THR A 277 ? 1.4047 1.2773 1.0263 -0.1408 -0.3377 0.0438 305 THR A C 2043 O O . THR A 277 ? 1.2475 1.1063 0.8581 -0.1261 -0.3210 0.0416 305 THR A O 2044 C CB . THR A 277 ? 1.7884 1.5488 1.3069 -0.1611 -0.3425 0.0359 305 THR A CB 2045 O OG1 . THR A 277 ? 1.9466 1.6608 1.4266 -0.1802 -0.3489 0.0324 305 THR A OG1 2046 C CG2 . THR A 277 ? 1.9810 1.7504 1.4912 -0.1552 -0.3608 0.0411 305 THR A CG2 2047 N N . SER A 278 ? 1.4132 1.3397 1.0782 -0.1398 -0.3522 0.0504 306 SER A N 2048 C CA . SER A 278 ? 1.2959 1.2703 1.0015 -0.1199 -0.3468 0.0550 306 SER A CA 2049 C C . SER A 278 ? 1.2811 1.2340 0.9571 -0.1041 -0.3438 0.0563 306 SER A C 2050 O O . SER A 278 ? 1.4531 1.3868 1.0992 -0.1061 -0.3593 0.0591 306 SER A O 2051 C CB . SER A 278 ? 1.4039 1.4325 1.1526 -0.1211 -0.3652 0.0628 306 SER A CB 2052 O OG . SER A 278 ? 1.2868 1.3547 1.0661 -0.0996 -0.3617 0.0680 306 SER A OG 2053 N N . GLY A 279 ? 1.3859 1.3415 1.0698 -0.0888 -0.3240 0.0547 307 GLY A N 2054 C CA . GLY A 279 ? 1.2916 1.2214 0.9461 -0.0746 -0.3173 0.0560 307 GLY A CA 2055 C C . GLY A 279 ? 1.2153 1.0812 0.8174 -0.0788 -0.3044 0.0491 307 GLY A C 2056 O O . GLY A 279 ? 1.1876 1.0314 0.7704 -0.0663 -0.2915 0.0490 307 GLY A O 2057 N N . GLY A 280 ? 1.3773 1.2103 0.9540 -0.0955 -0.3072 0.0440 308 GLY A N 2058 C CA . GLY A 280 ? 1.4202 1.1922 0.9486 -0.0978 -0.2917 0.0374 308 GLY A CA 2059 C C . GLY A 280 ? 1.2326 1.0090 0.7783 -0.0918 -0.2680 0.0334 308 GLY A C 2060 O O . GLY A 280 ? 1.1415 0.9411 0.7160 -0.0995 -0.2649 0.0315 308 GLY A O 2061 N N . TRP A 281 ? 1.4249 1.1764 0.9510 -0.0793 -0.2509 0.0320 309 TRP A N 2062 C CA . TRP A 281 ? 1.1608 0.9203 0.7049 -0.0724 -0.2293 0.0291 309 TRP A CA 2063 C C . TRP A 281 ? 1.0793 0.7878 0.5863 -0.0774 -0.2124 0.0230 309 TRP A C 2064 O O . TRP A 281 ? 1.1641 0.8215 0.6237 -0.0771 -0.2093 0.0214 309 TRP A O 2065 C CB . TRP A 281 ? 1.1040 0.8692 0.6522 -0.0557 -0.2198 0.0321 309 TRP A CB 2066 C CG . TRP A 281 ? 1.1421 0.9594 0.7304 -0.0482 -0.2325 0.0387 309 TRP A CG 2067 C CD1 . TRP A 281 ? 1.3561 1.1776 0.9378 -0.0395 -0.2441 0.0452 309 TRP A CD1 2068 C CD2 . TRP A 281 ? 1.0412 0.9137 0.6819 -0.0472 -0.2339 0.0401 309 TRP A CD2 2069 N NE1 . TRP A 281 ? 1.3894 1.2656 1.0166 -0.0323 -0.2521 0.0510 309 TRP A NE1 2070 C CE2 . TRP A 281 ? 1.1361 1.0439 0.8001 -0.0368 -0.2456 0.0476 309 TRP A CE2 2071 C CE3 . TRP A 281 ? 0.9594 0.8540 0.6289 -0.0531 -0.2256 0.0361 309 TRP A CE3 2072 C CZ2 . TRP A 281 ? 1.0299 0.9929 0.7443 -0.0314 -0.2481 0.0507 309 TRP A CZ2 2073 C CZ3 . TRP A 281 ? 0.8251 0.7746 0.5448 -0.0485 -0.2285 0.0388 309 TRP A CZ3 2074 C CH2 . TRP A 281 ? 0.9101 0.8923 0.6514 -0.0374 -0.2391 0.0457 309 TRP A CH2 2075 N N . GLN A 282 ? 1.1445 0.8668 0.6728 -0.0811 -0.2009 0.0200 310 GLN A N 2076 C CA . GLN A 282 ? 1.1562 0.8334 0.6519 -0.0856 -0.1849 0.0152 310 GLN A CA 2077 C C . GLN A 282 ? 0.8681 0.5666 0.3911 -0.0816 -0.1666 0.0133 310 GLN A C 2078 O O . GLN A 282 ? 0.7927 0.5421 0.3614 -0.0807 -0.1705 0.0149 310 GLN A O 2079 C CB . GLN A 282 ? 1.3660 1.0235 0.8441 -0.1020 -0.1972 0.0136 310 GLN A CB 2080 C CG . GLN A 282 ? 1.3878 1.0951 0.9114 -0.1122 -0.2099 0.0155 310 GLN A CG 2081 C CD . GLN A 282 ? 1.5739 1.2597 1.0780 -0.1300 -0.2242 0.0150 310 GLN A CD 2082 O OE1 . GLN A 282 ? 1.6012 1.2538 1.0693 -0.1354 -0.2365 0.0152 310 GLN A OE1 2083 N NE2 . GLN A 282 ? 1.5005 1.2037 1.0268 -0.1396 -0.2230 0.0146 310 GLN A NE2 2084 N N . TRP A 283 ? 1.1837 0.8429 0.6782 -0.0784 -0.1460 0.0102 311 TRP A N 2085 C CA . TRP A 283 ? 1.0378 0.7115 0.5520 -0.0773 -0.1292 0.0084 311 TRP A CA 2086 C C . TRP A 283 ? 1.1085 0.7815 0.6246 -0.0910 -0.1354 0.0069 311 TRP A C 2087 O O . TRP A 283 ? 1.2341 0.8765 0.7217 -0.1007 -0.1464 0.0064 311 TRP A O 2088 C CB . TRP A 283 ? 0.9876 0.6219 0.4730 -0.0675 -0.1034 0.0069 311 TRP A CB 2089 C CG . TRP A 283 ? 1.0008 0.6382 0.4873 -0.0555 -0.0979 0.0091 311 TRP A CG 2090 C CD1 . TRP A 283 ? 1.1688 0.7670 0.6199 -0.0492 -0.0940 0.0099 311 TRP A CD1 2091 C CD2 . TRP A 283 ? 0.7662 0.4466 0.2897 -0.0487 -0.0966 0.0111 311 TRP A CD2 2092 N NE1 . TRP A 283 ? 1.0596 0.6728 0.5233 -0.0390 -0.0895 0.0126 311 TRP A NE1 2093 C CE2 . TRP A 283 ? 0.7914 0.4536 0.2982 -0.0387 -0.0911 0.0133 311 TRP A CE2 2094 C CE3 . TRP A 283 ? 0.6557 0.3854 0.2225 -0.0501 -0.0989 0.0113 311 TRP A CE3 2095 C CZ2 . TRP A 283 ? 0.6761 0.3650 0.2063 -0.0306 -0.0882 0.0158 311 TRP A CZ2 2096 C CZ3 . TRP A 283 ? 0.6043 0.3613 0.1943 -0.0417 -0.0964 0.0132 311 TRP A CZ3 2097 C CH2 . TRP A 283 ? 0.6248 0.3600 0.1954 -0.0323 -0.0913 0.0155 311 TRP A CH2 2098 N N . SER A 284 ? 1.0293 0.7373 0.5796 -0.0925 -0.1298 0.0068 312 SER A N 2099 C CA . SER A 284 ? 0.9537 0.6595 0.5052 -0.1056 -0.1341 0.0060 312 SER A CA 2100 C C . SER A 284 ? 0.9819 0.6287 0.4861 -0.1068 -0.1180 0.0032 312 SER A C 2101 O O . SER A 284 ? 1.1661 0.7836 0.6458 -0.1187 -0.1254 0.0025 312 SER A O 2102 C CB . SER A 284 ? 0.7418 0.4977 0.3395 -0.1058 -0.1304 0.0069 312 SER A CB 2103 O OG . SER A 284 ? 0.6426 0.3909 0.2358 -0.0968 -0.1076 0.0055 312 SER A OG 2104 N N . ASP A 285 ? 0.9064 0.5347 0.3978 -0.0940 -0.0950 0.0022 313 ASP A N 2105 C CA . ASP A 285 ? 0.9454 0.5135 0.3894 -0.0900 -0.0777 0.0004 313 ASP A CA 2106 C C . ASP A 285 ? 1.1825 0.7146 0.5916 -0.0896 -0.0873 0.0003 313 ASP A C 2107 O O . ASP A 285 ? 1.3864 0.9422 0.8092 -0.0921 -0.1066 0.0019 313 ASP A O 2108 C CB . ASP A 285 ? 0.7849 0.3523 0.2347 -0.0751 -0.0490 0.0007 313 ASP A CB 2109 C CG . ASP A 285 ? 0.9604 0.5320 0.4133 -0.0627 -0.0419 0.0023 313 ASP A CG 2110 O OD1 . ASP A 285 ? 0.9415 0.5107 0.3867 -0.0637 -0.0573 0.0028 313 ASP A OD1 2111 O OD2 . ASP A 285 ? 0.8857 0.4625 0.3493 -0.0515 -0.0192 0.0037 313 ASP A OD2 2112 N N . ASN A 286 ? 0.9001 0.3748 0.2636 -0.0853 -0.0734 -0.0010 314 ASN A N 2113 C CA . ASN A 286 ? 1.1867 0.6247 0.5126 -0.0880 -0.0864 -0.0010 314 ASN A CA 2114 C C . ASN A 286 ? 1.1850 0.6138 0.5018 -0.0743 -0.0779 0.0001 314 ASN A C 2115 O O . ASN A 286 ? 1.4385 0.8281 0.7169 -0.0744 -0.0843 0.0000 314 ASN A O 2116 C CB . ASN A 286 ? 1.4560 0.8305 0.7300 -0.0937 -0.0822 -0.0027 314 ASN A CB 2117 C CG . ASN A 286 ? 1.6821 1.0580 0.9516 -0.1127 -0.1071 -0.0027 314 ASN A CG 2118 O OD1 . ASN A 286 ? 1.7837 1.1701 1.0534 -0.1202 -0.1304 -0.0016 314 ASN A OD1 2119 N ND2 . ASN A 286 ? 1.6988 1.0673 0.9670 -0.1207 -0.1025 -0.0034 314 ASN A ND2 2120 N N . SER A 287 ? 1.1085 0.5699 0.4571 -0.0633 -0.0636 0.0014 315 SER A N 2121 C CA . SER A 287 ? 1.1464 0.5944 0.4848 -0.0501 -0.0509 0.0030 315 SER A CA 2122 C C . SER A 287 ? 1.2220 0.6675 0.5478 -0.0516 -0.0718 0.0044 315 SER A C 2123 O O . SER A 287 ? 1.1347 0.6176 0.4853 -0.0592 -0.0948 0.0055 315 SER A O 2124 C CB . SER A 287 ? 1.0069 0.4984 0.3873 -0.0414 -0.0369 0.0049 315 SER A CB 2125 O OG . SER A 287 ? 0.9763 0.4712 0.3687 -0.0384 -0.0160 0.0044 315 SER A OG 2126 N N . PRO A 288 ? 1.1781 0.5814 0.4671 -0.0436 -0.0638 0.0049 316 PRO A N 2127 C CA . PRO A 288 ? 1.2133 0.6149 0.4901 -0.0430 -0.0821 0.0069 316 PRO A CA 2128 C C . PRO A 288 ? 1.0859 0.5375 0.4036 -0.0373 -0.0866 0.0101 316 PRO A C 2129 O O . PRO A 288 ? 0.9001 0.3754 0.2459 -0.0310 -0.0700 0.0108 316 PRO A O 2130 C CB . PRO A 288 ? 1.3056 0.6507 0.5359 -0.0331 -0.0654 0.0068 316 PRO A CB 2131 C CG . PRO A 288 ? 1.2965 0.6305 0.5314 -0.0249 -0.0350 0.0059 316 PRO A CG 2132 C CD . PRO A 288 ? 1.2612 0.6166 0.5183 -0.0339 -0.0369 0.0040 316 PRO A CD 2133 N N . LEU A 289 ? 1.1061 0.5733 0.4265 -0.0392 -0.1092 0.0127 317 LEU A N 2134 C CA . LEU A 289 ? 0.9820 0.4926 0.3380 -0.0326 -0.1136 0.0164 317 LEU A CA 2135 C C . LEU A 289 ? 1.0721 0.5515 0.3998 -0.0208 -0.1044 0.0190 317 LEU A C 2136 O O . LEU A 289 ? 1.3035 0.7767 0.6157 -0.0192 -0.1205 0.0219 317 LEU A O 2137 C CB . LEU A 289 ? 1.1031 0.6543 0.4843 -0.0401 -0.1424 0.0188 317 LEU A CB 2138 C CG . LEU A 289 ? 1.1056 0.7085 0.5290 -0.0341 -0.1514 0.0233 317 LEU A CG 2139 C CD1 . LEU A 289 ? 0.7744 0.4176 0.2405 -0.0356 -0.1436 0.0217 317 LEU A CD1 2140 C CD2 . LEU A 289 ? 1.3372 0.9669 0.7724 -0.0392 -0.1792 0.0270 317 LEU A CD2 2141 N N . LYS A 290 ? 1.0033 0.4664 0.3275 -0.0121 -0.0777 0.0187 318 LYS A N 2142 C CA . LYS A 290 ? 1.1347 0.5687 0.4350 -0.0008 -0.0650 0.0214 318 LYS A CA 2143 C C . LYS A 290 ? 0.9597 0.4237 0.2905 0.0069 -0.0576 0.0251 318 LYS A C 2144 O O . LYS A 290 ? 1.1587 0.6027 0.4730 0.0161 -0.0495 0.0283 318 LYS A O 2145 C CB . LYS A 290 ? 1.2412 0.6292 0.5115 0.0042 -0.0383 0.0191 318 LYS A CB 2146 C CG . LYS A 290 ? 1.1524 0.5568 0.4503 0.0054 -0.0155 0.0180 318 LYS A CG 2147 C CD . LYS A 290 ? 1.1564 0.5179 0.4275 0.0125 0.0114 0.0170 318 LYS A CD 2148 C CE . LYS A 290 ? 1.2060 0.5726 0.4922 0.0225 0.0358 0.0205 318 LYS A CE 2149 N NZ . LYS A 290 ? 1.2927 0.6552 0.5698 0.0277 0.0294 0.0239 318 LYS A NZ 2150 N N . TYR A 291 ? 1.1015 0.6107 0.4740 0.0033 -0.0609 0.0249 319 TYR A N 2151 C CA . TYR A 291 ? 1.0602 0.5956 0.4608 0.0096 -0.0525 0.0279 319 TYR A CA 2152 C C . TYR A 291 ? 1.0236 0.6083 0.4605 0.0060 -0.0741 0.0289 319 TYR A C 2153 O O . TYR A 291 ? 1.0232 0.6327 0.4795 -0.0028 -0.0834 0.0260 319 TYR A O 2154 C CB . TYR A 291 ? 0.9062 0.4443 0.3217 0.0102 -0.0260 0.0265 319 TYR A CB 2155 C CG . TYR A 291 ? 0.8870 0.4515 0.3306 0.0144 -0.0185 0.0294 319 TYR A CG 2156 C CD1 . TYR A 291 ? 0.8821 0.4272 0.3139 0.0228 -0.0077 0.0335 319 TYR A CD1 2157 C CD2 . TYR A 291 ? 0.7383 0.3451 0.2181 0.0099 -0.0229 0.0281 319 TYR A CD2 2158 C CE1 . TYR A 291 ? 0.7956 0.3599 0.2499 0.0259 -0.0009 0.0364 319 TYR A CE1 2159 C CE2 . TYR A 291 ? 0.7230 0.3502 0.2245 0.0136 -0.0167 0.0303 319 TYR A CE2 2160 C CZ . TYR A 291 ? 0.7356 0.3398 0.2232 0.0213 -0.0056 0.0346 319 TYR A CZ 2161 O OH . TYR A 291 ? 0.7265 0.3456 0.2322 0.0241 0.0011 0.0369 319 TYR A OH 2162 N N . LEU A 292 ? 0.8562 0.4541 0.3022 0.0137 -0.0814 0.0334 320 LEU A N 2163 C CA . LEU A 292 ? 0.9109 0.5559 0.3924 0.0134 -0.1011 0.0353 320 LEU A CA 2164 C C . LEU A 292 ? 0.8816 0.5387 0.3800 0.0225 -0.0915 0.0380 320 LEU A C 2165 O O . LEU A 292 ? 0.9332 0.5628 0.4112 0.0315 -0.0822 0.0417 320 LEU A O 2166 C CB . LEU A 292 ? 1.0597 0.7099 0.5345 0.0147 -0.1253 0.0396 320 LEU A CB 2167 C CG . LEU A 292 ? 1.1623 0.8062 0.6239 0.0036 -0.1395 0.0371 320 LEU A CG 2168 C CD1 . LEU A 292 ? 1.1120 0.7000 0.5241 0.0040 -0.1302 0.0355 320 LEU A CD1 2169 C CD2 . LEU A 292 ? 1.3062 0.9831 0.7851 0.0021 -0.1663 0.0419 320 LEU A CD2 2170 N N . ASN A 293 ? 0.9740 0.6679 0.5067 0.0198 -0.0917 0.0358 321 ASN A N 2171 C CA . ASN A 293 ? 0.8340 0.5443 0.3853 0.0277 -0.0870 0.0375 321 ASN A CA 2172 C C . ASN A 293 ? 0.7265 0.4797 0.3102 0.0321 -0.1089 0.0398 321 ASN A C 2173 O O . ASN A 293 ? 0.7640 0.5477 0.3822 0.0345 -0.1047 0.0372 321 ASN A O 2174 C CB . ASN A 293 ? 0.7913 0.5118 0.3605 0.0229 -0.0670 0.0327 321 ASN A CB 2175 C CG . ASN A 293 ? 0.7098 0.4289 0.2963 0.0293 -0.0489 0.0325 321 ASN A CG 2176 O OD1 . ASN A 293 ? 0.8633 0.5545 0.4264 0.0379 -0.0480 0.0376 321 ASN A OD1 2177 N ND2 . ASN A 293 ? 0.5555 0.3035 0.1817 0.0247 -0.0353 0.0270 321 ASN A ND2 2178 N N . TRP A 294 ? 0.8055 0.5722 0.3934 0.0310 -0.1288 0.0430 322 TRP A N 2179 C CA . TRP A 294 ? 0.8481 0.6598 0.4719 0.0363 -0.1471 0.0472 322 TRP A CA 2180 C C . TRP A 294 ? 0.9401 0.7511 0.5691 0.0523 -0.1429 0.0508 322 TRP A C 2181 O O . TRP A 294 ? 0.9697 0.7414 0.5681 0.0609 -0.1324 0.0535 322 TRP A O 2182 C CB . TRP A 294 ? 0.9256 0.7432 0.5449 0.0361 -0.1659 0.0532 322 TRP A CB 2183 C CG . TRP A 294 ? 0.8908 0.7179 0.5120 0.0214 -0.1752 0.0503 322 TRP A CG 2184 C CD1 . TRP A 294 ? 1.0420 0.8380 0.6296 0.0154 -0.1798 0.0500 322 TRP A CD1 2185 C CD2 . TRP A 294 ? 0.8481 0.7157 0.5047 0.0113 -0.1808 0.0472 322 TRP A CD2 2186 N NE1 . TRP A 294 ? 1.0618 0.8734 0.6597 0.0019 -0.1884 0.0466 322 TRP A NE1 2187 C CE2 . TRP A 294 ? 0.9691 0.8249 0.6098 -0.0008 -0.1885 0.0450 322 TRP A CE2 2188 C CE3 . TRP A 294 ? 0.7661 0.6768 0.4650 0.0116 -0.1793 0.0458 322 TRP A CE3 2189 C CZ2 . TRP A 294 ? 0.9462 0.8296 0.6113 -0.0125 -0.1943 0.0418 322 TRP A CZ2 2190 C CZ3 . TRP A 294 ? 0.7337 0.6748 0.4586 0.0005 -0.1841 0.0428 322 TRP A CZ3 2191 C CH2 . TRP A 294 ? 0.8364 0.7626 0.5439 -0.0115 -0.1913 0.0408 322 TRP A CH2 2192 N N . GLU A 295 ? 1.0072 0.8612 0.6764 0.0568 -0.1488 0.0504 323 GLU A N 2193 C CA . GLU A 295 ? 1.0358 0.8997 0.7255 0.0721 -0.1422 0.0524 323 GLU A CA 2194 C C . GLU A 295 ? 1.1993 1.0562 0.8729 0.0862 -0.1603 0.0640 323 GLU A C 2195 O O . GLU A 295 ? 1.1742 1.0428 0.8488 0.0787 -0.1742 0.0683 323 GLU A O 2196 C CB . GLU A 295 ? 0.9415 0.8571 0.6832 0.0730 -0.1414 0.0485 323 GLU A CB 2197 C CG . GLU A 295 ? 0.8192 0.7384 0.5781 0.0649 -0.1193 0.0375 323 GLU A CG 2198 C CD . GLU A 295 ? 0.7693 0.7386 0.5745 0.0646 -0.1201 0.0338 323 GLU A CD 2199 O OE1 . GLU A 295 ? 0.9233 0.9216 0.7500 0.0753 -0.1319 0.0397 323 GLU A OE1 2200 O OE2 . GLU A 295 ? 0.5631 0.5437 0.3832 0.0544 -0.1086 0.0261 323 GLU A OE2 2201 N N . SER A 296 ? 0.9525 0.8001 0.6296 0.1022 -0.1509 0.0668 324 SER A N 2202 C CA . SER A 296 ? 1.1714 1.0007 0.8265 0.1182 -0.1618 0.0784 324 SER A CA 2203 C C . SER A 296 ? 1.2550 1.1262 0.9359 0.1146 -0.1830 0.0861 324 SER A C 2204 O O . SER A 296 ? 1.4570 1.3150 1.1167 0.1087 -0.1917 0.0905 324 SER A O 2205 C CB . SER A 296 ? 1.3196 1.1488 0.9914 0.1360 -0.1486 0.0794 324 SER A CB 2206 O OG . SER A 296 ? 1.4169 1.2977 1.1366 0.1405 -0.1528 0.0785 324 SER A OG 2207 N N . ASP A 297 ? 1.0055 0.9282 0.7324 0.1179 -0.1904 0.0883 325 ASP A N 2208 C CA . ASP A 297 ? 1.1537 1.1217 0.9107 0.1141 -0.2085 0.0984 325 ASP A CA 2209 C C . ASP A 297 ? 1.1209 1.1184 0.8940 0.0920 -0.2159 0.0944 325 ASP A C 2210 O O . ASP A 297 ? 1.2118 1.2555 1.0162 0.0882 -0.2282 0.1022 325 ASP A O 2211 C CB . ASP A 297 ? 1.2580 1.2658 1.0575 0.1305 -0.2101 0.1058 325 ASP A CB 2212 C CG . ASP A 297 ? 1.4714 1.4646 1.2606 0.1508 -0.2126 0.1174 325 ASP A CG 2213 O OD1 . ASP A 297 ? 1.5653 1.5813 1.3653 0.1491 -0.2285 0.1301 325 ASP A OD1 2214 O OD2 . ASP A 297 ? 1.5107 1.4692 1.2799 0.1682 -0.1981 0.1145 325 ASP A OD2 2215 N N . GLN A 298 ? 1.1795 1.1524 0.9326 0.0786 -0.2068 0.0829 326 GLN A N 2216 C CA . GLN A 298 ? 1.0914 1.0878 0.8582 0.0598 -0.2110 0.0778 326 GLN A CA 2217 C C . GLN A 298 ? 1.0668 1.0265 0.7934 0.0480 -0.2143 0.0745 326 GLN A C 2218 O O . GLN A 298 ? 1.0808 0.9918 0.7671 0.0514 -0.2067 0.0730 326 GLN A O 2219 C CB . GLN A 298 ? 0.9292 0.9295 0.7086 0.0531 -0.1979 0.0676 326 GLN A CB 2220 C CG . GLN A 298 ? 0.9434 0.9774 0.7609 0.0644 -0.1939 0.0686 326 GLN A CG 2221 C CD . GLN A 298 ? 0.9593 1.0478 0.8216 0.0552 -0.1967 0.0687 326 GLN A CD 2222 O OE1 . GLN A 298 ? 1.0039 1.1018 0.8660 0.0435 -0.2013 0.0650 326 GLN A OE1 2223 N NE2 . GLN A 298 ? 0.8859 1.0027 0.7838 0.0625 -0.1928 0.0706 326 GLN A NE2 2224 N N . PRO A 299 ? 0.9372 0.9171 0.6731 0.0350 -0.2244 0.0728 327 PRO A N 2225 C CA . PRO A 299 ? 1.0029 1.0368 0.7829 0.0309 -0.2319 0.0731 327 PRO A CA 2226 C C . PRO A 299 ? 1.2108 1.2875 1.0195 0.0436 -0.2448 0.0839 327 PRO A C 2227 O O . PRO A 299 ? 1.2347 1.3025 1.0255 0.0477 -0.2563 0.0914 327 PRO A O 2228 C CB . PRO A 299 ? 0.9464 0.9667 0.7098 0.0136 -0.2393 0.0671 327 PRO A CB 2229 C CG . PRO A 299 ? 0.8884 0.8498 0.6016 0.0088 -0.2322 0.0631 327 PRO A CG 2230 C CD . PRO A 299 ? 0.9140 0.8547 0.6095 0.0240 -0.2281 0.0691 327 PRO A CD 2231 N N . ASP A 300 ? 0.9942 1.1159 0.8459 0.0514 -0.2422 0.0842 328 ASP A N 2232 C CA . ASP A 300 ? 1.2170 1.3814 1.1004 0.0646 -0.2537 0.0898 328 ASP A CA 2233 C C . ASP A 300 ? 1.2546 1.4402 1.1631 0.0528 -0.2612 0.0809 328 ASP A C 2234 O O . ASP A 300 ? 1.2112 1.3816 1.1109 0.0350 -0.2564 0.0732 328 ASP A O 2235 C CB . ASP A 300 ? 1.2584 1.4410 1.1690 0.0842 -0.2437 0.0935 328 ASP A CB 2236 C CG . ASP A 300 ? 1.2047 1.3866 1.1363 0.0819 -0.2321 0.0801 328 ASP A CG 2237 O OD1 . ASP A 300 ? 1.1236 1.2987 1.0463 0.0656 -0.2274 0.0730 328 ASP A OD1 2238 O OD2 . ASP A 300 ? 1.2531 1.4221 1.2126 0.0877 -0.2366 0.0809 328 ASP A OD2 2239 N N . ASN A 301 ? 1.3230 1.5402 1.2639 0.0613 -0.2731 0.0839 329 ASN A N 2240 C CA . ASN A 301 ? 1.2854 1.5271 1.2583 0.0483 -0.2798 0.0805 329 ASN A CA 2241 C C . ASN A 301 ? 1.2668 1.4923 1.2177 0.0245 -0.2849 0.0769 329 ASN A C 2242 O O . ASN A 301 ? 1.2119 1.4337 1.1695 0.0107 -0.2765 0.0699 329 ASN A O 2243 C CB . ASN A 301 ? 1.1081 1.3621 1.1141 0.0483 -0.2661 0.0746 329 ASN A CB 2244 C CG . ASN A 301 ? 1.1330 1.4015 1.1685 0.0670 -0.2643 0.0800 329 ASN A CG 2245 O OD1 . ASN A 301 ? 0.9840 1.2384 1.0201 0.0740 -0.2522 0.0784 329 ASN A OD1 2246 N ND2 . ASN A 301 ? 1.2846 1.5810 1.3471 0.0729 -0.2763 0.0885 329 ASN A ND2 2247 N N . PRO A 302 ? 1.2602 1.4720 1.1834 0.0193 -0.2993 0.0818 330 PRO A N 2248 C CA . PRO A 302 ? 1.2518 1.4322 1.1437 -0.0029 -0.3033 0.0772 330 PRO A CA 2249 C C . PRO A 302 ? 1.3057 1.5010 1.2199 -0.0212 -0.3084 0.0738 330 PRO A C 2250 O O . PRO A 302 ? 1.2791 1.4502 1.1785 -0.0360 -0.3005 0.0670 330 PRO A O 2251 C CB . PRO A 302 ? 1.3911 1.5572 1.2532 -0.0022 -0.3205 0.0842 330 PRO A CB 2252 C CG . PRO A 302 ? 1.4766 1.6817 1.3679 0.0166 -0.3298 0.0933 330 PRO A CG 2253 C CD . PRO A 302 ? 1.3780 1.5984 1.2949 0.0338 -0.3128 0.0918 330 PRO A CD 2254 N N . SER A 303 ? 1.3512 1.5844 1.3004 -0.0210 -0.3211 0.0794 331 SER A N 2255 C CA . SER A 303 ? 1.4442 1.6917 1.4152 -0.0399 -0.3255 0.0783 331 SER A CA 2256 C C . SER A 303 ? 1.3183 1.5816 1.3206 -0.0384 -0.3073 0.0739 331 SER A C 2257 O O . SER A 303 ? 1.1779 1.4461 1.1929 -0.0547 -0.3064 0.0725 331 SER A O 2258 C CB . SER A 303 ? 1.6471 1.9308 1.6464 -0.0420 -0.3454 0.0873 331 SER A CB 2259 O OG . SER A 303 ? 1.6885 1.9838 1.7062 -0.0627 -0.3505 0.0877 331 SER A OG 2260 N N . GLU A 304 ? 1.2869 1.5560 1.2999 -0.0197 -0.2932 0.0722 332 GLU A N 2261 C CA . GLU A 304 ? 1.3261 1.6085 1.3673 -0.0170 -0.2760 0.0683 332 GLU A CA 2262 C C . GLU A 304 ? 1.0274 1.2784 1.0440 -0.0229 -0.2603 0.0596 332 GLU A C 2263 O O . GLU A 304 ? 1.0444 1.2933 1.0671 -0.0364 -0.2538 0.0562 332 GLU A O 2264 C CB . GLU A 304 ? 1.5395 1.8417 1.6054 0.0050 -0.2703 0.0715 332 GLU A CB 2265 C CG . GLU A 304 ? 1.9062 2.2359 1.9923 0.0145 -0.2860 0.0814 332 GLU A CG 2266 C CD . GLU A 304 ? 2.1490 2.5123 2.2701 0.0024 -0.2937 0.0871 332 GLU A CD 2267 O OE1 . GLU A 304 ? 2.1059 2.4773 2.2453 -0.0072 -0.2825 0.0843 332 GLU A OE1 2268 O OE2 . GLU A 304 ? 2.3764 2.7588 2.5065 0.0025 -0.3112 0.0953 332 GLU A OE2 2269 N N . GLU A 305 ? 1.4822 1.7086 1.4707 -0.0129 -0.2540 0.0570 333 GLU A N 2270 C CA . GLU A 305 ? 1.0263 1.2283 0.9978 -0.0147 -0.2373 0.0499 333 GLU A CA 2271 C C . GLU A 305 ? 0.9000 1.0619 0.8272 -0.0280 -0.2391 0.0475 333 GLU A C 2272 O O . GLU A 305 ? 0.9221 1.0605 0.8182 -0.0234 -0.2426 0.0496 333 GLU A O 2273 C CB . GLU A 305 ? 0.8643 1.0644 0.8350 0.0039 -0.2285 0.0498 333 GLU A CB 2274 C CG . GLU A 305 ? 0.7839 1.0134 0.7955 0.0164 -0.2247 0.0516 333 GLU A CG 2275 C CD . GLU A 305 ? 0.8543 1.0750 0.8613 0.0337 -0.2195 0.0532 333 GLU A CD 2276 O OE1 . GLU A 305 ? 0.9798 1.1832 0.9569 0.0410 -0.2246 0.0563 333 GLU A OE1 2277 O OE2 . GLU A 305 ? 0.7773 1.0076 0.8094 0.0384 -0.2093 0.0532 333 GLU A OE2 2278 N N . ASN A 306 ? 0.8062 0.9560 0.7288 -0.0441 -0.2358 0.0436 334 ASN A N 2279 C CA . ASN A 306 ? 0.9238 1.0319 0.8050 -0.0588 -0.2394 0.0415 334 ASN A CA 2280 C C . ASN A 306 ? 0.7932 0.8673 0.6481 -0.0609 -0.2231 0.0356 334 ASN A C 2281 O O . ASN A 306 ? 0.8245 0.8581 0.6417 -0.0717 -0.2243 0.0334 334 ASN A O 2282 C CB . ASN A 306 ? 1.1470 1.2591 1.0354 -0.0768 -0.2493 0.0425 334 ASN A CB 2283 C CG . ASN A 306 ? 1.3749 1.5179 1.2863 -0.0775 -0.2672 0.0491 334 ASN A CG 2284 O OD1 . ASN A 306 ? 1.3919 1.5612 1.3229 -0.0622 -0.2701 0.0529 334 ASN A OD1 2285 N ND2 . ASN A 306 ? 1.5195 1.6586 1.4279 -0.0954 -0.2797 0.0510 334 ASN A ND2 2286 N N . CYS A 307 ? 0.8752 0.9622 0.7474 -0.0512 -0.2082 0.0330 335 CYS A N 2287 C CA . CYS A 307 ? 0.7925 0.8527 0.6450 -0.0544 -0.1929 0.0280 335 CYS A CA 2288 C C . CYS A 307 ? 0.6367 0.6936 0.4849 -0.0410 -0.1824 0.0273 335 CYS A C 2289 O O . CYS A 307 ? 0.6999 0.7874 0.5767 -0.0293 -0.1816 0.0288 335 CYS A O 2290 C CB . CYS A 307 ? 0.7374 0.8162 0.6163 -0.0608 -0.1844 0.0256 335 CYS A CB 2291 S SG . CYS A 307 ? 0.9706 1.0436 0.8475 -0.0804 -0.1942 0.0271 335 CYS A SG 2292 N N . GLY A 308 ? 0.7826 0.7990 0.5934 -0.0429 -0.1735 0.0249 336 GLY A N 2293 C CA . GLY A 308 ? 0.6999 0.7060 0.5006 -0.0322 -0.1640 0.0250 336 GLY A CA 2294 C C . GLY A 308 ? 0.5884 0.6105 0.4088 -0.0303 -0.1500 0.0215 336 GLY A C 2295 O O . GLY A 308 ? 0.5035 0.5310 0.3330 -0.0381 -0.1438 0.0185 336 GLY A O 2296 N N . VAL A 309 ? 0.6684 0.6974 0.4946 -0.0200 -0.1459 0.0224 337 VAL A N 2297 C CA . VAL A 309 ? 0.4862 0.5257 0.3250 -0.0188 -0.1333 0.0193 337 VAL A CA 2298 C C . VAL A 309 ? 0.5648 0.5699 0.3770 -0.0115 -0.1210 0.0179 337 VAL A C 2299 O O . VAL A 309 ? 0.7097 0.6891 0.4959 -0.0054 -0.1275 0.0214 337 VAL A O 2300 C CB . VAL A 309 ? 0.4780 0.5656 0.3635 -0.0114 -0.1342 0.0196 337 VAL A CB 2301 C CG1 . VAL A 309 ? 0.4708 0.5839 0.3874 -0.0150 -0.1386 0.0190 337 VAL A CG1 2302 C CG2 . VAL A 309 ? 0.4888 0.5820 0.3766 0.0016 -0.1420 0.0244 337 VAL A CG2 2303 N N . ILE A 310 ? 0.6000 0.6063 0.4235 -0.0112 -0.1003 0.0127 338 ILE A N 2304 C CA . ILE A 310 ? 0.6284 0.6129 0.4429 -0.0040 -0.0838 0.0104 338 ILE A CA 2305 C C . ILE A 310 ? 0.5828 0.6019 0.4357 0.0014 -0.0772 0.0067 338 ILE A C 2306 O O . ILE A 310 ? 0.4461 0.4992 0.3281 -0.0024 -0.0763 0.0043 338 ILE A O 2307 C CB . ILE A 310 ? 0.5437 0.4977 0.3368 -0.0092 -0.0650 0.0085 338 ILE A CB 2308 C CG1 . ILE A 310 ? 0.5535 0.4842 0.3375 -0.0034 -0.0488 0.0078 338 ILE A CG1 2309 C CG2 . ILE A 310 ? 0.3826 0.3629 0.2023 -0.0157 -0.0548 0.0053 338 ILE A CG2 2310 C CD1 . ILE A 310 ? 0.5728 0.4710 0.3331 -0.0070 -0.0300 0.0086 338 ILE A CD1 2311 N N . ARG A 311 ? 0.6371 0.6461 0.4881 0.0107 -0.0732 0.0062 339 ARG A N 2312 C CA . ARG A 311 ? 0.5624 0.5995 0.4448 0.0158 -0.0674 0.0017 339 ARG A CA 2313 C C . ARG A 311 ? 0.5588 0.5728 0.4344 0.0173 -0.0507 -0.0025 339 ARG A C 2314 O O . ARG A 311 ? 0.5907 0.5679 0.4388 0.0199 -0.0466 0.0000 339 ARG A O 2315 C CB . ARG A 311 ? 0.4850 0.5439 0.3821 0.0268 -0.0808 0.0052 339 ARG A CB 2316 C CG . ARG A 311 ? 0.7343 0.7670 0.6081 0.0367 -0.0881 0.0109 339 ARG A CG 2317 C CD . ARG A 311 ? 1.0065 1.0579 0.8995 0.0514 -0.0909 0.0123 339 ARG A CD 2318 N NE . ARG A 311 ? 1.1685 1.2562 1.0827 0.0558 -0.1078 0.0192 339 ARG A NE 2319 C CZ . ARG A 311 ? 1.2334 1.3627 1.1811 0.0554 -0.1086 0.0181 339 ARG A CZ 2320 N NH1 . ARG A 311 ? 1.2234 1.3624 1.1848 0.0512 -0.0945 0.0095 339 ARG A NH1 2321 N NH2 . ARG A 311 ? 1.2509 1.4136 1.2190 0.0591 -0.1236 0.0263 339 ARG A NH2 2322 N N . THR A 312 ? 0.5682 0.6036 0.4682 0.0142 -0.0413 -0.0087 340 THR A N 2323 C CA . THR A 312 ? 0.5581 0.5761 0.4563 0.0131 -0.0272 -0.0133 340 THR A CA 2324 C C . THR A 312 ? 0.6709 0.6765 0.5642 0.0242 -0.0291 -0.0142 340 THR A C 2325 O O . THR A 312 ? 0.6312 0.6057 0.5094 0.0244 -0.0196 -0.0152 340 THR A O 2326 C CB . THR A 312 ? 0.5566 0.6033 0.4817 0.0059 -0.0198 -0.0194 340 THR A CB 2327 O OG1 . THR A 312 ? 0.6116 0.6903 0.5575 0.0117 -0.0281 -0.0221 340 THR A OG1 2328 C CG2 . THR A 312 ? 0.4548 0.5123 0.3839 -0.0028 -0.0170 -0.0170 340 THR A CG2 2329 N N . GLU A 313 ? 0.6946 0.7232 0.6005 0.0338 -0.0404 -0.0129 341 GLU A N 2330 C CA . GLU A 313 ? 0.7756 0.7938 0.6772 0.0476 -0.0422 -0.0124 341 GLU A CA 2331 C C . GLU A 313 ? 0.7904 0.7663 0.6605 0.0527 -0.0418 -0.0066 341 GLU A C 2332 O O . GLU A 313 ? 0.8264 0.7775 0.6857 0.0602 -0.0352 -0.0079 341 GLU A O 2333 C CB . GLU A 313 ? 0.8604 0.9126 0.7804 0.0580 -0.0555 -0.0078 341 GLU A CB 2334 C CG . GLU A 313 ? 1.0946 1.1399 1.0115 0.0759 -0.0585 -0.0041 341 GLU A CG 2335 C CD . GLU A 313 ? 1.2503 1.3380 1.1941 0.0861 -0.0685 0.0007 341 GLU A CD 2336 O OE1 . GLU A 313 ? 1.2595 1.3812 1.2256 0.0785 -0.0702 -0.0014 341 GLU A OE1 2337 O OE2 . GLU A 313 ? 1.3511 1.4388 1.2946 0.1023 -0.0738 0.0075 341 GLU A OE2 2338 N N . SER A 314 ? 0.7486 0.7123 0.6004 0.0487 -0.0482 -0.0004 342 SER A N 2339 C CA . SER A 314 ? 0.8089 0.7314 0.6263 0.0535 -0.0487 0.0061 342 SER A CA 2340 C C . SER A 314 ? 0.7740 0.6650 0.5708 0.0428 -0.0343 0.0052 342 SER A C 2341 O O . SER A 314 ? 0.7476 0.6063 0.5125 0.0442 -0.0354 0.0113 342 SER A O 2342 C CB . SER A 314 ? 0.7445 0.6719 0.5502 0.0574 -0.0675 0.0145 342 SER A CB 2343 O OG . SER A 314 ? 0.6374 0.5689 0.4379 0.0448 -0.0703 0.0143 342 SER A OG 2344 N N . SER A 315 ? 0.6930 0.5938 0.5072 0.0325 -0.0211 -0.0014 343 SER A N 2345 C CA . SER A 315 ? 0.7004 0.5765 0.5012 0.0228 -0.0054 -0.0007 343 SER A CA 2346 C C . SER A 315 ? 0.7295 0.5939 0.5086 0.0193 -0.0080 0.0047 343 SER A C 2347 O O . SER A 315 ? 0.6631 0.4938 0.4166 0.0170 0.0035 0.0087 343 SER A O 2348 C CB . SER A 315 ? 0.7925 0.6277 0.5715 0.0263 0.0053 0.0015 343 SER A CB 2349 O OG . SER A 315 ? 0.9406 0.7811 0.7375 0.0260 0.0110 -0.0050 343 SER A OG 2350 N N . GLY A 316 ? 0.6801 0.5704 0.4679 0.0186 -0.0220 0.0049 344 GLY A N 2351 C CA . GLY A 316 ? 0.6943 0.5735 0.4616 0.0135 -0.0247 0.0083 344 GLY A CA 2352 C C . GLY A 316 ? 0.6736 0.5390 0.4143 0.0184 -0.0432 0.0137 344 GLY A C 2353 O O . GLY A 316 ? 0.6497 0.4976 0.3654 0.0135 -0.0462 0.0160 344 GLY A O 2354 N N . GLY A 317 ? 0.6550 0.5258 0.3984 0.0281 -0.0557 0.0162 345 GLY A N 2355 C CA . GLY A 317 ? 0.6367 0.4994 0.3581 0.0325 -0.0759 0.0227 345 GLY A CA 2356 C C . GLY A 317 ? 0.6956 0.5923 0.4346 0.0258 -0.0927 0.0227 345 GLY A C 2357 O O . GLY A 317 ? 0.5911 0.5221 0.3633 0.0207 -0.0895 0.0182 345 GLY A O 2358 N N . TRP A 318 ? 0.6341 0.5200 0.3491 0.0252 -0.1116 0.0284 346 TRP A N 2359 C CA . TRP A 318 ? 0.6844 0.5966 0.4106 0.0162 -0.1296 0.0295 346 TRP A CA 2360 C C . TRP A 318 ? 0.7985 0.7431 0.5460 0.0234 -0.1513 0.0362 346 TRP A C 2361 O O . TRP A 318 ? 0.8247 0.7562 0.5591 0.0340 -0.1572 0.0421 346 TRP A O 2362 C CB . TRP A 318 ? 0.7222 0.6009 0.4111 0.0070 -0.1331 0.0301 346 TRP A CB 2363 C CG . TRP A 318 ? 0.6430 0.4800 0.2987 0.0037 -0.1128 0.0266 346 TRP A CG 2364 C CD1 . TRP A 318 ? 0.5030 0.3424 0.1741 0.0045 -0.0902 0.0223 346 TRP A CD1 2365 C CD2 . TRP A 318 ? 0.7281 0.5246 0.3480 -0.0005 -0.1068 0.0264 346 TRP A CD2 2366 N NE1 . TRP A 318 ? 0.5662 0.3659 0.2040 0.0016 -0.0733 0.0218 346 TRP A NE1 2367 C CE2 . TRP A 318 ? 0.7355 0.5057 0.3383 -0.0008 -0.0831 0.0241 346 TRP A CE2 2368 C CE3 . TRP A 318 ? 0.8323 0.6126 0.4331 -0.0041 -0.1188 0.0281 346 TRP A CE3 2369 C CZ2 . TRP A 318 ? 0.8041 0.5330 0.3740 -0.0027 -0.0702 0.0237 346 TRP A CZ2 2370 C CZ3 . TRP A 318 ? 0.9497 0.6852 0.5130 -0.0068 -0.1078 0.0264 346 TRP A CZ3 2371 C CH2 . TRP A 318 ? 0.9675 0.6778 0.5164 -0.0053 -0.0832 0.0244 346 TRP A CH2 2372 N N . GLN A 319 ? 0.5503 0.5417 0.3386 0.0177 -0.1575 0.0358 347 GLN A N 2373 C CA . GLN A 319 ? 0.6935 0.7261 0.5138 0.0212 -0.1710 0.0423 347 GLN A CA 2374 C C . GLN A 319 ? 0.7457 0.7950 0.5770 0.0083 -0.1761 0.0400 347 GLN A C 2375 O O . GLN A 319 ? 0.6526 0.6892 0.4760 -0.0026 -0.1684 0.0339 347 GLN A O 2376 C CB . GLN A 319 ? 0.8367 0.9119 0.6991 0.0305 -0.1698 0.0435 347 GLN A CB 2377 C CG . GLN A 319 ? 0.9950 1.0559 0.8531 0.0475 -0.1614 0.0426 347 GLN A CG 2378 C CD . GLN A 319 ? 1.0995 1.2035 1.0013 0.0568 -0.1560 0.0420 347 GLN A CD 2379 O OE1 . GLN A 319 ? 1.1456 1.2855 1.0791 0.0492 -0.1602 0.0432 347 GLN A OE1 2380 N NE2 . GLN A 319 ? 1.1615 1.2556 1.0645 0.0714 -0.1438 0.0403 347 GLN A NE2 2381 N N . ASN A 320 ? 0.5963 0.6723 0.4458 0.0107 -0.1890 0.0447 348 ASN A N 2382 C CA . ASN A 320 ? 0.7023 0.7958 0.5685 0.0002 -0.1948 0.0414 348 ASN A CA 2383 C C . ASN A 320 ? 0.7647 0.9005 0.6775 0.0068 -0.1941 0.0398 348 ASN A C 2384 O O . ASN A 320 ? 0.7556 0.9077 0.6863 0.0215 -0.1942 0.0424 348 ASN A O 2385 C CB . ASN A 320 ? 1.0057 1.0929 0.8574 -0.0042 -0.2109 0.0460 348 ASN A CB 2386 C CG . ASN A 320 ? 1.1372 1.2516 1.0063 0.0101 -0.2218 0.0541 348 ASN A CG 2387 O OD1 . ASN A 320 ? 1.0613 1.1874 0.9418 0.0248 -0.2167 0.0575 348 ASN A OD1 2388 N ND2 . ASN A 320 ? 1.3235 1.4468 1.1936 0.0058 -0.2374 0.0577 348 ASN A ND2 2389 N N . ARG A 321 ? 0.9497 1.0955 0.8798 -0.0043 -0.1921 0.0356 349 ARG A N 2390 C CA . ARG A 321 ? 0.8491 1.0262 0.8213 -0.0011 -0.1893 0.0348 349 ARG A CA 2391 C C . ARG A 321 ? 0.8356 1.0253 0.8218 -0.0143 -0.1951 0.0355 349 ARG A C 2392 O O . ARG A 321 ? 0.8429 1.0132 0.8056 -0.0274 -0.1994 0.0347 349 ARG A O 2393 C CB . ARG A 321 ? 0.6405 0.8172 0.6233 -0.0010 -0.1734 0.0303 349 ARG A CB 2394 C CG . ARG A 321 ? 0.5590 0.7269 0.5337 0.0100 -0.1682 0.0311 349 ARG A CG 2395 C CD . ARG A 321 ? 0.6279 0.8180 0.6312 0.0219 -0.1704 0.0370 349 ARG A CD 2396 N NE . ARG A 321 ? 0.6167 0.8230 0.6419 0.0236 -0.1542 0.0356 349 ARG A NE 2397 C CZ . ARG A 321 ? 0.7003 0.9005 0.7139 0.0285 -0.1439 0.0334 349 ARG A CZ 2398 N NH1 . ARG A 321 ? 0.6435 0.8186 0.6237 0.0313 -0.1482 0.0343 349 ARG A NH1 2399 N NH2 . ARG A 321 ? 0.7737 0.9919 0.8058 0.0318 -0.1286 0.0291 349 ARG A NH2 2400 N N . ASP A 322 ? 0.7267 0.9466 0.7502 -0.0116 -0.1952 0.0380 350 ASP A N 2401 C CA . ASP A 322 ? 0.7920 1.0262 0.8318 -0.0247 -0.1985 0.0396 350 ASP A CA 2402 C C . ASP A 322 ? 0.6390 0.8585 0.6700 -0.0361 -0.1870 0.0350 350 ASP A C 2403 O O . ASP A 322 ? 0.5290 0.7508 0.5698 -0.0316 -0.1728 0.0321 350 ASP A O 2404 C CB . ASP A 322 ? 0.8062 1.0750 0.8871 -0.0188 -0.1967 0.0442 350 ASP A CB 2405 C CG . ASP A 322 ? 0.9641 1.2487 1.0631 -0.0326 -0.1976 0.0468 350 ASP A CG 2406 O OD1 . ASP A 322 ? 0.9509 1.2232 1.0330 -0.0471 -0.2063 0.0471 350 ASP A OD1 2407 O OD2 . ASP A 322 ? 1.1376 1.4456 1.2664 -0.0294 -0.1893 0.0495 350 ASP A OD2 2408 N N . CYS A 323 ? 0.6782 0.8822 0.6906 -0.0514 -0.1936 0.0353 351 CYS A N 2409 C CA . CYS A 323 ? 0.7095 0.8925 0.7054 -0.0620 -0.1841 0.0318 351 CYS A CA 2410 C C . CYS A 323 ? 0.6621 0.8649 0.6861 -0.0644 -0.1728 0.0323 351 CYS A C 2411 O O . CYS A 323 ? 0.6531 0.8419 0.6662 -0.0708 -0.1634 0.0300 351 CYS A O 2412 C CB . CYS A 323 ? 0.8054 0.9631 0.7732 -0.0790 -0.1953 0.0331 351 CYS A CB 2413 S SG . CYS A 323 ? 0.9221 1.0498 0.8505 -0.0777 -0.2078 0.0331 351 CYS A SG 2414 N N . SER A 324 ? 0.6938 0.9274 0.7514 -0.0596 -0.1731 0.0360 352 SER A N 2415 C CA . SER A 324 ? 0.6347 0.8850 0.7154 -0.0626 -0.1621 0.0375 352 SER A CA 2416 C C . SER A 324 ? 0.5173 0.7758 0.6116 -0.0495 -0.1463 0.0349 352 SER A C 2417 O O . SER A 324 ? 0.5245 0.7924 0.6322 -0.0509 -0.1351 0.0357 352 SER A O 2418 C CB . SER A 324 ? 0.7414 1.0194 0.8494 -0.0666 -0.1699 0.0442 352 SER A CB 2419 O OG . SER A 324 ? 0.7904 1.0882 0.9170 -0.0534 -0.1732 0.0465 352 SER A OG 2420 N N . ILE A 325 ? 0.6464 0.9002 0.7357 -0.0376 -0.1454 0.0325 353 ILE A N 2421 C CA . ILE A 325 ? 0.6507 0.9100 0.7503 -0.0277 -0.1309 0.0306 353 ILE A CA 2422 C C . ILE A 325 ? 0.4836 0.7264 0.5671 -0.0322 -0.1195 0.0264 353 ILE A C 2423 O O . ILE A 325 ? 0.4929 0.7156 0.5527 -0.0397 -0.1235 0.0245 353 ILE A O 2424 C CB . ILE A 325 ? 0.7657 1.0243 0.8634 -0.0153 -0.1338 0.0305 353 ILE A CB 2425 C CG1 . ILE A 325 ? 0.7589 0.9913 0.8256 -0.0160 -0.1379 0.0270 353 ILE A CG1 2426 C CG2 . ILE A 325 ? 0.9076 1.1829 1.0198 -0.0105 -0.1466 0.0359 353 ILE A CG2 2427 C CD1 . ILE A 325 ? 0.7809 1.0111 0.8428 -0.0042 -0.1422 0.0285 353 ILE A CD1 2428 N N . ALA A 326 ? 0.5697 0.8211 0.6647 -0.0279 -0.1051 0.0254 354 ALA A N 2429 C CA . ALA A 326 ? 0.4503 0.6916 0.5340 -0.0318 -0.0938 0.0225 354 ALA A CA 2430 C C . ALA A 326 ? 0.4227 0.6558 0.4957 -0.0252 -0.0877 0.0184 354 ALA A C 2431 O O . ALA A 326 ? 0.4928 0.7355 0.5755 -0.0163 -0.0821 0.0175 354 ALA A O 2432 C CB . ALA A 326 ? 0.2416 0.4956 0.3397 -0.0314 -0.0821 0.0239 354 ALA A CB 2433 N N . LEU A 327 ? 0.4297 0.6457 0.4812 -0.0303 -0.0885 0.0162 355 LEU A N 2434 C CA . LEU A 327 ? 0.4394 0.6482 0.4788 -0.0259 -0.0837 0.0126 355 LEU A CA 2435 C C . LEU A 327 ? 0.3426 0.5430 0.3684 -0.0322 -0.0753 0.0107 355 LEU A C 2436 O O . LEU A 327 ? 0.3080 0.5036 0.3284 -0.0405 -0.0760 0.0127 355 LEU A O 2437 C CB . LEU A 327 ? 0.5028 0.6968 0.5236 -0.0241 -0.0962 0.0129 355 LEU A CB 2438 C CG . LEU A 327 ? 0.5399 0.7430 0.5718 -0.0156 -0.1051 0.0156 355 LEU A CG 2439 C CD1 . LEU A 327 ? 0.5857 0.7691 0.5928 -0.0157 -0.1195 0.0171 355 LEU A CD1 2440 C CD2 . LEU A 327 ? 0.4863 0.7018 0.5284 -0.0056 -0.0961 0.0136 355 LEU A CD2 2441 N N . PRO A 328 ? 0.3120 0.5127 0.3325 -0.0290 -0.0673 0.0070 356 PRO A N 2442 C CA . PRO A 328 ? 0.2395 0.4325 0.2440 -0.0353 -0.0610 0.0059 356 PRO A CA 2443 C C . PRO A 328 ? 0.3000 0.4646 0.2697 -0.0419 -0.0705 0.0071 356 PRO A C 2444 O O . PRO A 328 ? 0.3553 0.5074 0.3157 -0.0406 -0.0824 0.0085 356 PRO A O 2445 C CB . PRO A 328 ? 0.2370 0.4405 0.2477 -0.0299 -0.0510 0.0013 356 PRO A CB 2446 C CG . PRO A 328 ? 0.2416 0.4512 0.2629 -0.0213 -0.0544 -0.0006 356 PRO A CG 2447 C CD . PRO A 328 ? 0.2264 0.4387 0.2587 -0.0199 -0.0615 0.0036 356 PRO A CD 2448 N N . TYR A 329 ? 0.2391 0.3825 0.1865 -0.0465 -0.0615 0.0069 357 TYR A N 2449 C CA . TYR A 329 ? 0.3155 0.4143 0.2232 -0.0511 -0.0646 0.0080 357 TYR A CA 2450 C C . TYR A 329 ? 0.2737 0.3449 0.1634 -0.0482 -0.0448 0.0071 357 TYR A C 2451 O O . TYR A 329 ? 0.2287 0.3190 0.1390 -0.0456 -0.0316 0.0071 357 TYR A O 2452 C CB . TYR A 329 ? 0.2938 0.3872 0.1921 -0.0622 -0.0759 0.0110 357 TYR A CB 2453 C CG . TYR A 329 ? 0.3904 0.4952 0.3013 -0.0656 -0.0650 0.0123 357 TYR A CG 2454 C CD1 . TYR A 329 ? 0.2613 0.4118 0.2111 -0.0646 -0.0647 0.0137 357 TYR A CD1 2455 C CD2 . TYR A 329 ? 0.4173 0.4859 0.2991 -0.0687 -0.0543 0.0130 357 TYR A CD2 2456 C CE1 . TYR A 329 ? 0.2702 0.4302 0.2298 -0.0671 -0.0550 0.0160 357 TYR A CE1 2457 C CE2 . TYR A 329 ? 0.3003 0.3780 0.1928 -0.0705 -0.0440 0.0155 357 TYR A CE2 2458 C CZ . TYR A 329 ? 0.2974 0.4208 0.2287 -0.0698 -0.0448 0.0172 357 TYR A CZ 2459 O OH . TYR A 329 ? 0.3260 0.4570 0.2658 -0.0705 -0.0342 0.0206 357 TYR A OH 2460 N N . VAL A 330 ? 0.2971 0.3240 0.1480 -0.0481 -0.0430 0.0074 358 VAL A N 2461 C CA . VAL A 330 ? 0.3048 0.3014 0.1351 -0.0444 -0.0228 0.0082 358 VAL A CA 2462 C C . VAL A 330 ? 0.4264 0.3840 0.2194 -0.0495 -0.0210 0.0099 358 VAL A C 2463 O O . VAL A 330 ? 0.5630 0.4935 0.3253 -0.0548 -0.0355 0.0093 358 VAL A O 2464 C CB . VAL A 330 ? 0.3433 0.3142 0.1542 -0.0385 -0.0175 0.0077 358 VAL A CB 2465 C CG1 . VAL A 330 ? 0.3337 0.2891 0.1394 -0.0339 0.0065 0.0100 358 VAL A CG1 2466 C CG2 . VAL A 330 ? 0.3438 0.3424 0.1802 -0.0347 -0.0259 0.0054 358 VAL A CG2 2467 N N . CYS A 331 ? 0.3540 0.3068 0.1477 -0.0476 -0.0034 0.0122 359 CYS A N 2468 C CA . CYS A 331 ? 0.4594 0.3668 0.2126 -0.0494 0.0046 0.0139 359 CYS A CA 2469 C C . CYS A 331 ? 0.6178 0.4902 0.3451 -0.0406 0.0260 0.0163 359 CYS A C 2470 O O . CYS A 331 ? 0.5791 0.4713 0.3306 -0.0338 0.0391 0.0181 359 CYS A O 2471 C CB . CYS A 331 ? 0.4225 0.3430 0.1900 -0.0511 0.0122 0.0166 359 CYS A CB 2472 S SG . CYS A 331 ? 0.5226 0.4839 0.3212 -0.0618 -0.0093 0.0157 359 CYS A SG 2473 N N . LYS A 332 ? 0.5475 0.3662 0.2237 -0.0414 0.0290 0.0163 360 LYS A N 2474 C CA . LYS A 332 ? 0.6004 0.3833 0.2544 -0.0316 0.0491 0.0186 360 LYS A CA 2475 C C . LYS A 332 ? 0.7081 0.4563 0.3402 -0.0294 0.0588 0.0188 360 LYS A C 2476 O O . LYS A 332 ? 0.7607 0.4906 0.3713 -0.0384 0.0450 0.0157 360 LYS A O 2477 C CB . LYS A 332 ? 0.6204 0.3757 0.2482 -0.0315 0.0388 0.0158 360 LYS A CB 2478 C CG . LYS A 332 ? 0.8192 0.5309 0.4204 -0.0230 0.0545 0.0167 360 LYS A CG 2479 C CD . LYS A 332 ? 0.8952 0.5894 0.4773 -0.0227 0.0441 0.0152 360 LYS A CD 2480 C CE . LYS A 332 ? 1.0233 0.6678 0.5707 -0.0159 0.0555 0.0152 360 LYS A CE 2481 N NZ . LYS A 332 ? 0.9580 0.5834 0.4821 -0.0175 0.0403 0.0136 360 LYS A NZ 2482 N N . LYS A 333 ? 0.7134 0.4537 0.3529 -0.0179 0.0817 0.0227 361 LYS A N 2483 C CA . LYS A 333 ? 0.8835 0.5795 0.4937 -0.0130 0.0923 0.0221 361 LYS A CA 2484 C C . LYS A 333 ? 0.9709 0.6507 0.5812 0.0003 0.1130 0.0254 361 LYS A C 2485 O O . LYS A 333 ? 0.8279 0.5400 0.4710 0.0053 0.1214 0.0297 361 LYS A O 2486 C CB . LYS A 333 ? 0.8371 0.5440 0.4603 -0.0123 0.0988 0.0247 361 LYS A CB 2487 C CG . LYS A 333 ? 0.7641 0.5097 0.4319 -0.0011 0.1171 0.0320 361 LYS A CG 2488 C CD . LYS A 333 ? 0.6666 0.4332 0.3527 -0.0019 0.1186 0.0352 361 LYS A CD 2489 C CE . LYS A 333 ? 0.6880 0.5053 0.4257 0.0067 0.1300 0.0426 361 LYS A CE 2490 N NZ . LYS A 333 ? 0.6838 0.5153 0.4369 0.0095 0.1344 0.0469 361 LYS A NZ 2491 N N . LYS A 334 ? 0.9331 0.5606 0.5046 0.0052 0.1207 0.0232 362 LYS A N 2492 C CA . LYS A 334 ? 1.0235 0.6264 0.5871 0.0186 0.1410 0.0263 362 LYS A CA 2493 C C . LYS A 334 ? 1.2817 0.8579 0.8331 0.0277 0.1567 0.0279 362 LYS A C 2494 O O . LYS A 334 ? 1.4133 0.9327 0.9175 0.0290 0.1589 0.0237 362 LYS A O 2495 C CB . LYS A 334 ? 0.9865 0.5437 0.5071 0.0173 0.1354 0.0219 362 LYS A CB 2496 C CG . LYS A 334 ? 1.1163 0.6983 0.6496 0.0113 0.1225 0.0215 362 LYS A CG 2497 C CD . LYS A 334 ? 1.2843 0.8224 0.7772 0.0122 0.1185 0.0186 362 LYS A CD 2498 C CE . LYS A 334 ? 1.4239 0.9300 0.8773 0.0008 0.0957 0.0126 362 LYS A CE 2499 N NZ . LYS A 334 ? 1.5441 1.0119 0.9608 0.0014 0.0894 0.0108 362 LYS A NZ 2500 N N . PRO A 335 ? 1.2091 0.8234 0.8008 0.0340 0.1671 0.0344 363 PRO A N 2501 C CA . PRO A 335 ? 1.3637 0.9536 0.9441 0.0429 0.1805 0.0365 363 PRO A CA 2502 C C . PRO A 335 ? 1.6092 1.1587 1.1694 0.0589 0.2021 0.0398 363 PRO A C 2503 O O . PRO A 335 ? 1.7575 1.2577 1.2808 0.0646 0.2107 0.0377 363 PRO A O 2504 C CB . PRO A 335 ? 1.1654 0.8150 0.8002 0.0454 0.1832 0.0439 363 PRO A CB 2505 C CG . PRO A 335 ? 1.0297 0.7270 0.7042 0.0435 0.1803 0.0475 363 PRO A CG 2506 C CD . PRO A 335 ? 1.0071 0.6863 0.6547 0.0333 0.1663 0.0403 363 PRO A CD 2507 N N . ASN A 336 ? 1.4425 1.0091 1.0241 0.0663 0.2119 0.0453 364 ASN A N 2508 C CA . ASN A 336 ? 1.6095 1.1433 1.1777 0.0826 0.2341 0.0507 364 ASN A CA 2509 C C . ASN A 336 ? 1.6563 1.1266 1.1676 0.0830 0.2351 0.0441 364 ASN A C 2510 O O . ASN A 336 ? 1.7680 1.2067 1.2636 0.0968 0.2541 0.0486 364 ASN A O 2511 C CB . ASN A 336 ? 1.6137 1.1936 1.2302 0.0891 0.2440 0.0607 364 ASN A CB 2512 C CG . ASN A 336 ? 1.5702 1.1966 1.2352 0.0957 0.2510 0.0706 364 ASN A CG 2513 O OD1 . ASN A 336 ? 1.6044 1.2312 1.2690 0.0963 0.2489 0.0702 364 ASN A OD1 2514 N ND2 . ASN A 336 ? 1.4730 1.1382 1.1792 0.1000 0.2585 0.0800 364 ASN A ND2 2515 N N . ALA A 337 ? 1.5800 1.0315 1.0606 0.0685 0.2148 0.0348 365 ALA A N 2516 C CA . ALA A 337 ? 1.6704 1.0614 1.0950 0.0669 0.2117 0.0287 365 ALA A CA 2517 C C . ALA A 337 ? 1.8229 1.1502 1.1944 0.0671 0.2133 0.0237 365 ALA A C 2518 O O . ALA A 337 ? 1.9037 1.1719 1.2231 0.0669 0.2125 0.0199 365 ALA A O 2519 C CB . ALA A 337 ? 1.5333 0.9356 0.9514 0.0509 0.1868 0.0228 365 ALA A CB 2520 N N . ARG A 367 ? 2.5079 0.9373 0.7237 0.0141 -0.1617 0.0080 395 ARG A N 2521 C CA . ARG A 367 ? 2.5795 1.0084 0.7647 0.0046 -0.1992 0.0100 395 ARG A CA 2522 C C . ARG A 367 ? 2.5565 1.0492 0.7871 0.0110 -0.2121 0.0169 395 ARG A C 2523 O O . ARG A 367 ? 2.4559 0.9716 0.7208 0.0261 -0.1874 0.0199 395 ARG A O 2524 C CB . ARG A 367 ? 2.8070 1.1518 0.9036 0.0117 -0.1949 0.0090 395 ARG A CB 2525 C CG . ARG A 367 ? 2.8108 1.1405 0.8922 0.0338 -0.1732 0.0135 395 ARG A CG 2526 C CD . ARG A 367 ? 2.9142 1.2001 0.9270 0.0355 -0.1933 0.0157 395 ARG A CD 2527 N NE . ARG A 367 ? 3.0360 1.3495 1.0636 0.0502 -0.1913 0.0229 395 ARG A NE 2528 C CZ . ARG A 367 ? 3.0177 1.3075 1.0360 0.0709 -0.1565 0.0253 395 ARG A CZ 2529 N NH1 . ARG A 367 ? 3.0523 1.2932 1.0488 0.0801 -0.1207 0.0213 395 ARG A NH1 2530 N NH2 . ARG A 367 ? 2.9602 1.2758 0.9915 0.0828 -0.1570 0.0326 395 ARG A NH2 2531 N N . LEU A 368 ? 2.4209 0.9405 0.6499 -0.0004 -0.2505 0.0201 396 LEU A N 2532 C CA . LEU A 368 ? 2.4018 0.9962 0.6880 0.0017 -0.2678 0.0275 396 LEU A CA 2533 C C . LEU A 368 ? 2.4661 1.0477 0.7311 0.0214 -0.2573 0.0340 396 LEU A C 2534 O O . LEU A 368 ? 2.5331 1.0481 0.7359 0.0321 -0.2406 0.0328 396 LEU A O 2535 C CB . LEU A 368 ? 2.4127 1.0421 0.7058 -0.0172 -0.3128 0.0297 396 LEU A CB 2536 C CG . LEU A 368 ? 2.4276 1.1327 0.7703 -0.0183 -0.3416 0.0388 396 LEU A CG 2537 C CD1 . LEU A 368 ? 2.2873 1.0660 0.7142 -0.0184 -0.3348 0.0407 396 LEU A CD1 2538 C CD2 . LEU A 368 ? 2.6014 1.3173 0.9281 -0.0377 -0.3839 0.0397 396 LEU A CD2 2539 N N . GLN A 369 ? 2.3196 0.9656 0.6371 0.0267 -0.2669 0.0418 397 GLN A N 2540 C CA . GLN A 369 ? 2.3439 0.9894 0.6457 0.0424 -0.2676 0.0504 397 GLN A CA 2541 C C . GLN A 369 ? 2.3553 1.0677 0.6955 0.0356 -0.3050 0.0589 397 GLN A C 2542 O O . GLN A 369 ? 2.4233 1.2014 0.8321 0.0342 -0.3075 0.0621 397 GLN A O 2543 C CB . GLN A 369 ? 2.2910 0.9456 0.6228 0.0606 -0.2315 0.0530 397 GLN A CB 2544 C CG . GLN A 369 ? 2.3130 0.9090 0.6147 0.0689 -0.1923 0.0461 397 GLN A CG 2545 C CD . GLN A 369 ? 2.3323 0.9432 0.6684 0.0852 -0.1580 0.0490 397 GLN A CD 2546 O OE1 . GLN A 369 ? 2.3647 0.9264 0.6672 0.0981 -0.1269 0.0476 397 GLN A OE1 2547 N NE2 . GLN A 369 ? 2.2722 0.9510 0.6757 0.0846 -0.1629 0.0533 397 GLN A NE2 2548 N N . ALA A 370 ? 2.3892 1.0862 0.6859 0.0323 -0.3336 0.0632 398 ALA A N 2549 C CA . ALA A 370 ? 2.3688 1.1311 0.7018 0.0252 -0.3709 0.0721 398 ALA A CA 2550 C C . ALA A 370 ? 2.3407 1.1404 0.7002 0.0433 -0.3693 0.0848 398 ALA A C 2551 O O . ALA A 370 ? 2.3598 1.2249 0.7651 0.0408 -0.3945 0.0939 398 ALA A O 2552 C CB . ALA A 370 ? 2.4593 1.1949 0.7377 0.0129 -0.4051 0.0723 398 ALA A CB 2553 N N . GLU A 371 ? 2.4381 1.1982 0.7714 0.0616 -0.3393 0.0863 399 GLU A N 2554 C CA . GLU A 371 ? 2.4205 1.2067 0.7708 0.0792 -0.3367 0.0989 399 GLU A CA 2555 C C . GLU A 371 ? 2.2543 1.1048 0.6838 0.0825 -0.3261 0.1020 399 GLU A C 2556 O O . GLU A 371 ? 2.1916 1.0345 0.6422 0.0840 -0.2964 0.0945 399 GLU A O 2557 C CB . GLU A 371 ? 2.4946 1.2161 0.7923 0.0970 -0.3057 0.0991 399 GLU A CB 2558 C CG . GLU A 371 ? 2.6201 1.2623 0.8476 0.0935 -0.2923 0.0884 399 GLU A CG 2559 C CD . GLU A 371 ? 2.4919 1.1155 0.7353 0.0904 -0.2600 0.0769 399 GLU A CD 2560 O OE1 . GLU A 371 ? 2.5390 1.1317 0.7568 0.0774 -0.2636 0.0676 399 GLU A OE1 2561 O OE2 . GLU A 371 ? 2.3892 1.0290 0.6703 0.1010 -0.2312 0.0778 399 GLU A OE2 2562 N N . LYS A 372 ? 2.3114 1.2247 0.7837 0.0845 -0.3500 0.1137 400 LYS A N 2563 C CA . LYS A 372 ? 2.1213 1.0967 0.6677 0.0878 -0.3429 0.1176 400 LYS A CA 2564 C C . LYS A 372 ? 2.0910 1.0483 0.6412 0.1064 -0.3084 0.1204 400 LYS A C 2565 O O . LYS A 372 ? 2.1443 1.0813 0.6656 0.1211 -0.3058 0.1296 400 LYS A O 2566 C CB . LYS A 372 ? 2.1389 1.1826 0.7261 0.0881 -0.3759 0.1313 400 LYS A CB 2567 C CG . LYS A 372 ? 2.2154 1.2879 0.8077 0.0691 -0.4120 0.1301 400 LYS A CG 2568 C CD . LYS A 372 ? 2.2217 1.3700 0.8642 0.0722 -0.4406 0.1454 400 LYS A CD 2569 C CE . LYS A 372 ? 2.3428 1.5173 0.9832 0.0545 -0.4788 0.1460 400 LYS A CE 2570 N NZ . LYS A 372 ? 2.2641 1.4456 0.9252 0.0337 -0.4799 0.1323 400 LYS A NZ 2571 N N . ARG A 373 ? 2.1237 1.0885 0.7095 0.1054 -0.2822 0.1128 401 ARG A N 2572 C CA . ARG A 373 ? 2.0373 0.9937 0.6367 0.1207 -0.2500 0.1151 401 ARG A CA 2573 C C . ARG A 373 ? 1.9049 0.9106 0.5717 0.1164 -0.2402 0.1119 401 ARG A C 2574 O O . ARG A 373 ? 1.8681 0.9042 0.5640 0.1018 -0.2532 0.1060 401 ARG A O 2575 C CB . ARG A 373 ? 2.0860 0.9727 0.6349 0.1265 -0.2174 0.1073 401 ARG A CB 2576 C CG . ARG A 373 ? 2.3891 1.2244 0.8725 0.1372 -0.2188 0.1128 401 ARG A CG 2577 C CD . ARG A 373 ? 2.4875 1.2572 0.9262 0.1432 -0.1839 0.1049 401 ARG A CD 2578 N NE . ARG A 373 ? 2.4352 1.1926 0.8765 0.1302 -0.1755 0.0922 401 ARG A NE 2579 C CZ . ARG A 373 ? 2.6610 1.3900 1.0636 0.1189 -0.1918 0.0860 401 ARG A CZ 2580 N NH1 . ARG A 373 ? 2.8982 1.6100 1.2569 0.1182 -0.2184 0.0910 401 ARG A NH1 2581 N NH2 . ARG A 373 ? 2.6126 1.3295 1.0194 0.1082 -0.1820 0.0753 401 ARG A NH2 2582 N N . SER A 374 ? 2.1794 1.1917 0.8697 0.1292 -0.2172 0.1160 402 SER A N 2583 C CA . SER A 374 ? 1.9064 0.9559 0.6540 0.1262 -0.2027 0.1119 402 SER A CA 2584 C C . SER A 374 ? 1.8934 0.9172 0.6349 0.1165 -0.1815 0.0983 402 SER A C 2585 O O . SER A 374 ? 1.9494 0.9182 0.6418 0.1180 -0.1664 0.0931 402 SER A O 2586 C CB . SER A 374 ? 1.8850 0.9349 0.6490 0.1416 -0.1795 0.1183 402 SER A CB 2587 O OG . SER A 374 ? 1.9194 0.9147 0.6461 0.1480 -0.1478 0.1136 402 SER A OG 2588 N N . TRP A 375 ? 2.3381 1.4023 1.1302 0.1074 -0.1801 0.0932 403 TRP A N 2589 C CA . TRP A 375 ? 2.1632 1.2090 0.9567 0.0993 -0.1588 0.0817 403 TRP A CA 2590 C C . TRP A 375 ? 2.1721 1.1727 0.9410 0.1100 -0.1225 0.0794 403 TRP A C 2591 O O . TRP A 375 ? 2.0739 1.0323 0.8104 0.1076 -0.1065 0.0721 403 TRP A O 2592 C CB . TRP A 375 ? 1.8073 0.9054 0.6631 0.0920 -0.1573 0.0787 403 TRP A CB 2593 C CG . TRP A 375 ? 1.6626 0.7459 0.5231 0.0839 -0.1360 0.0680 403 TRP A CG 2594 C CD1 . TRP A 375 ? 1.6121 0.7026 0.4783 0.0696 -0.1471 0.0611 403 TRP A CD1 2595 C CD2 . TRP A 375 ? 1.5756 0.6365 0.4374 0.0900 -0.1001 0.0640 403 TRP A CD2 2596 N NE1 . TRP A 375 ? 1.5511 0.6240 0.4207 0.0676 -0.1207 0.0537 403 TRP A NE1 2597 C CE2 . TRP A 375 ? 1.5471 0.6040 0.4157 0.0800 -0.0919 0.0555 403 TRP A CE2 2598 C CE3 . TRP A 375 ? 1.5703 0.6157 0.4297 0.1027 -0.0741 0.0675 403 TRP A CE3 2599 C CZ2 . TRP A 375 ? 1.5303 0.5712 0.4050 0.0831 -0.0590 0.0510 403 TRP A CZ2 2600 C CZ3 . TRP A 375 ? 1.5504 0.5808 0.4165 0.1043 -0.0415 0.0626 403 TRP A CZ3 2601 C CH2 . TRP A 375 ? 1.5314 0.5613 0.4061 0.0951 -0.0345 0.0547 403 TRP A CH2 2602 N N . GLN A 376 ? 1.9556 0.9649 0.7408 0.1219 -0.1083 0.0860 404 GLN A N 2603 C CA . GLN A 376 ? 2.0189 0.9968 0.7941 0.1307 -0.0717 0.0844 404 GLN A CA 2604 C C . GLN A 376 ? 2.1853 1.1024 0.9005 0.1339 -0.0594 0.0809 404 GLN A C 2605 O O . GLN A 376 ? 2.2464 1.1406 0.9536 0.1308 -0.0385 0.0733 404 GLN A O 2606 C CB . GLN A 376 ? 2.0908 1.0740 0.8744 0.1438 -0.0633 0.0939 404 GLN A CB 2607 C CG . GLN A 376 ? 1.9423 0.9446 0.7675 0.1454 -0.0370 0.0927 404 GLN A CG 2608 C CD . GLN A 376 ? 1.6931 0.7515 0.5734 0.1379 -0.0525 0.0922 404 GLN A CD 2609 O OE1 . GLN A 376 ? 1.6484 0.7342 0.5379 0.1345 -0.0828 0.0954 404 GLN A OE1 2610 N NE2 . GLN A 376 ? 1.5319 0.6095 0.4501 0.1349 -0.0320 0.0885 404 GLN A NE2 2611 N N . GLU A 377 ? 2.0210 0.9111 0.6934 0.1414 -0.0712 0.0871 405 GLU A N 2612 C CA . GLU A 377 ? 2.0753 0.9037 0.6865 0.1468 -0.0578 0.0849 405 GLU A CA 2613 C C . GLU A 377 ? 2.2529 1.0590 0.8228 0.1384 -0.0842 0.0816 405 GLU A C 2614 O O . GLU A 377 ? 2.5218 1.2734 1.0335 0.1436 -0.0781 0.0808 405 GLU A O 2615 C CB . GLU A 377 ? 2.2672 1.0717 0.8540 0.1623 -0.0445 0.0937 405 GLU A CB 2616 C CG . GLU A 377 ? 2.3967 1.2178 1.0242 0.1680 -0.0125 0.0950 405 GLU A CG 2617 C CD . GLU A 377 ? 2.1060 0.9471 0.7736 0.1589 0.0064 0.0859 405 GLU A CD 2618 O OE1 . GLU A 377 ? 2.0964 0.9099 0.7432 0.1550 0.0174 0.0784 405 GLU A OE1 2619 O OE2 . GLU A 377 ? 1.8132 0.6979 0.5339 0.1560 0.0100 0.0867 405 GLU A OE2 2620 N N . SER A 378 ? 1.9875 0.8337 0.5850 0.1254 -0.1135 0.0801 406 SER A N 2621 C CA . SER A 378 ? 2.0195 0.8433 0.5895 0.1127 -0.1265 0.0722 406 SER A CA 2622 C C . SER A 378 ? 2.0153 0.8072 0.5786 0.1120 -0.0948 0.0631 406 SER A C 2623 O O . SER A 378 ? 2.0694 0.8155 0.5882 0.1079 -0.0934 0.0573 406 SER A O 2624 C CB . SER A 378 ? 1.9719 0.8495 0.5835 0.0974 -0.1574 0.0712 406 SER A CB 2625 O OG . SER A 378 ? 1.9839 0.8910 0.5992 0.0978 -0.1888 0.0803 406 SER A OG 2626 N N . LYS A 379 ? 1.9273 0.7425 0.5340 0.1162 -0.0690 0.0624 407 LYS A N 2627 C CA . LYS A 379 ? 1.9127 0.7011 0.5164 0.1182 -0.0358 0.0559 407 LYS A CA 2628 C C . LYS A 379 ? 2.0143 0.7454 0.5679 0.1322 -0.0096 0.0575 407 LYS A C 2629 O O . LYS A 379 ? 2.0871 0.7724 0.6052 0.1339 0.0071 0.0524 407 LYS A O 2630 C CB . LYS A 379 ? 1.8277 0.6629 0.4951 0.1179 -0.0177 0.0556 407 LYS A CB 2631 C CG . LYS A 379 ? 1.8103 0.6330 0.4873 0.1170 0.0111 0.0491 407 LYS A CG 2632 C CD . LYS A 379 ? 1.7347 0.6012 0.4706 0.1183 0.0308 0.0503 407 LYS A CD 2633 C CE . LYS A 379 ? 1.7514 0.5982 0.4802 0.1314 0.0629 0.0544 407 LYS A CE 2634 N NZ . LYS A 379 ? 1.6790 0.5727 0.4663 0.1309 0.0771 0.0567 407 LYS A NZ 2635 N N . LYS A 380 ? 1.9691 0.7012 0.5192 0.1433 -0.0044 0.0653 408 LYS A N 2636 C CA . LYS A 380 ? 2.0384 0.7162 0.5384 0.1570 0.0187 0.0681 408 LYS A CA 2637 C C . LYS A 380 ? 2.1796 0.8016 0.6119 0.1565 0.0072 0.0652 408 LYS A C 2638 O O . LYS A 380 ? 2.2744 0.8446 0.6659 0.1644 0.0321 0.0628 408 LYS A O 2639 C CB . LYS A 380 ? 2.0462 0.7333 0.5467 0.1672 0.0164 0.0780 408 LYS A CB 2640 C CG . LYS A 380 ? 2.0221 0.7128 0.5460 0.1770 0.0516 0.0817 408 LYS A CG 2641 C CD . LYS A 380 ? 2.0998 0.7837 0.6070 0.1881 0.0484 0.0921 408 LYS A CD 2642 C CE . LYS A 380 ? 2.0020 0.7155 0.5550 0.1926 0.0697 0.0971 408 LYS A CE 2643 N NZ . LYS A 380 ? 2.0074 0.7357 0.5630 0.1991 0.0529 0.1073 408 LYS A NZ 2644 N N . ALA A 381 ? 2.1418 0.7739 0.5614 0.1473 -0.0305 0.0659 409 ALA A N 2645 C CA . ALA A 381 ? 2.2254 0.8057 0.5805 0.1441 -0.0450 0.0627 409 ALA A CA 2646 C C . ALA A 381 ? 2.2309 0.7865 0.5764 0.1358 -0.0352 0.0532 409 ALA A C 2647 O O . ALA A 381 ? 2.3090 0.8053 0.5939 0.1371 -0.0328 0.0499 409 ALA A O 2648 C CB . ALA A 381 ? 2.2381 0.8431 0.5886 0.1344 -0.0891 0.0664 409 ALA A CB 2649 N N . CYS A 382 ? 2.1648 0.7629 0.5669 0.1276 -0.0300 0.0492 410 CYS A N 2650 C CA . CYS A 382 ? 2.1822 0.7560 0.5776 0.1223 -0.0156 0.0414 410 CYS A CA 2651 C C . CYS A 382 ? 2.1681 0.7096 0.5555 0.1365 0.0283 0.0408 410 CYS A C 2652 O O . CYS A 382 ? 2.2543 0.7439 0.6010 0.1394 0.0438 0.0367 410 CYS A O 2653 C CB . CYS A 382 ? 2.0714 0.7027 0.5296 0.1087 -0.0258 0.0380 410 CYS A CB 2654 S SG . CYS A 382 ? 2.0580 0.7285 0.5293 0.0897 -0.0757 0.0379 410 CYS A SG 2655 N N . LEU A 383 ? 2.1211 0.6929 0.5474 0.1455 0.0488 0.0453 411 LEU A N 2656 C CA . LEU A 383 ? 2.1265 0.6766 0.5535 0.1583 0.0909 0.0459 411 LEU A CA 2657 C C . LEU A 383 ? 2.2821 0.7620 0.6381 0.1710 0.1055 0.0475 411 LEU A C 2658 O O . LEU A 383 ? 2.4071 0.8427 0.7331 0.1763 0.1270 0.0443 411 LEU A O 2659 C CB . LEU A 383 ? 2.0649 0.6604 0.5437 0.1638 0.1065 0.0514 411 LEU A CB 2660 C CG . LEU A 383 ? 1.9695 0.6344 0.5184 0.1529 0.0940 0.0508 411 LEU A CG 2661 C CD1 . LEU A 383 ? 1.9304 0.6290 0.5144 0.1588 0.1033 0.0577 411 LEU A CD1 2662 C CD2 . LEU A 383 ? 1.9241 0.6046 0.5076 0.1485 0.1122 0.0455 411 LEU A CD2 2663 N N . ARG A 384 ? 2.2642 0.7317 0.5912 0.1771 0.0947 0.0532 412 ARG A N 2664 C CA . ARG A 384 ? 2.3660 0.7642 0.6170 0.1865 0.0992 0.0541 412 ARG A CA 2665 C C . ARG A 384 ? 2.4111 0.7801 0.6220 0.1750 0.0721 0.0481 412 ARG A C 2666 O O . ARG A 384 ? 2.3748 0.7812 0.6097 0.1603 0.0391 0.0463 412 ARG A O 2667 C CB . ARG A 384 ? 2.4011 0.7940 0.6283 0.1943 0.0888 0.0620 412 ARG A CB 2668 C CG . ARG A 384 ? 2.4000 0.8183 0.6251 0.1840 0.0441 0.0641 412 ARG A CG 2669 C CD . ARG A 384 ? 2.4254 0.8456 0.6362 0.1938 0.0371 0.0738 412 ARG A CD 2670 N NE . ARG A 384 ? 2.4307 0.8750 0.6378 0.1849 -0.0063 0.0769 412 ARG A NE 2671 C CZ . ARG A 384 ? 2.3649 0.8705 0.6249 0.1801 -0.0262 0.0818 412 ARG A CZ 2672 N NH1 . ARG A 384 ? 2.2902 0.8364 0.6080 0.1827 -0.0069 0.0835 412 ARG A NH1 2673 N NH2 . ARG A 384 ? 2.3766 0.9033 0.6314 0.1729 -0.0653 0.0855 412 ARG A NH2 2674 N N . GLY A 385 ? 2.4919 0.7942 0.6436 0.1814 0.0875 0.0452 413 GLY A N 2675 C CA . GLY A 385 ? 2.5510 0.8261 0.6756 0.1700 0.0721 0.0385 413 GLY A CA 2676 C C . GLY A 385 ? 2.4683 0.7581 0.6324 0.1669 0.0926 0.0340 413 GLY A C 2677 O O . GLY A 385 ? 2.4902 0.7577 0.6347 0.1571 0.0819 0.0288 413 GLY A O 2678 N N . GLY A 386 ? 2.6852 1.0127 0.9044 0.1744 0.1211 0.0364 414 GLY A N 2679 C CA . GLY A 386 ? 2.6139 0.9463 0.8631 0.1769 0.1490 0.0338 414 GLY A CA 2680 C C . GLY A 386 ? 2.3526 0.7349 0.6546 0.1611 0.1325 0.0296 414 GLY A C 2681 O O . GLY A 386 ? 2.2643 0.6508 0.5906 0.1632 0.1546 0.0279 414 GLY A O 2682 N N . GLY A 387 ? 2.6798 1.1007 1.0006 0.1463 0.0951 0.0286 415 GLY A N 2683 C CA . GLY A 387 ? 2.4265 0.8927 0.7933 0.1306 0.0772 0.0249 415 GLY A CA 2684 C C . GLY A 387 ? 2.0940 0.6371 0.5351 0.1268 0.0724 0.0274 415 GLY A C 2685 O O . GLY A 387 ? 2.0678 0.6298 0.5329 0.1372 0.0922 0.0317 415 GLY A O 2686 N N . ASP A 388 ? 2.3949 0.9819 0.8721 0.1112 0.0462 0.0249 416 ASP A N 2687 C CA . ASP A 388 ? 2.0994 0.7583 0.6429 0.1061 0.0358 0.0274 416 ASP A CA 2688 C C . ASP A 388 ? 1.9902 0.6796 0.5448 0.0895 -0.0046 0.0262 416 ASP A C 2689 O O . ASP A 388 ? 2.0819 0.7408 0.6002 0.0802 -0.0215 0.0227 416 ASP A O 2690 C CB . ASP A 388 ? 1.8801 0.5760 0.4803 0.1070 0.0600 0.0261 416 ASP A CB 2691 C CG . ASP A 388 ? 1.8085 0.5615 0.4649 0.1096 0.0644 0.0304 416 ASP A CG 2692 O OD1 . ASP A 388 ? 1.7974 0.5752 0.4614 0.1067 0.0409 0.0339 416 ASP A OD1 2693 O OD2 . ASP A 388 ? 1.7654 0.5385 0.4585 0.1149 0.0918 0.0310 416 ASP A OD2 2694 N N . LEU A 389 ? 1.9316 0.6811 0.5362 0.0859 -0.0198 0.0297 417 LEU A N 2695 C CA . LEU A 389 ? 1.9123 0.7020 0.5405 0.0704 -0.0553 0.0292 417 LEU A CA 2696 C C . LEU A 389 ? 1.8275 0.6245 0.4746 0.0590 -0.0537 0.0234 417 LEU A C 2697 O O . LEU A 389 ? 1.7834 0.5811 0.4512 0.0637 -0.0259 0.0213 417 LEU A O 2698 C CB . LEU A 389 ? 1.7720 0.6265 0.4563 0.0707 -0.0664 0.0345 417 LEU A CB 2699 C CG . LEU A 389 ? 1.9153 0.7781 0.5854 0.0741 -0.0902 0.0413 417 LEU A CG 2700 C CD1 . LEU A 389 ? 1.7370 0.6489 0.4563 0.0811 -0.0863 0.0475 417 LEU A CD1 2701 C CD2 . LEU A 389 ? 2.0584 0.9396 0.7257 0.0596 -0.1288 0.0412 417 LEU A CD2 2702 N N . VAL A 390 ? 1.8424 0.6434 0.4804 0.0440 -0.0835 0.0213 418 VAL A N 2703 C CA . VAL A 390 ? 1.8422 0.6307 0.4786 0.0333 -0.0820 0.0159 418 VAL A CA 2704 C C . VAL A 390 ? 1.7502 0.5988 0.4549 0.0284 -0.0768 0.0153 418 VAL A C 2705 O O . VAL A 390 ? 1.6914 0.5979 0.4434 0.0260 -0.0909 0.0185 418 VAL A O 2706 C CB . VAL A 390 ? 1.8915 0.6648 0.4959 0.0172 -0.1159 0.0141 418 VAL A CB 2707 C CG1 . VAL A 390 ? 1.8461 0.6837 0.4931 0.0071 -0.1492 0.0176 418 VAL A CG1 2708 C CG2 . VAL A 390 ? 1.9024 0.6528 0.4969 0.0064 -0.1122 0.0090 418 VAL A CG2 2709 N N . SER A 391 ? 2.0254 0.8590 0.7344 0.0285 -0.0550 0.0118 419 SER A N 2710 C CA . SER A 391 ? 1.8217 0.7046 0.5876 0.0221 -0.0513 0.0105 419 SER A CA 2711 C C . SER A 391 ? 1.8824 0.7519 0.6349 0.0068 -0.0663 0.0068 419 SER A C 2712 O O . SER A 391 ? 2.0474 0.8580 0.7435 0.0046 -0.0677 0.0048 419 SER A O 2713 C CB . SER A 391 ? 1.6336 0.5150 0.4198 0.0345 -0.0138 0.0103 419 SER A CB 2714 O OG . SER A 391 ? 1.7414 0.5620 0.4820 0.0395 0.0058 0.0080 419 SER A OG 2715 N N . ILE A 392 ? 1.8379 0.7608 0.6410 -0.0038 -0.0778 0.0063 420 ILE A N 2716 C CA . ILE A 392 ? 1.9286 0.8478 0.7269 -0.0201 -0.0939 0.0035 420 ILE A CA 2717 C C . ILE A 392 ? 1.7030 0.6505 0.5443 -0.0202 -0.0753 0.0023 420 ILE A C 2718 O O . ILE A 392 ? 1.4784 0.4857 0.3762 -0.0196 -0.0757 0.0038 420 ILE A O 2719 C CB . ILE A 392 ? 1.9459 0.9075 0.7645 -0.0350 -0.1316 0.0048 420 ILE A CB 2720 C CG1 . ILE A 392 ? 2.0669 1.0174 0.8577 -0.0305 -0.1475 0.0077 420 ILE A CG1 2721 C CG2 . ILE A 392 ? 2.0390 0.9817 0.8370 -0.0530 -0.1496 0.0019 420 ILE A CG2 2722 C CD1 . ILE A 392 ? 2.0364 1.0390 0.8562 -0.0409 -0.1823 0.0110 420 ILE A CD1 2723 N N . HIS A 393 ? 1.9371 0.8399 0.7502 -0.0195 -0.0575 0.0002 421 HIS A N 2724 C CA . HIS A 393 ? 1.6702 0.5952 0.5190 -0.0194 -0.0400 -0.0005 421 HIS A CA 2725 C C . HIS A 393 ? 1.7169 0.6467 0.5679 -0.0369 -0.0577 -0.0023 421 HIS A C 2726 O O . HIS A 393 ? 1.6440 0.5897 0.5213 -0.0375 -0.0443 -0.0027 421 HIS A O 2727 C CB . HIS A 393 ? 1.7167 0.5941 0.5398 -0.0043 -0.0042 -0.0004 421 HIS A CB 2728 C CG . HIS A 393 ? 1.8707 0.7510 0.7018 0.0130 0.0177 0.0016 421 HIS A CG 2729 N ND1 . HIS A 393 ? 1.8952 0.7649 0.7345 0.0281 0.0522 0.0028 421 HIS A ND1 2730 C CD2 . HIS A 393 ? 1.9261 0.8194 0.7589 0.0177 0.0102 0.0033 421 HIS A CD2 2731 C CE1 . HIS A 393 ? 1.9065 0.7832 0.7527 0.0401 0.0650 0.0049 421 HIS A CE1 2732 N NE2 . HIS A 393 ? 1.9195 0.8082 0.7599 0.0342 0.0403 0.0052 421 HIS A NE2 2733 N N . SER A 394 ? 1.7123 0.6291 0.5365 -0.0514 -0.0871 -0.0030 422 SER A N 2734 C CA . SER A 394 ? 1.8136 0.7266 0.6335 -0.0687 -0.1020 -0.0045 422 SER A CA 2735 C C . SER A 394 ? 1.9433 0.8752 0.7613 -0.0857 -0.1398 -0.0044 422 SER A C 2736 O O . SER A 394 ? 2.0151 0.9437 0.8172 -0.0831 -0.1533 -0.0034 422 SER A O 2737 C CB . SER A 394 ? 1.9984 0.8349 0.7573 -0.0679 -0.0862 -0.0055 422 SER A CB 2738 O OG . SER A 394 ? 2.2695 1.0481 0.9674 -0.0646 -0.0902 -0.0058 422 SER A OG 2739 N N . MET A 395 ? 1.7610 0.7141 0.5968 -0.1029 -0.1566 -0.0051 423 MET A N 2740 C CA . MET A 395 ? 1.9157 0.8864 0.7508 -0.1208 -0.1926 -0.0047 423 MET A CA 2741 C C . MET A 395 ? 2.2959 1.1953 1.0576 -0.1279 -0.2031 -0.0062 423 MET A C 2742 O O . MET A 395 ? 2.4566 1.3614 1.2063 -0.1373 -0.2312 -0.0056 423 MET A O 2743 C CB . MET A 395 ? 1.7714 0.7827 0.6457 -0.1374 -0.2055 -0.0047 423 MET A CB 2744 C CG . MET A 395 ? 1.8902 0.9244 0.7699 -0.1571 -0.2424 -0.0037 423 MET A CG 2745 S SD . MET A 395 ? 1.9749 1.0877 0.9119 -0.1532 -0.2638 0.0003 423 MET A SD 2746 C CE . MET A 395 ? 2.0736 1.1944 1.0006 -0.1770 -0.3049 0.0017 423 MET A CE 2747 N N . ALA A 396 ? 1.9455 0.7778 0.6569 -0.1229 -0.1807 -0.0077 424 ALA A N 2748 C CA . ALA A 396 ? 2.2903 1.0479 0.9259 -0.1274 -0.1876 -0.0091 424 ALA A CA 2749 C C . ALA A 396 ? 2.3894 1.1256 0.9975 -0.1129 -0.1843 -0.0086 424 ALA A C 2750 O O . ALA A 396 ? 2.6272 1.3377 1.1953 -0.1203 -0.2069 -0.0091 424 ALA A O 2751 C CB . ALA A 396 ? 2.4016 1.0917 0.9902 -0.1237 -0.1618 -0.0098 424 ALA A CB 2752 N N . GLU A 397 ? 2.3590 1.1056 0.9875 -0.0924 -0.1566 -0.0074 425 GLU A N 2753 C CA . GLU A 397 ? 2.3128 1.0446 0.9203 -0.0783 -0.1529 -0.0063 425 GLU A CA 2754 C C . GLU A 397 ? 2.2481 1.0354 0.8872 -0.0847 -0.1837 -0.0045 425 GLU A C 2755 O O . GLU A 397 ? 2.3373 1.1031 0.9424 -0.0809 -0.1945 -0.0035 425 GLU A O 2756 C CB . GLU A 397 ? 2.1063 0.8456 0.7370 -0.0566 -0.1173 -0.0050 425 GLU A CB 2757 C CG . GLU A 397 ? 2.1346 0.8449 0.7337 -0.0407 -0.1076 -0.0037 425 GLU A CG 2758 C CD . GLU A 397 ? 1.8888 0.6185 0.5209 -0.0210 -0.0750 -0.0019 425 GLU A CD 2759 O OE1 . GLU A 397 ? 1.7929 0.5653 0.4770 -0.0198 -0.0622 -0.0017 425 GLU A OE1 2760 O OE2 . GLU A 397 ? 1.9749 0.6773 0.5804 -0.0070 -0.0626 -0.0006 425 GLU A OE2 2761 N N . LEU A 398 ? 2.2695 1.1279 0.9725 -0.0936 -0.1977 -0.0033 426 LEU A N 2762 C CA . LEU A 398 ? 2.2148 1.1261 0.9476 -0.1009 -0.2290 -0.0004 426 LEU A CA 2763 C C . LEU A 398 ? 2.4621 1.3440 1.1509 -0.1179 -0.2597 -0.0012 426 LEU A C 2764 O O . LEU A 398 ? 2.4566 1.3344 1.1241 -0.1164 -0.2774 0.0009 426 LEU A O 2765 C CB . LEU A 398 ? 1.8880 0.8775 0.6958 -0.1077 -0.2372 0.0012 426 LEU A CB 2766 C CG . LEU A 398 ? 1.8787 0.9281 0.7229 -0.1148 -0.2692 0.0054 426 LEU A CG 2767 C CD1 . LEU A 398 ? 1.8674 0.9288 0.7137 -0.0980 -0.2666 0.0092 426 LEU A CD1 2768 C CD2 . LEU A 398 ? 1.7287 0.8514 0.6442 -0.1222 -0.2766 0.0070 426 LEU A CD2 2769 N N . GLU A 399 ? 2.0170 0.8764 0.6894 -0.1345 -0.2665 -0.0038 427 GLU A N 2770 C CA . GLU A 399 ? 2.4195 1.2493 1.0490 -0.1531 -0.2964 -0.0048 427 GLU A CA 2771 C C . GLU A 399 ? 2.6042 1.3516 1.1521 -0.1469 -0.2907 -0.0068 427 GLU A C 2772 O O . GLU A 399 ? 2.8119 1.5420 1.3246 -0.1564 -0.3174 -0.0065 427 GLU A O 2773 C CB . GLU A 399 ? 2.5959 1.4189 1.2267 -0.1726 -0.3029 -0.0069 427 GLU A CB 2774 C CG . GLU A 399 ? 2.4983 1.4022 1.2075 -0.1809 -0.3118 -0.0048 427 GLU A CG 2775 C CD . GLU A 399 ? 2.6119 1.5806 1.3625 -0.1886 -0.3442 -0.0009 427 GLU A CD 2776 O OE1 . GLU A 399 ? 2.4435 1.4689 1.2447 -0.1757 -0.3404 0.0025 427 GLU A OE1 2777 O OE2 . GLU A 399 ? 2.8638 1.8266 1.5959 -0.2074 -0.3733 -0.0006 427 GLU A OE2 2778 N N . PHE A 400 ? 2.3208 1.0177 0.8383 -0.1308 -0.2561 -0.0083 428 PHE A N 2779 C CA . PHE A 400 ? 2.5236 1.1465 0.9691 -0.1195 -0.2451 -0.0093 428 PHE A CA 2780 C C . PHE A 400 ? 2.6010 1.2434 1.0449 -0.1129 -0.2619 -0.0067 428 PHE A C 2781 O O . PHE A 400 ? 2.7436 1.3369 1.1271 -0.1149 -0.2749 -0.0074 428 PHE A O 2782 C CB . PHE A 400 ? 2.3979 0.9898 0.8370 -0.0983 -0.2020 -0.0094 428 PHE A CB 2783 C CG . PHE A 400 ? 2.6460 1.1466 1.0044 -0.0886 -0.1834 -0.0107 428 PHE A CG 2784 C CD1 . PHE A 400 ? 2.9192 1.3789 1.2223 -0.0871 -0.1972 -0.0110 428 PHE A CD1 2785 C CD2 . PHE A 400 ? 2.6242 1.0805 0.9629 -0.0793 -0.1504 -0.0110 428 PHE A CD2 2786 C CE1 . PHE A 400 ? 3.1353 1.5095 1.3630 -0.0771 -0.1786 -0.0121 428 PHE A CE1 2787 C CE2 . PHE A 400 ? 2.8779 1.2503 1.1434 -0.0685 -0.1310 -0.0113 428 PHE A CE2 2788 C CZ . PHE A 400 ? 3.1037 1.4340 1.3130 -0.0676 -0.1450 -0.0121 428 PHE A CZ 2789 N N . ILE A 401 ? 2.5550 1.2676 1.0630 -0.1045 -0.2614 -0.0033 429 ILE A N 2790 C CA . ILE A 401 ? 2.5693 1.3049 1.0809 -0.0955 -0.2740 0.0006 429 ILE A CA 2791 C C . ILE A 401 ? 2.6843 1.4789 1.2290 -0.1104 -0.3136 0.0041 429 ILE A C 2792 O O . ILE A 401 ? 2.8364 1.6398 1.3698 -0.1055 -0.3299 0.0080 429 ILE A O 2793 C CB . ILE A 401 ? 2.1330 0.9036 0.6891 -0.0751 -0.2469 0.0033 429 ILE A CB 2794 C CG1 . ILE A 401 ? 2.0633 0.7756 0.5861 -0.0602 -0.2079 0.0007 429 ILE A CG1 2795 C CG2 . ILE A 401 ? 2.0725 0.8640 0.6313 -0.0638 -0.2561 0.0084 429 ILE A CG2 2796 C CD1 . ILE A 401 ? 1.9959 0.7375 0.5589 -0.0414 -0.1800 0.0030 429 ILE A CD1 2797 N N . THR A 402 ? 2.4537 1.2872 1.0366 -0.1281 -0.3296 0.0034 430 THR A N 2798 C CA . THR A 402 ? 2.5119 1.4098 1.1357 -0.1408 -0.3649 0.0077 430 THR A CA 2799 C C . THR A 402 ? 2.8852 1.7550 1.4585 -0.1511 -0.3959 0.0088 430 THR A C 2800 O O . THR A 402 ? 2.9079 1.7974 1.4812 -0.1426 -0.4087 0.0138 430 THR A O 2801 C CB . THR A 402 ? 2.4354 1.3738 1.1049 -0.1590 -0.3751 0.0066 430 THR A CB 2802 O OG1 . THR A 402 ? 2.5950 1.4707 1.2161 -0.1714 -0.3697 0.0012 430 THR A OG1 2803 C CG2 . THR A 402 ? 2.0924 1.0862 0.8302 -0.1491 -0.3536 0.0078 430 THR A CG2 2804 N N . LYS A 403 ? 2.4096 1.2326 0.9380 -0.1696 -0.4085 0.0045 431 LYS A N 2805 C CA . LYS A 403 ? 2.8564 1.6540 1.3369 -0.1823 -0.4409 0.0051 431 LYS A CA 2806 C C . LYS A 403 ? 3.0876 1.8066 1.4890 -0.1697 -0.4293 0.0030 431 LYS A C 2807 O O . LYS A 403 ? 3.3273 2.0423 1.7018 -0.1679 -0.4498 0.0062 431 LYS A O 2808 C CB . LYS A 403 ? 3.0848 1.8627 1.5472 -0.2088 -0.4609 0.0015 431 LYS A CB 2809 C CG . LYS A 403 ? 3.5050 2.2520 1.9137 -0.2245 -0.4956 0.0016 431 LYS A CG 2810 C CD . LYS A 403 ? 3.5764 2.3921 2.0243 -0.2235 -0.5249 0.0091 431 LYS A CD 2811 C CE . LYS A 403 ? 3.9985 2.7896 2.3972 -0.2411 -0.5623 0.0096 431 LYS A CE 2812 N NZ . LYS A 403 ? 4.0675 2.9237 2.5008 -0.2370 -0.5894 0.0183 431 LYS A NZ 2813 N N . GLN A 404 ? 2.9051 1.5619 1.2690 -0.1603 -0.3963 -0.0017 432 GLN A N 2814 C CA . GLN A 404 ? 3.0194 1.5946 1.3054 -0.1477 -0.3805 -0.0039 432 GLN A CA 2815 C C . GLN A 404 ? 2.9400 1.5282 1.2271 -0.1269 -0.3745 0.0007 432 GLN A C 2816 O O . GLN A 404 ? 3.1905 1.7625 1.4387 -0.1281 -0.3966 0.0028 432 GLN A O 2817 C CB . GLN A 404 ? 2.8898 1.4121 1.1542 -0.1382 -0.3413 -0.0080 432 GLN A CB 2818 C CG . GLN A 404 ? 3.0127 1.4592 1.2111 -0.1189 -0.3143 -0.0092 432 GLN A CG 2819 C CD . GLN A 404 ? 2.8628 1.2747 1.0578 -0.1069 -0.2734 -0.0113 432 GLN A CD 2820 O OE1 . GLN A 404 ? 2.8183 1.2030 0.9987 -0.0855 -0.2426 -0.0104 432 GLN A OE1 2821 N NE2 . GLN A 404 ? 2.7980 1.2123 1.0078 -0.1205 -0.2727 -0.0134 432 GLN A NE2 2822 N N . ILE A 405 ? 3.0126 1.6301 1.3431 -0.1081 -0.3455 0.0027 433 ILE A N 2823 C CA . ILE A 405 ? 2.8836 1.4990 1.2054 -0.0869 -0.3335 0.0069 433 ILE A CA 2824 C C . ILE A 405 ? 2.8011 1.4914 1.1720 -0.0867 -0.3597 0.0142 433 ILE A C 2825 O O . ILE A 405 ? 2.9786 1.6593 1.3206 -0.0785 -0.3707 0.0186 433 ILE A O 2826 C CB . ILE A 405 ? 2.5104 1.1208 0.8538 -0.0671 -0.2906 0.0062 433 ILE A CB 2827 C CG1 . ILE A 405 ? 2.5172 1.0574 0.8159 -0.0665 -0.2642 0.0005 433 ILE A CG1 2828 C CG2 . ILE A 405 ? 2.5115 1.1079 0.8361 -0.0459 -0.2761 0.0103 433 ILE A CG2 2829 C CD1 . ILE A 405 ? 2.3965 0.9259 0.7099 -0.0459 -0.2209 0.0004 433 ILE A CD1 2830 N N . LYS A 406 ? 2.7059 1.4710 1.1503 -0.0945 -0.3696 0.0164 434 LYS A N 2831 C CA . LYS A 406 ? 2.7503 1.5895 1.2466 -0.0909 -0.3900 0.0247 434 LYS A CA 2832 C C . LYS A 406 ? 3.2630 2.1106 1.7373 -0.1045 -0.4308 0.0283 434 LYS A C 2833 O O . LYS A 406 ? 3.3611 2.2197 1.8249 -0.0948 -0.4434 0.0352 434 LYS A O 2834 C CB . LYS A 406 ? 2.3569 1.2709 0.9357 -0.0955 -0.3885 0.0261 434 LYS A CB 2835 C CG . LYS A 406 ? 2.2687 1.2633 0.9038 -0.0978 -0.4165 0.0347 434 LYS A CG 2836 C CD . LYS A 406 ? 2.1487 1.2100 0.8606 -0.1028 -0.4127 0.0351 434 LYS A CD 2837 C CE . LYS A 406 ? 2.1157 1.2541 0.8809 -0.1098 -0.4442 0.0431 434 LYS A CE 2838 N NZ . LYS A 406 ? 2.2086 1.3441 0.9567 -0.1324 -0.4766 0.0420 434 LYS A NZ 2839 N N . GLN A 407 ? 2.5856 1.4286 1.0530 -0.1271 -0.4521 0.0244 435 GLN A N 2840 C CA . GLN A 407 ? 3.0828 1.9256 1.5226 -0.1434 -0.4915 0.0267 435 GLN A CA 2841 C C . GLN A 407 ? 2.9817 1.9060 1.4754 -0.1401 -0.5171 0.0373 435 GLN A C 2842 O O . GLN A 407 ? 3.1942 2.1164 1.6635 -0.1302 -0.5294 0.0436 435 GLN A O 2843 C CB . GLN A 407 ? 3.5837 2.3436 1.9332 -0.1396 -0.4924 0.0240 435 GLN A CB 2844 C CG . GLN A 407 ? 4.0955 2.8440 2.4074 -0.1596 -0.5329 0.0246 435 GLN A CG 2845 C CD . GLN A 407 ? 4.2607 3.0217 2.5915 -0.1856 -0.5496 0.0202 435 GLN A CD 2846 O OE1 . GLN A 407 ? 4.3510 3.1727 2.7240 -0.2002 -0.5810 0.0249 435 GLN A OE1 2847 N NE2 . GLN A 407 ? 4.2927 2.9962 2.5928 -0.1911 -0.5279 0.0120 435 GLN A NE2 2848 N N . GLU A 408 ? 2.9716 1.9677 1.5393 -0.1475 -0.5238 0.0398 436 GLU A N 2849 C CA . GLU A 408 ? 2.7992 1.8781 1.4248 -0.1462 -0.5491 0.0505 436 GLU A CA 2850 C C . GLU A 408 ? 2.5709 1.6706 1.2073 -0.1208 -0.5383 0.0592 436 GLU A C 2851 O O . GLU A 408 ? 2.6229 1.7640 1.2731 -0.1161 -0.5619 0.0693 436 GLU A O 2852 C CB . GLU A 408 ? 3.1342 2.2159 1.7346 -0.1642 -0.5902 0.0534 436 GLU A CB 2853 C CG . GLU A 408 ? 3.2325 2.2991 1.8263 -0.1917 -0.6048 0.0462 436 GLU A CG 2854 C CD . GLU A 408 ? 3.5939 2.6505 2.1511 -0.2104 -0.6447 0.0482 436 GLU A CD 2855 O OE1 . GLU A 408 ? 3.7928 2.7718 2.2720 -0.2168 -0.6474 0.0420 436 GLU A OE1 2856 O OE2 . GLU A 408 ? 3.6842 2.8107 2.2904 -0.2184 -0.6734 0.0561 436 GLU A OE2 2857 N N . GLU A 410 ? 2.5016 1.6634 1.2136 -0.0726 -0.4896 0.0718 438 GLU A N 2858 C CA . GLU A 410 ? 2.3487 1.5820 1.1383 -0.0762 -0.4897 0.0739 438 GLU A CA 2859 C C . GLU A 410 ? 2.0825 1.3194 0.9012 -0.0610 -0.4535 0.0718 438 GLU A C 2860 O O . GLU A 410 ? 1.9205 1.1303 0.7369 -0.0662 -0.4321 0.0622 438 GLU A O 2861 C CB . GLU A 410 ? 2.4905 1.7983 1.3261 -0.0722 -0.5171 0.0873 438 GLU A CB 2862 C CG . GLU A 410 ? 2.3899 1.7742 1.3057 -0.0758 -0.5197 0.0903 438 GLU A CG 2863 C CD . GLU A 410 ? 2.4589 1.8472 1.3867 -0.1001 -0.5308 0.0820 438 GLU A CD 2864 O OE1 . GLU A 410 ? 2.7285 2.0762 1.6087 -0.1162 -0.5485 0.0774 438 GLU A OE1 2865 O OE2 . GLU A 410 ? 2.2130 1.6433 1.1964 -0.1034 -0.5217 0.0803 438 GLU A OE2 2866 N N . GLU A 411 ? 2.0979 1.3675 0.9432 -0.0421 -0.4470 0.0813 439 GLU A N 2867 C CA . GLU A 411 ? 2.0535 1.3208 0.9196 -0.0271 -0.4135 0.0798 439 GLU A CA 2868 C C . GLU A 411 ? 2.0499 1.2407 0.8539 -0.0175 -0.3886 0.0745 439 GLU A C 2869 O O . GLU A 411 ? 2.2162 1.3665 0.9659 -0.0146 -0.3980 0.0767 439 GLU A O 2870 C CB . GLU A 411 ? 2.0962 1.4180 1.0066 -0.0101 -0.4148 0.0925 439 GLU A CB 2871 C CG . GLU A 411 ? 2.1291 1.5266 1.1130 -0.0137 -0.4232 0.0965 439 GLU A CG 2872 C CD . GLU A 411 ? 2.0764 1.5102 1.1003 0.0057 -0.4094 0.1056 439 GLU A CD 2873 O OE1 . GLU A 411 ? 2.0758 1.5216 1.0945 0.0190 -0.4195 0.1176 439 GLU A OE1 2874 O OE2 . GLU A 411 ? 1.9981 1.4460 1.0568 0.0078 -0.3884 0.1011 439 GLU A OE2 2875 N N . LEU A 412 ? 2.0419 1.2154 0.8555 -0.0112 -0.3562 0.0684 440 LEU A N 2876 C CA . LEU A 412 ? 1.9988 1.1058 0.7617 0.0004 -0.3283 0.0643 440 LEU A CA 2877 C C . LEU A 412 ? 1.8895 0.9989 0.6826 0.0068 -0.2948 0.0594 440 LEU A C 2878 O O . LEU A 412 ? 1.9858 1.1358 0.8276 -0.0011 -0.2940 0.0566 440 LEU A O 2879 C CB . LEU A 412 ? 2.0517 1.0906 0.7484 -0.0094 -0.3301 0.0563 440 LEU A CB 2880 C CG . LEU A 412 ? 2.0028 1.0329 0.7001 -0.0286 -0.3352 0.0474 440 LEU A CG 2881 C CD1 . LEU A 412 ? 1.8923 0.8993 0.5968 -0.0252 -0.3004 0.0399 440 LEU A CD1 2882 C CD2 . LEU A 412 ? 2.0446 1.0170 0.6738 -0.0391 -0.3517 0.0438 440 LEU A CD2 2883 N N . TRP A 413 ? 1.8530 0.9178 0.6156 0.0212 -0.2670 0.0585 441 TRP A N 2884 C CA . TRP A 413 ? 1.8255 0.8919 0.6147 0.0295 -0.2340 0.0553 441 TRP A CA 2885 C C . TRP A 413 ? 1.8521 0.8779 0.6216 0.0230 -0.2134 0.0452 441 TRP A C 2886 O O . TRP A 413 ? 2.0609 1.0314 0.7752 0.0196 -0.2136 0.0411 441 TRP A O 2887 C CB . TRP A 413 ? 1.8553 0.8956 0.6242 0.0482 -0.2125 0.0601 441 TRP A CB 2888 C CG . TRP A 413 ? 1.8477 0.9263 0.6395 0.0581 -0.2259 0.0712 441 TRP A CG 2889 C CD1 . TRP A 413 ? 2.0154 1.0732 0.7712 0.0682 -0.2345 0.0789 441 TRP A CD1 2890 C CD2 . TRP A 413 ? 1.7292 0.8711 0.5834 0.0603 -0.2311 0.0767 441 TRP A CD2 2891 N NE1 . TRP A 413 ? 2.0068 1.1111 0.7994 0.0768 -0.2445 0.0894 441 TRP A NE1 2892 C CE2 . TRP A 413 ? 1.8236 0.9790 0.6763 0.0724 -0.2423 0.0882 441 TRP A CE2 2893 C CE3 . TRP A 413 ? 1.7505 0.9374 0.6602 0.0540 -0.2269 0.0736 441 TRP A CE3 2894 C CZ2 . TRP A 413 ? 1.7952 1.0056 0.6994 0.0788 -0.2488 0.0966 441 TRP A CZ2 2895 C CZ3 . TRP A 413 ? 1.7003 0.9418 0.6602 0.0599 -0.2337 0.0813 441 TRP A CZ3 2896 C CH2 . TRP A 413 ? 1.6906 0.9427 0.6473 0.0724 -0.2444 0.0928 441 TRP A CH2 2897 N N . ILE A 414 ? 1.9012 0.9538 0.7151 0.0220 -0.1955 0.0419 442 ILE A N 2898 C CA . ILE A 414 ? 1.7837 0.7994 0.5836 0.0215 -0.1680 0.0344 442 ILE A CA 2899 C C . ILE A 414 ? 1.6702 0.6934 0.4953 0.0351 -0.1362 0.0355 442 ILE A C 2900 O O . ILE A 414 ? 1.6279 0.6814 0.4782 0.0435 -0.1369 0.0416 442 ILE A O 2901 C CB . ILE A 414 ? 1.7568 0.7951 0.5838 0.0057 -0.1763 0.0293 442 ILE A CB 2902 C CG1 . ILE A 414 ? 1.5810 0.6925 0.4780 0.0028 -0.1839 0.0322 442 ILE A CG1 2903 C CG2 . ILE A 414 ? 1.8610 0.8819 0.6556 -0.0087 -0.2051 0.0278 442 ILE A CG2 2904 C CD1 . ILE A 414 ? 1.5504 0.6907 0.4756 -0.0136 -0.1978 0.0285 442 ILE A CD1 2905 N N . GLY A 415 ? 1.8871 0.8834 0.7063 0.0373 -0.1081 0.0303 443 GLY A N 2906 C CA . GLY A 415 ? 1.7287 0.7280 0.5679 0.0497 -0.0762 0.0313 443 GLY A CA 2907 C C . GLY A 415 ? 1.5233 0.5815 0.4271 0.0478 -0.0714 0.0322 443 GLY A C 2908 O O . GLY A 415 ? 1.4519 0.5156 0.3748 0.0568 -0.0457 0.0333 443 GLY A O 2909 N N . LEU A 416 ? 1.7943 0.8977 0.7330 0.0364 -0.0949 0.0320 444 LEU A N 2910 C CA . LEU A 416 ? 1.4710 0.6286 0.4688 0.0350 -0.0902 0.0328 444 LEU A CA 2911 C C . LEU A 416 ? 1.4098 0.5961 0.4295 0.0441 -0.0941 0.0397 444 LEU A C 2912 O O . LEU A 416 ? 1.5787 0.7696 0.5866 0.0455 -0.1160 0.0446 444 LEU A O 2913 C CB . LEU A 416 ? 1.4019 0.5976 0.4296 0.0203 -0.1127 0.0305 444 LEU A CB 2914 C CG . LEU A 416 ? 1.2555 0.4902 0.3326 0.0164 -0.1009 0.0280 444 LEU A CG 2915 C CD1 . LEU A 416 ? 1.2649 0.4666 0.3276 0.0166 -0.0748 0.0228 444 LEU A CD1 2916 C CD2 . LEU A 416 ? 1.2181 0.5001 0.3307 0.0033 -0.1265 0.0276 444 LEU A CD2 2917 N N . ASN A 417 ? 1.3634 0.5661 0.4126 0.0508 -0.0718 0.0408 445 ASN A N 2918 C CA . ASN A 417 ? 1.4168 0.6431 0.4871 0.0596 -0.0723 0.0474 445 ASN A CA 2919 C C . ASN A 417 ? 1.2624 0.5206 0.3780 0.0603 -0.0540 0.0468 445 ASN A C 2920 O O . ASN A 417 ? 1.2162 0.4685 0.3391 0.0574 -0.0340 0.0421 445 ASN A O 2921 C CB . ASN A 417 ? 1.5381 0.7216 0.5687 0.0717 -0.0586 0.0511 445 ASN A CB 2922 C CG . ASN A 417 ? 1.4671 0.6226 0.4898 0.0771 -0.0234 0.0484 445 ASN A CG 2923 O OD1 . ASN A 417 ? 1.3726 0.5382 0.4158 0.0834 -0.0053 0.0514 445 ASN A OD1 2924 N ND2 . ASN A 417 ? 1.5850 0.7064 0.5799 0.0744 -0.0132 0.0430 445 ASN A ND2 2925 N N . ASP A 418 ? 1.3816 0.6750 0.5283 0.0641 -0.0621 0.0520 446 ASP A N 2926 C CA . ASP A 418 ? 1.2519 0.5707 0.4364 0.0662 -0.0451 0.0527 446 ASP A CA 2927 C C . ASP A 418 ? 1.3049 0.6049 0.4808 0.0776 -0.0269 0.0579 446 ASP A C 2928 O O . ASP A 418 ? 1.1278 0.4513 0.3336 0.0804 -0.0214 0.0608 446 ASP A O 2929 C CB . ASP A 418 ? 1.1675 0.5391 0.3959 0.0617 -0.0647 0.0539 446 ASP A CB 2930 C CG . ASP A 418 ? 1.3425 0.7312 0.5742 0.0680 -0.0878 0.0611 446 ASP A CG 2931 O OD1 . ASP A 418 ? 1.4371 0.8016 0.6459 0.0782 -0.0835 0.0664 446 ASP A OD1 2932 O OD2 . ASP A 418 ? 1.4232 0.8524 0.6833 0.0632 -0.1097 0.0620 446 ASP A OD2 2933 N N . LEU A 419 ? 1.2963 0.5546 0.4303 0.0844 -0.0207 0.0599 447 LEU A N 2934 C CA . LEU A 419 ? 1.3334 0.5738 0.4579 0.0951 -0.0054 0.0657 447 LEU A CA 2935 C C . LEU A 419 ? 1.2809 0.5281 0.4319 0.0950 0.0235 0.0652 447 LEU A C 2936 O O . LEU A 419 ? 1.2872 0.5369 0.4484 0.1009 0.0314 0.0704 447 LEU A O 2937 C CB . LEU A 419 ? 1.4668 0.6579 0.5403 0.1017 0.0018 0.0668 447 LEU A CB 2938 C CG . LEU A 419 ? 1.6145 0.7955 0.6577 0.1038 -0.0266 0.0700 447 LEU A CG 2939 C CD1 . LEU A 419 ? 1.7613 0.8901 0.7503 0.1077 -0.0191 0.0688 447 LEU A CD1 2940 C CD2 . LEU A 419 ? 1.5398 0.7358 0.5914 0.1128 -0.0391 0.0789 447 LEU A CD2 2941 N N . LYS A 420 ? 1.4178 0.6675 0.5805 0.0885 0.0400 0.0598 448 LYS A N 2942 C CA . LYS A 420 ? 1.3180 0.5754 0.5065 0.0878 0.0680 0.0606 448 LYS A CA 2943 C C . LYS A 420 ? 1.2348 0.5347 0.4686 0.0827 0.0628 0.0612 448 LYS A C 2944 O O . LYS A 420 ? 1.2877 0.5932 0.5387 0.0845 0.0753 0.0651 448 LYS A O 2945 C CB . LYS A 420 ? 1.3991 0.6458 0.5860 0.0845 0.0889 0.0561 448 LYS A CB 2946 C CG . LYS A 420 ? 1.3866 0.6432 0.6019 0.0836 0.1188 0.0584 448 LYS A CG 2947 C CD . LYS A 420 ? 1.4732 0.7232 0.6904 0.0824 0.1386 0.0553 448 LYS A CD 2948 C CE . LYS A 420 ? 1.4339 0.7135 0.6765 0.0744 0.1285 0.0505 448 LYS A CE 2949 N NZ . LYS A 420 ? 1.4750 0.7437 0.7142 0.0751 0.1455 0.0478 448 LYS A NZ 2950 N N . LEU A 421 ? 1.4856 0.8143 0.7384 0.0758 0.0450 0.0574 449 LEU A N 2951 C CA . LEU A 421 ? 1.3094 0.6780 0.6019 0.0717 0.0376 0.0579 449 LEU A CA 2952 C C . LEU A 421 ? 1.1941 0.5856 0.4908 0.0700 0.0059 0.0571 449 LEU A C 2953 O O . LEU A 421 ? 1.1513 0.5423 0.4382 0.0643 -0.0051 0.0530 449 LEU A O 2954 C CB . LEU A 421 ? 1.2780 0.6678 0.6007 0.0633 0.0540 0.0542 449 LEU A CB 2955 C CG . LEU A 421 ? 1.1599 0.5824 0.5229 0.0591 0.0600 0.0555 449 LEU A CG 2956 C CD1 . LEU A 421 ? 0.9651 0.4087 0.3530 0.0506 0.0717 0.0517 449 LEU A CD1 2957 C CD2 . LEU A 421 ? 1.0970 0.5461 0.4750 0.0605 0.0355 0.0566 449 LEU A CD2 2958 N N . GLN A 422 ? 1.0356 0.4472 0.3479 0.0749 -0.0083 0.0614 450 GLN A N 2959 C CA . GLN A 422 ? 1.1271 0.5661 0.4484 0.0745 -0.0386 0.0622 450 GLN A CA 2960 C C . GLN A 422 ? 1.0736 0.5434 0.4185 0.0632 -0.0471 0.0564 450 GLN A C 2961 O O . GLN A 422 ? 0.9554 0.4437 0.3261 0.0586 -0.0352 0.0537 450 GLN A O 2962 C CB . GLN A 422 ? 1.1369 0.5974 0.4790 0.0832 -0.0485 0.0680 450 GLN A CB 2963 C CG . GLN A 422 ? 1.3739 0.8151 0.6927 0.0950 -0.0574 0.0752 450 GLN A CG 2964 C CD . GLN A 422 ? 1.5533 1.0019 0.8594 0.0935 -0.0833 0.0766 450 GLN A CD 2965 O OE1 . GLN A 422 ? 1.6023 1.0875 0.9323 0.0870 -0.1027 0.0751 450 GLN A OE1 2966 N NE2 . GLN A 422 ? 1.6451 1.0595 0.9137 0.0985 -0.0835 0.0798 450 GLN A NE2 2967 N N . MET A 423 ? 1.2482 0.7226 0.5837 0.0579 -0.0673 0.0546 451 MET A N 2968 C CA . MET A 423 ? 1.1305 0.6329 0.4866 0.0465 -0.0780 0.0495 451 MET A CA 2969 C C . MET A 423 ? 0.9776 0.4658 0.3313 0.0400 -0.0559 0.0437 451 MET A C 2970 O O . MET A 423 ? 0.8554 0.3694 0.2328 0.0317 -0.0581 0.0397 451 MET A O 2971 C CB . MET A 423 ? 1.0668 0.6195 0.4663 0.0459 -0.0914 0.0507 451 MET A CB 2972 C CG . MET A 423 ? 1.1331 0.7085 0.5414 0.0517 -0.1167 0.0571 451 MET A CG 2973 S SD . MET A 423 ? 1.3032 0.8903 0.7049 0.0417 -0.1439 0.0568 451 MET A SD 2974 C CE . MET A 423 ? 4.2766 3.8986 3.6989 0.0518 -0.1677 0.0670 451 MET A CE 2975 N N . ASN A 424 ? 1.0179 0.4667 0.3446 0.0444 -0.0338 0.0437 452 ASN A N 2976 C CA . ASN A 424 ? 1.0467 0.4756 0.3631 0.0401 -0.0150 0.0391 452 ASN A CA 2977 C C . ASN A 424 ? 1.2430 0.6260 0.5129 0.0430 -0.0155 0.0385 452 ASN A C 2978 O O . ASN A 424 ? 1.3888 0.7425 0.6353 0.0513 -0.0034 0.0414 452 ASN A O 2979 C CB . ASN A 424 ? 0.9429 0.3714 0.2754 0.0430 0.0144 0.0401 452 ASN A CB 2980 C CG . ASN A 424 ? 1.0456 0.4597 0.3740 0.0403 0.0347 0.0365 452 ASN A CG 2981 O OD1 . ASN A 424 ? 0.9918 0.4239 0.3356 0.0335 0.0310 0.0330 452 ASN A OD1 2982 N ND2 . ASN A 424 ? 1.2321 0.6144 0.5410 0.0467 0.0570 0.0379 452 ASN A ND2 2983 N N . PHE A 425 ? 1.0362 0.4113 0.2914 0.0358 -0.0289 0.0346 453 PHE A N 2984 C CA . PHE A 425 ? 1.1404 0.4740 0.3495 0.0367 -0.0367 0.0339 453 PHE A CA 2985 C C . PHE A 425 ? 1.1601 0.4517 0.3411 0.0387 -0.0129 0.0303 453 PHE A C 2986 O O . PHE A 425 ? 1.1090 0.4076 0.3048 0.0342 -0.0021 0.0269 453 PHE A O 2987 C CB . PHE A 425 ? 1.1949 0.5428 0.4029 0.0266 -0.0665 0.0324 453 PHE A CB 2988 C CG . PHE A 425 ? 1.2503 0.6313 0.4761 0.0278 -0.0910 0.0375 453 PHE A CG 2989 C CD1 . PHE A 425 ? 1.3641 0.7245 0.5607 0.0343 -0.1016 0.0421 453 PHE A CD1 2990 C CD2 . PHE A 425 ? 1.0929 0.5261 0.3650 0.0237 -0.1025 0.0386 453 PHE A CD2 2991 C CE1 . PHE A 425 ? 1.2878 0.6805 0.5025 0.0373 -0.1233 0.0483 453 PHE A CE1 2992 C CE2 . PHE A 425 ? 1.1558 0.6209 0.4465 0.0270 -0.1235 0.0443 453 PHE A CE2 2993 C CZ . PHE A 425 ? 1.2981 0.7435 0.5608 0.0340 -0.1339 0.0496 453 PHE A CZ 2994 N N . GLU A 426 ? 1.1588 0.4070 0.2993 0.0466 -0.0043 0.0317 454 GLU A N 2995 C CA . GLU A 426 ? 1.2484 0.4511 0.3559 0.0511 0.0181 0.0290 454 GLU A CA 2996 C C . GLU A 426 ? 1.4080 0.5647 0.4615 0.0521 0.0051 0.0284 454 GLU A C 2997 O O . GLU A 426 ? 1.4066 0.5658 0.4487 0.0526 -0.0156 0.0315 454 GLU A O 2998 C CB . GLU A 426 ? 1.3701 0.5636 0.4824 0.0616 0.0483 0.0320 454 GLU A CB 2999 C CG . GLU A 426 ? 1.3145 0.5529 0.4787 0.0603 0.0603 0.0338 454 GLU A CG 3000 C CD . GLU A 426 ? 1.4891 0.7196 0.6585 0.0690 0.0880 0.0378 454 GLU A CD 3001 O OE1 . GLU A 426 ? 1.7185 0.9138 0.8530 0.0766 0.0934 0.0400 454 GLU A OE1 3002 O OE2 . GLU A 426 ? 1.4089 0.6691 0.6176 0.0676 0.1041 0.0392 454 GLU A OE2 3003 N N . TRP A 427 ? 1.3325 0.4465 0.3522 0.0530 0.0174 0.0248 455 TRP A N 3004 C CA . TRP A 427 ? 1.4093 0.4699 0.3709 0.0561 0.0116 0.0243 455 TRP A CA 3005 C C . TRP A 427 ? 1.5663 0.5993 0.5073 0.0699 0.0342 0.0277 455 TRP A C 3006 O O . TRP A 427 ? 1.5254 0.5655 0.4880 0.0767 0.0621 0.0288 455 TRP A O 3007 C CB . TRP A 427 ? 1.4749 0.4934 0.4027 0.0528 0.0176 0.0196 455 TRP A CB 3008 C CG . TRP A 427 ? 1.4666 0.5024 0.4044 0.0382 -0.0058 0.0165 455 TRP A CG 3009 C CD1 . TRP A 427 ? 1.4023 0.4538 0.3650 0.0324 0.0013 0.0136 455 TRP A CD1 3010 C CD2 . TRP A 427 ? 1.4969 0.5387 0.4222 0.0273 -0.0401 0.0165 455 TRP A CD2 3011 N NE1 . TRP A 427 ? 1.4001 0.4639 0.3644 0.0181 -0.0256 0.0116 455 TRP A NE1 3012 C CE2 . TRP A 427 ? 1.4461 0.5071 0.3904 0.0143 -0.0516 0.0134 455 TRP A CE2 3013 C CE3 . TRP A 427 ? 1.5999 0.6351 0.5017 0.0273 -0.0621 0.0194 455 TRP A CE3 3014 C CZ2 . TRP A 427 ? 1.4815 0.5563 0.4237 0.0006 -0.0838 0.0129 455 TRP A CZ2 3015 C CZ3 . TRP A 427 ? 1.6576 0.7084 0.5583 0.0143 -0.0948 0.0193 455 TRP A CZ3 3016 C CH2 . TRP A 427 ? 1.6939 0.7648 0.6155 0.0006 -0.1052 0.0159 455 TRP A CH2 3017 N N . SER A 428 ? 1.4807 0.4844 0.3812 0.0738 0.0219 0.0300 456 SER A N 3018 C CA . SER A 428 ? 1.5842 0.5552 0.4580 0.0871 0.0434 0.0334 456 SER A CA 3019 C C . SER A 428 ? 1.6733 0.5974 0.5163 0.0940 0.0715 0.0306 456 SER A C 3020 O O . SER A 428 ? 1.6520 0.5645 0.4952 0.1047 0.0999 0.0333 456 SER A O 3021 C CB . SER A 428 ? 1.6681 0.6162 0.5019 0.0899 0.0225 0.0368 456 SER A CB 3022 O OG . SER A 428 ? 1.7938 0.7178 0.5923 0.0817 -0.0007 0.0336 456 SER A OG 3023 N N . ASP A 429 ? 1.6132 0.5119 0.4325 0.0880 0.0654 0.0259 457 ASP A N 3024 C CA . ASP A 429 ? 1.7819 0.6337 0.5710 0.0961 0.0928 0.0240 457 ASP A CA 3025 C C . ASP A 429 ? 1.6482 0.5287 0.4831 0.0976 0.1171 0.0234 457 ASP A C 3026 O O . ASP A 429 ? 1.6926 0.5408 0.5099 0.1041 0.1392 0.0223 457 ASP A O 3027 C CB . ASP A 429 ? 1.9783 0.7801 0.7139 0.0906 0.0783 0.0201 457 ASP A CB 3028 C CG . ASP A 429 ? 1.9479 0.7717 0.7047 0.0763 0.0615 0.0162 457 ASP A CG 3029 O OD1 . ASP A 429 ? 1.7510 0.6248 0.5625 0.0723 0.0654 0.0161 457 ASP A OD1 3030 O OD2 . ASP A 429 ? 2.0486 0.8364 0.7639 0.0687 0.0443 0.0135 457 ASP A OD2 3031 N N . GLY A 430 ? 1.8907 0.8311 0.7830 0.0919 0.1122 0.0246 458 GLY A N 3032 C CA . GLY A 430 ? 1.6565 0.6314 0.5973 0.0938 0.1351 0.0255 458 GLY A CA 3033 C C . GLY A 430 ? 1.5532 0.5332 0.5052 0.0875 0.1341 0.0217 458 GLY A C 3034 O O . GLY A 430 ? 1.4621 0.4679 0.4517 0.0902 0.1542 0.0228 458 GLY A O 3035 N N . SER A 431 ? 1.6678 0.6245 0.5887 0.0789 0.1114 0.0180 459 SER A N 3036 C CA . SER A 431 ? 1.5826 0.5388 0.5097 0.0726 0.1109 0.0148 459 SER A CA 3037 C C . SER A 431 ? 1.4806 0.5008 0.4654 0.0621 0.0978 0.0144 459 SER A C 3038 O O . SER A 431 ? 1.3627 0.4219 0.3741 0.0574 0.0814 0.0160 459 SER A O 3039 C CB . SER A 431 ? 1.8404 0.7497 0.7144 0.0648 0.0899 0.0116 459 SER A CB 3040 O OG . SER A 431 ? 1.8373 0.7727 0.7180 0.0519 0.0555 0.0110 459 SER A OG 3041 N N . LEU A 432 ? 1.6560 0.6856 0.6593 0.0596 0.1064 0.0128 460 LEU A N 3042 C CA . LEU A 432 ? 1.4548 0.5414 0.5090 0.0496 0.0946 0.0122 460 LEU A CA 3043 C C . LEU A 432 ? 1.5036 0.6021 0.5519 0.0356 0.0589 0.0104 460 LEU A C 3044 O O . LEU A 432 ? 1.7635 0.8220 0.7678 0.0302 0.0442 0.0083 460 LEU A O 3045 C CB . LEU A 432 ? 1.4027 0.4891 0.4689 0.0496 0.1087 0.0109 460 LEU A CB 3046 C CG . LEU A 432 ? 1.3657 0.4615 0.4573 0.0631 0.1428 0.0142 460 LEU A CG 3047 C CD1 . LEU A 432 ? 1.3780 0.4644 0.4729 0.0656 0.1571 0.0136 460 LEU A CD1 3048 C CD2 . LEU A 432 ? 1.2082 0.3666 0.3577 0.0622 0.1454 0.0173 460 LEU A CD2 3049 N N . VAL A 433 ? 1.5534 0.7078 0.6468 0.0295 0.0448 0.0117 461 VAL A N 3050 C CA . VAL A 433 ? 1.5260 0.7016 0.6240 0.0165 0.0118 0.0107 461 VAL A CA 3051 C C . VAL A 433 ? 1.4458 0.6409 0.5655 0.0071 0.0087 0.0081 461 VAL A C 3052 O O . VAL A 433 ? 1.3061 0.5499 0.4729 0.0050 0.0106 0.0089 461 VAL A O 3053 C CB . VAL A 433 ? 1.2834 0.5077 0.4177 0.0162 -0.0014 0.0139 461 VAL A CB 3054 C CG1 . VAL A 433 ? 1.1889 0.4307 0.3228 0.0052 -0.0358 0.0140 461 VAL A CG1 3055 C CG2 . VAL A 433 ? 1.3715 0.5801 0.4933 0.0284 0.0125 0.0173 461 VAL A CG2 3056 N N . SER A 434 ? 1.3798 0.5341 0.4621 0.0010 0.0032 0.0055 462 SER A N 3057 C CA . SER A 434 ? 1.4188 0.5792 0.5108 -0.0082 0.0008 0.0032 462 SER A CA 3058 C C . SER A 434 ? 1.3349 0.5076 0.4247 -0.0249 -0.0319 0.0020 462 SER A C 3059 O O . SER A 434 ? 1.3626 0.5402 0.4593 -0.0345 -0.0364 0.0004 462 SER A O 3060 C CB . SER A 434 ? 1.7656 0.8666 0.8154 -0.0026 0.0215 0.0019 462 SER A CB 3061 O OG . SER A 434 ? 1.8876 0.9728 0.9345 0.0139 0.0507 0.0036 462 SER A OG 3062 N N . PHE A 435 ? 1.2667 0.4420 0.3452 -0.0283 -0.0541 0.0032 463 PHE A N 3063 C CA . PHE A 435 ? 1.2785 0.4656 0.3544 -0.0439 -0.0860 0.0027 463 PHE A CA 3064 C C . PHE A 435 ? 1.2645 0.4841 0.3562 -0.0427 -0.1059 0.0058 463 PHE A C 3065 O O . PHE A 435 ? 1.4143 0.6149 0.4871 -0.0314 -0.0980 0.0076 463 PHE A O 3066 C CB . PHE A 435 ? 1.4219 0.5450 0.4374 -0.0505 -0.0919 0.0007 463 PHE A CB 3067 C CG . PHE A 435 ? 1.6102 0.7392 0.6151 -0.0658 -0.1262 0.0009 463 PHE A CG 3068 C CD1 . PHE A 435 ? 1.5713 0.7216 0.5936 -0.0820 -0.1431 -0.0001 463 PHE A CD1 3069 C CD2 . PHE A 435 ? 1.7680 0.8815 0.7454 -0.0640 -0.1414 0.0024 463 PHE A CD2 3070 C CE1 . PHE A 435 ? 1.7536 0.9126 0.7696 -0.0967 -0.1745 0.0006 463 PHE A CE1 3071 C CE2 . PHE A 435 ? 1.8765 0.9992 0.8468 -0.0779 -0.1734 0.0032 463 PHE A CE2 3072 C CZ . PHE A 435 ? 1.9122 1.0585 0.9029 -0.0946 -0.1900 0.0023 463 PHE A CZ 3073 N N . THR A 436 ? 1.3907 0.6584 0.5168 -0.0535 -0.1308 0.0071 464 THR A N 3074 C CA . THR A 436 ? 1.5213 0.8209 0.6622 -0.0528 -0.1527 0.0110 464 THR A CA 3075 C C . THR A 436 ? 1.7397 1.0635 0.8915 -0.0689 -0.1831 0.0115 464 THR A C 3076 O O . THR A 436 ? 1.6937 1.0384 0.8691 -0.0794 -0.1865 0.0098 464 THR A O 3077 C CB . THR A 436 ? 1.2951 0.6496 0.4876 -0.0441 -0.1475 0.0142 464 THR A CB 3078 O OG1 . THR A 436 ? 1.1314 0.5300 0.3686 -0.0515 -0.1492 0.0131 464 THR A OG1 3079 C CG2 . THR A 436 ? 1.1345 0.4694 0.3202 -0.0292 -0.1182 0.0144 464 THR A CG2 3080 N N . HIS A 437 ? 1.4913 0.8113 0.6248 -0.0709 -0.2047 0.0143 465 HIS A N 3081 C CA . HIS A 437 ? 1.7010 1.0530 0.8511 -0.0850 -0.2354 0.0164 465 HIS A CA 3082 C C . HIS A 437 ? 1.6007 0.9979 0.7796 -0.0768 -0.2494 0.0228 465 HIS A C 3083 O O . HIS A 437 ? 1.7682 1.1425 0.9155 -0.0705 -0.2562 0.0255 465 HIS A O 3084 C CB . HIS A 437 ? 2.1471 1.4462 1.2413 -0.0962 -0.2496 0.0143 465 HIS A CB 3085 C CG . HIS A 437 ? 2.3912 1.7138 1.4994 -0.1153 -0.2764 0.0148 465 HIS A CG 3086 N ND1 . HIS A 437 ? 2.6179 1.9468 1.7144 -0.1230 -0.3048 0.0181 465 HIS A ND1 3087 C CD2 . HIS A 437 ? 2.3979 1.7380 1.5298 -0.1286 -0.2789 0.0129 465 HIS A CD2 3088 C CE1 . HIS A 437 ? 2.6944 2.0451 1.8089 -0.1408 -0.3236 0.0182 465 HIS A CE1 3089 N NE2 . HIS A 437 ? 2.5672 1.9239 1.7027 -0.1445 -0.3081 0.0150 465 HIS A NE2 3090 N N . TRP A 438 ? 1.8452 1.3053 1.0820 -0.0764 -0.2544 0.0258 466 TRP A N 3091 C CA . TRP A 438 ? 1.8559 1.3595 1.1222 -0.0663 -0.2647 0.0328 466 TRP A CA 3092 C C . TRP A 438 ? 2.0710 1.6170 1.3621 -0.0767 -0.2946 0.0374 466 TRP A C 3093 O O . TRP A 438 ? 2.1391 1.6826 1.4276 -0.0928 -0.3067 0.0347 466 TRP A O 3094 C CB . TRP A 438 ? 1.4939 1.0380 0.8072 -0.0560 -0.2483 0.0341 466 TRP A CB 3095 C CG . TRP A 438 ? 1.3480 0.8595 0.6431 -0.0429 -0.2200 0.0320 466 TRP A CG 3096 C CD1 . TRP A 438 ? 1.0849 0.5869 0.3864 -0.0420 -0.1967 0.0272 466 TRP A CD1 3097 C CD2 . TRP A 438 ? 1.4122 0.8993 0.6825 -0.0287 -0.2120 0.0355 466 TRP A CD2 3098 N NE1 . TRP A 438 ? 1.0319 0.5067 0.3158 -0.0288 -0.1747 0.0274 466 TRP A NE1 3099 C CE2 . TRP A 438 ? 1.1856 0.6495 0.4497 -0.0207 -0.1832 0.0323 466 TRP A CE2 3100 C CE3 . TRP A 438 ? 1.4760 0.9588 0.7287 -0.0220 -0.2262 0.0416 466 TRP A CE3 3101 C CZ2 . TRP A 438 ? 1.1772 0.6127 0.4185 -0.0072 -0.1676 0.0346 466 TRP A CZ2 3102 C CZ3 . TRP A 438 ? 1.4823 0.9353 0.7104 -0.0079 -0.2109 0.0439 466 TRP A CZ3 3103 C CH2 . TRP A 438 ? 1.3983 0.8272 0.6209 -0.0010 -0.1816 0.0402 466 TRP A CH2 3104 N N . HIS A 439 ? 1.6089 1.1908 0.9224 -0.0679 -0.3051 0.0444 467 HIS A N 3105 C CA . HIS A 439 ? 1.7952 1.4327 1.1463 -0.0719 -0.3301 0.0512 467 HIS A CA 3106 C C . HIS A 439 ? 1.4217 1.1196 0.8353 -0.0666 -0.3239 0.0537 467 HIS A C 3107 O O . HIS A 439 ? 1.2385 0.9420 0.6647 -0.0529 -0.3060 0.0545 467 HIS A O 3108 C CB . HIS A 439 ? 2.2224 1.8641 1.5598 -0.0609 -0.3441 0.0597 467 HIS A CB 3109 C CG . HIS A 439 ? 2.5435 2.2476 1.9238 -0.0612 -0.3677 0.0685 467 HIS A CG 3110 N ND1 . HIS A 439 ? 2.7738 2.4936 2.1600 -0.0775 -0.3907 0.0687 467 HIS A ND1 3111 C CD2 . HIS A 439 ? 2.6114 2.3650 2.0302 -0.0463 -0.3713 0.0779 467 HIS A CD2 3112 C CE1 . HIS A 439 ? 2.8860 2.6651 2.3148 -0.0723 -0.4070 0.0779 467 HIS A CE1 3113 N NE2 . HIS A 439 ? 2.7919 2.5924 2.2407 -0.0526 -0.3953 0.0838 467 HIS A NE2 3114 N N . PRO A 440 ? 1.7083 1.4491 1.1597 -0.0775 -0.3379 0.0548 468 PRO A N 3115 C CA . PRO A 440 ? 1.5063 1.3060 1.0174 -0.0714 -0.3324 0.0575 468 PRO A CA 3116 C C . PRO A 440 ? 1.4471 1.2752 0.9772 -0.0515 -0.3307 0.0657 468 PRO A C 3117 O O . PRO A 440 ? 1.6549 1.4903 1.1765 -0.0458 -0.3466 0.0731 468 PRO A O 3118 C CB . PRO A 440 ? 1.6236 1.4626 1.1653 -0.0850 -0.3536 0.0599 468 PRO A CB 3119 C CG . PRO A 440 ? 1.7797 1.5694 1.2766 -0.1035 -0.3618 0.0543 468 PRO A CG 3120 C CD . PRO A 440 ? 1.8445 1.5783 1.2842 -0.0966 -0.3579 0.0532 468 PRO A CD 3121 N N . PHE A 441 ? 1.3782 1.2203 0.9322 -0.0409 -0.3115 0.0648 469 PHE A N 3122 C CA . PHE A 441 ? 1.4120 1.2699 0.9790 -0.0217 -0.3042 0.0717 469 PHE A CA 3123 C C . PHE A 441 ? 1.3233 1.1253 0.8419 -0.0135 -0.2915 0.0707 469 PHE A C 3124 O O . PHE A 441 ? 1.1987 1.0048 0.7210 0.0021 -0.2858 0.0771 469 PHE A O 3125 C CB . PHE A 441 ? 1.6652 1.5682 1.2577 -0.0122 -0.3231 0.0832 469 PHE A CB 3126 C CG . PHE A 441 ? 1.7010 1.6640 1.3476 -0.0150 -0.3316 0.0851 469 PHE A CG 3127 C CD1 . PHE A 441 ? 1.5776 1.5811 1.2672 -0.0021 -0.3216 0.0882 469 PHE A CD1 3128 C CD2 . PHE A 441 ? 1.8408 1.8165 1.4938 -0.0307 -0.3492 0.0835 469 PHE A CD2 3129 C CE1 . PHE A 441 ? 1.5811 1.6367 1.3191 -0.0030 -0.3276 0.0892 469 PHE A CE1 3130 C CE2 . PHE A 441 ? 1.8515 1.8795 1.5543 -0.0331 -0.3557 0.0851 469 PHE A CE2 3131 C CZ . PHE A 441 ? 1.7284 1.7961 1.4737 -0.0185 -0.3443 0.0876 469 PHE A CZ 3132 N N . GLU A 442 ? 1.2830 1.0312 0.7554 -0.0225 -0.2865 0.0637 470 GLU A N 3133 C CA . GLU A 442 ? 1.3810 1.0754 0.8083 -0.0136 -0.2715 0.0625 470 GLU A CA 3134 C C . GLU A 442 ? 1.1586 0.8204 0.5735 -0.0158 -0.2460 0.0536 470 GLU A C 3135 O O . GLU A 442 ? 1.1473 0.8107 0.5698 -0.0278 -0.2435 0.0474 470 GLU A O 3136 C CB . GLU A 442 ? 1.6879 1.3406 1.0651 -0.0183 -0.2840 0.0628 470 GLU A CB 3137 C CG . GLU A 442 ? 1.9191 1.6037 1.3059 -0.0172 -0.3108 0.0721 470 GLU A CG 3138 C CD . GLU A 442 ? 2.0438 1.7396 1.4345 0.0014 -0.3109 0.0823 470 GLU A CD 3139 O OE1 . GLU A 442 ? 2.0478 1.7240 1.4327 0.0125 -0.2903 0.0817 470 GLU A OE1 3140 O OE2 . GLU A 442 ? 2.1749 1.8980 1.5735 0.0050 -0.3316 0.0917 470 GLU A OE2 3141 N N . PRO A 443 ? 1.4143 1.0459 0.8097 -0.0038 -0.2265 0.0536 471 PRO A N 3142 C CA . PRO A 443 ? 1.4572 1.0817 0.8421 0.0114 -0.2260 0.0611 471 PRO A CA 3143 C C . PRO A 443 ? 1.3838 1.0607 0.8156 0.0207 -0.2320 0.0684 471 PRO A C 3144 O O . PRO A 443 ? 1.2385 0.9517 0.7094 0.0170 -0.2295 0.0660 471 PRO A O 3145 C CB . PRO A 443 ? 1.3277 0.9062 0.6847 0.0184 -0.1984 0.0569 471 PRO A CB 3146 C CG . PRO A 443 ? 1.3346 0.8899 0.6783 0.0070 -0.1872 0.0481 471 PRO A CG 3147 C CD . PRO A 443 ? 1.2857 0.8842 0.6660 -0.0049 -0.2013 0.0462 471 PRO A CD 3148 N N . ASN A 444 ? 1.3642 1.0431 0.7905 0.0335 -0.2393 0.0776 472 ASN A N 3149 C CA . ASN A 444 ? 1.4293 1.1579 0.8978 0.0437 -0.2485 0.0867 472 ASN A CA 3150 C C . ASN A 444 ? 1.4603 1.1691 0.9195 0.0613 -0.2353 0.0922 472 ASN A C 3151 O O . ASN A 444 ? 1.2596 0.9895 0.7487 0.0689 -0.2268 0.0932 472 ASN A O 3152 C CB . ASN A 444 ? 1.6475 1.4093 1.1267 0.0426 -0.2748 0.0956 472 ASN A CB 3153 C CG . ASN A 444 ? 1.9245 1.6506 1.3596 0.0483 -0.2824 0.1012 472 ASN A CG 3154 O OD1 . ASN A 444 ? 1.9916 1.6648 1.3855 0.0517 -0.2673 0.0972 472 ASN A OD1 3155 N ND2 . ASN A 444 ? 2.0953 1.8511 1.5390 0.0499 -0.3053 0.1108 472 ASN A ND2 3156 N N . ASN A 445 ? 1.6641 1.3314 1.0812 0.0683 -0.2338 0.0957 473 ASN A N 3157 C CA . ASN A 445 ? 1.7119 1.3649 1.1204 0.0863 -0.2275 0.1042 473 ASN A CA 3158 C C . ASN A 445 ? 1.7859 1.4885 1.2297 0.0960 -0.2469 0.1170 473 ASN A C 3159 O O . ASN A 445 ? 1.6860 1.4149 1.1633 0.1061 -0.2428 0.1211 473 ASN A O 3160 C CB . ASN A 445 ? 1.5381 1.1735 0.9514 0.0933 -0.2024 0.0996 473 ASN A CB 3161 C CG . ASN A 445 ? 1.4116 0.9939 0.7861 0.0883 -0.1800 0.0909 473 ASN A CG 3162 O OD1 . ASN A 445 ? 1.5187 1.0672 0.8551 0.0847 -0.1810 0.0896 473 ASN A OD1 3163 N ND2 . ASN A 445 ? 1.1364 0.7116 0.5209 0.0885 -0.1590 0.0853 473 ASN A ND2 3164 N N . PHE A 446 ? 1.5608 1.2744 0.9950 0.0930 -0.2679 0.1237 474 PHE A N 3165 C CA . PHE A 446 ? 1.7047 1.4731 1.1750 0.0993 -0.2888 0.1368 474 PHE A CA 3166 C C . PHE A 446 ? 1.7863 1.5620 1.2728 0.1204 -0.2828 0.1482 474 PHE A C 3167 O O . PHE A 446 ? 1.7890 1.5188 1.2432 0.1313 -0.2692 0.1489 474 PHE A O 3168 C CB . PHE A 446 ? 1.9774 1.7428 1.4219 0.0956 -0.3099 0.1430 474 PHE A CB 3169 C CG . PHE A 446 ? 2.1199 1.9444 1.6003 0.0881 -0.3330 0.1483 474 PHE A CG 3170 C CD1 . PHE A 446 ? 2.0628 1.9468 1.5972 0.0969 -0.3376 0.1578 474 PHE A CD1 3171 C CD2 . PHE A 446 ? 2.2895 2.1082 1.7487 0.0728 -0.3493 0.1436 474 PHE A CD2 3172 C CE1 . PHE A 446 ? 2.1468 2.0865 1.7148 0.0915 -0.3570 0.1622 474 PHE A CE1 3173 C CE2 . PHE A 446 ? 2.3501 2.2213 1.8414 0.0658 -0.3702 0.1473 474 PHE A CE2 3174 C CZ . PHE A 446 ? 2.2758 2.2089 1.8224 0.0757 -0.3737 0.1564 474 PHE A CZ 3175 N N . ARG A 447 ? 1.8103 1.6425 1.3467 0.1265 -0.2918 0.1572 475 ARG A N 3176 C CA . ARG A 447 ? 1.8271 1.6691 1.3875 0.1463 -0.2836 0.1663 475 ARG A CA 3177 C C . ARG A 447 ? 1.5914 1.3954 1.1405 0.1476 -0.2586 0.1529 475 ARG A C 3178 O O . ARG A 447 ? 1.4618 1.2700 1.0185 0.1333 -0.2525 0.1408 475 ARG A O 3179 C CB . ARG A 447 ? 2.0814 1.9068 1.6214 0.1629 -0.2895 0.1805 475 ARG A CB 3180 C CG . ARG A 447 ? 2.1701 2.0251 1.7473 0.1830 -0.2902 0.1947 475 ARG A CG 3181 C CD . ARG A 447 ? 2.2033 2.1309 1.8365 0.1784 -0.3064 0.2039 475 ARG A CD 3182 N NE . ARG A 447 ? 2.3921 2.3499 2.0231 0.1698 -0.3290 0.2126 475 ARG A NE 3183 C CZ . ARG A 447 ? 2.3988 2.4153 2.0652 0.1602 -0.3424 0.2149 475 ARG A CZ 3184 N NH1 . ARG A 447 ? 2.2442 2.2960 1.9525 0.1568 -0.3352 0.2104 475 ARG A NH1 3185 N NH2 . ARG A 447 ? 2.5586 2.5970 2.2160 0.1553 -0.3622 0.2199 475 ARG A NH2 3186 N N . ASP A 448 ? 1.8620 1.6298 1.3935 0.1642 -0.2432 0.1548 476 ASP A N 3187 C CA . ASP A 448 ? 1.6831 1.4019 1.1871 0.1630 -0.2188 0.1424 476 ASP A CA 3188 C C . ASP A 448 ? 1.7884 1.4537 1.2416 0.1675 -0.2122 0.1446 476 ASP A C 3189 O O . ASP A 448 ? 1.8149 1.4609 1.2572 0.1846 -0.2067 0.1529 476 ASP A O 3190 C CB . ASP A 448 ? 1.6024 1.3215 1.1273 0.1776 -0.2030 0.1413 476 ASP A CB 3191 C CG . ASP A 448 ? 1.4216 1.1371 0.9544 0.1672 -0.1880 0.1275 476 ASP A CG 3192 O OD1 . ASP A 448 ? 1.2873 1.0470 0.8562 0.1588 -0.1966 0.1243 476 ASP A OD1 3193 O OD2 . ASP A 448 ? 1.4100 1.0798 0.9142 0.1672 -0.1671 0.1209 476 ASP A OD2 3194 N N . SER A 449 ? 1.5950 1.2348 1.0167 0.1525 -0.2113 0.1370 477 SER A N 3195 C CA . SER A 449 ? 1.7483 1.3379 1.1202 0.1551 -0.2055 0.1384 477 SER A CA 3196 C C . SER A 449 ? 1.5889 1.1470 0.9330 0.1389 -0.1939 0.1255 477 SER A C 3197 O O . SER A 449 ? 1.5351 1.1162 0.8947 0.1241 -0.2015 0.1187 477 SER A O 3198 C CB . SER A 449 ? 2.0524 1.6560 1.4149 0.1580 -0.2296 0.1500 477 SER A CB 3199 O OG . SER A 449 ? 2.1160 1.7460 1.4853 0.1410 -0.2478 0.1464 477 SER A OG 3200 N N . LEU A 450 ? 1.6901 1.1953 0.9933 0.1422 -0.1750 0.1231 478 LEU A N 3201 C CA . LEU A 450 ? 1.4607 0.9340 0.7380 0.1291 -0.1607 0.1120 478 LEU A CA 3202 C C . LEU A 450 ? 1.5949 1.0606 0.8453 0.1205 -0.1782 0.1116 478 LEU A C 3203 O O . LEU A 450 ? 1.7614 1.2041 0.9803 0.1277 -0.1845 0.1183 478 LEU A O 3204 C CB . LEU A 450 ? 1.3677 0.7898 0.6135 0.1356 -0.1325 0.1103 478 LEU A CB 3205 C CG . LEU A 450 ? 1.2700 0.6909 0.5352 0.1448 -0.1139 0.1118 478 LEU A CG 3206 C CD1 . LEU A 450 ? 1.4310 0.8024 0.6622 0.1528 -0.0908 0.1139 478 LEU A CD1 3207 C CD2 . LEU A 450 ? 1.0874 0.5243 0.3799 0.1346 -0.1013 0.1028 478 LEU A CD2 3208 N N . GLU A 451 ? 1.3525 0.8351 0.6134 0.1051 -0.1859 0.1039 479 GLU A N 3209 C CA . GLU A 451 ? 1.5345 0.9977 0.7629 0.0948 -0.1973 0.1005 479 GLU A CA 3210 C C . GLU A 451 ? 1.3840 0.8126 0.5934 0.0858 -0.1749 0.0888 479 GLU A C 3211 O O . GLU A 451 ? 1.3046 0.7534 0.5377 0.0747 -0.1737 0.0817 479 GLU A O 3212 C CB . GLU A 451 ? 1.6857 1.1966 0.9418 0.0846 -0.2253 0.1023 479 GLU A CB 3213 C CG . GLU A 451 ? 1.9376 1.4892 1.2191 0.0952 -0.2454 0.1159 479 GLU A CG 3214 C CD . GLU A 451 ? 2.1482 1.7479 1.4553 0.0851 -0.2731 0.1193 479 GLU A CD 3215 O OE1 . GLU A 451 ? 2.0716 1.6927 1.4013 0.0715 -0.2748 0.1113 479 GLU A OE1 3216 O OE2 . GLU A 451 ? 2.3763 1.9934 1.6817 0.0909 -0.2929 0.1305 479 GLU A OE2 3217 N N . ASP A 452 ? 1.5319 0.9092 0.6993 0.0913 -0.1567 0.0875 480 ASP A N 3218 C CA . ASP A 452 ? 1.3803 0.7256 0.5336 0.0868 -0.1298 0.0786 480 ASP A CA 3219 C C . ASP A 452 ? 1.5152 0.8247 0.6292 0.0785 -0.1304 0.0723 480 ASP A C 3220 O O . ASP A 452 ? 1.3517 0.6317 0.4512 0.0765 -0.1069 0.0660 480 ASP A O 3221 C CB . ASP A 452 ? 1.3106 0.6247 0.4492 0.0986 -0.1035 0.0813 480 ASP A CB 3222 C CG . ASP A 452 ? 1.2640 0.6071 0.4410 0.1055 -0.0978 0.0855 480 ASP A CG 3223 O OD1 . ASP A 452 ? 1.2608 0.6467 0.4766 0.1003 -0.1095 0.0844 480 ASP A OD1 3224 O OD2 . ASP A 452 ? 1.3245 0.6465 0.4922 0.1159 -0.0813 0.0899 480 ASP A OD2 3225 N N . CYS A 453 ? 1.3123 0.6223 0.4079 0.0741 -0.1557 0.0745 481 CYS A N 3226 C CA . CYS A 453 ? 1.4734 0.7429 0.5251 0.0668 -0.1577 0.0689 481 CYS A CA 3227 C C . CYS A 453 ? 1.5698 0.8672 0.6334 0.0527 -0.1859 0.0672 481 CYS A C 3228 O O . CYS A 453 ? 1.6478 0.9942 0.7469 0.0513 -0.2070 0.0728 481 CYS A O 3229 C CB . CYS A 453 ? 1.7058 0.9320 0.7070 0.0763 -0.1584 0.0737 481 CYS A CB 3230 S SG . CYS A 453 ? 1.5662 0.7530 0.5487 0.0914 -0.1219 0.0750 481 CYS A SG 3231 N N . VAL A 454 ? 1.5212 0.7867 0.5552 0.0426 -0.1851 0.0597 482 VAL A N 3232 C CA . VAL A 454 ? 1.4826 0.7713 0.5309 0.0267 -0.2060 0.0561 482 VAL A CA 3233 C C . VAL A 454 ? 1.7190 0.9769 0.7209 0.0202 -0.2268 0.0562 482 VAL A C 3234 O O . VAL A 454 ? 1.8848 1.0859 0.8345 0.0242 -0.2158 0.0536 482 VAL A O 3235 C CB . VAL A 454 ? 1.4161 0.6962 0.4741 0.0185 -0.1875 0.0471 482 VAL A CB 3236 C CG1 . VAL A 454 ? 1.4068 0.7094 0.4798 0.0016 -0.2081 0.0435 482 VAL A CG1 3237 C CG2 . VAL A 454 ? 1.3494 0.6604 0.4517 0.0249 -0.1679 0.0474 482 VAL A CG2 3238 N N . THR A 455 ? 1.5276 0.8237 0.5489 0.0102 -0.2568 0.0593 483 THR A N 3239 C CA . THR A 455 ? 1.8397 1.1146 0.8224 0.0011 -0.2811 0.0597 483 THR A CA 3240 C C . THR A 455 ? 1.9187 1.1985 0.9073 -0.0182 -0.2930 0.0529 483 THR A C 3241 O O . THR A 455 ? 1.7414 1.0458 0.7671 -0.0239 -0.2836 0.0486 483 THR A O 3242 C CB . THR A 455 ? 1.9136 1.2297 0.9120 0.0049 -0.3088 0.0708 483 THR A CB 3243 O OG1 . THR A 455 ? 1.7805 1.1650 0.8409 -0.0006 -0.3223 0.0742 483 THR A OG1 3244 C CG2 . THR A 455 ? 1.8995 1.2097 0.8915 0.0242 -0.2978 0.0788 483 THR A CG2 3245 N N . ILE A 456 ? 1.8757 1.1280 0.8236 -0.0283 -0.3136 0.0519 484 ILE A N 3246 C CA . ILE A 456 ? 1.9808 1.2327 0.9268 -0.0482 -0.3297 0.0465 484 ILE A CA 3247 C C . ILE A 456 ? 2.1007 1.4073 1.0771 -0.0581 -0.3647 0.0531 484 ILE A C 3248 O O . ILE A 456 ? 2.3055 1.6045 1.2678 -0.0752 -0.3842 0.0501 484 ILE A O 3249 C CB . ILE A 456 ? 1.8744 1.0499 0.7503 -0.0547 -0.3258 0.0396 484 ILE A CB 3250 C CG1 . ILE A 456 ? 1.8028 0.9300 0.6547 -0.0426 -0.2890 0.0345 484 ILE A CG1 3251 C CG2 . ILE A 456 ? 1.9077 1.0763 0.7817 -0.0752 -0.3365 0.0334 484 ILE A CG2 3252 C CD1 . ILE A 456 ? 1.8037 0.8852 0.6290 -0.0526 -0.2752 0.0258 484 ILE A CD1 3253 N N . TRP A 457 ? 2.0411 1.4005 1.0565 -0.0470 -0.3729 0.0627 485 TRP A N 3254 C CA . TRP A 457 ? 2.1489 1.5628 1.1938 -0.0529 -0.4050 0.0710 485 TRP A CA 3255 C C . TRP A 457 ? 2.0207 1.4607 1.0927 -0.0734 -0.4196 0.0665 485 TRP A C 3256 O O . TRP A 457 ? 1.8042 1.2634 0.9120 -0.0772 -0.4053 0.0619 485 TRP A O 3257 C CB . TRP A 457 ? 2.2001 1.6748 1.2993 -0.0366 -0.4026 0.0813 485 TRP A CB 3258 C CG . TRP A 457 ? 2.2129 1.7644 1.3697 -0.0395 -0.4271 0.0903 485 TRP A CG 3259 C CD1 . TRP A 457 ? 2.0825 1.6701 1.2732 -0.0561 -0.4417 0.0876 485 TRP A CD1 3260 C CD2 . TRP A 457 ? 2.2904 1.8909 1.4780 -0.0237 -0.4372 0.1041 485 TRP A CD2 3261 N NE1 . TRP A 457 ? 2.0691 1.7253 1.3097 -0.0513 -0.4599 0.0984 485 TRP A NE1 3262 C CE2 . TRP A 457 ? 2.2026 1.8685 1.4423 -0.0308 -0.4574 0.1090 485 TRP A CE2 3263 C CE3 . TRP A 457 ? 2.3513 1.9450 1.5268 -0.0035 -0.4303 0.1134 485 TRP A CE3 3264 C CZ2 . TRP A 457 ? 2.2138 1.9392 1.4937 -0.0171 -0.4703 0.1231 485 TRP A CZ2 3265 C CZ3 . TRP A 457 ? 2.3328 1.9837 1.5468 0.0093 -0.4438 0.1279 485 TRP A CZ3 3266 C CH2 . TRP A 457 ? 2.2806 1.9974 1.5465 0.0032 -0.4633 0.1328 485 TRP A CH2 3267 N N . GLY A 458 ? 2.0157 1.4554 1.0694 -0.0872 -0.4485 0.0682 486 GLY A N 3268 C CA . GLY A 458 ? 2.0618 1.5187 1.1340 -0.1087 -0.4641 0.0641 486 GLY A CA 3269 C C . GLY A 458 ? 2.3007 1.6888 1.3117 -0.1257 -0.4678 0.0551 486 GLY A C 3270 O O . GLY A 458 ? 2.2290 1.5516 1.1850 -0.1198 -0.4505 0.0498 486 GLY A O 3271 N N . PRO A 459 ? 2.0115 1.4124 1.0300 -0.1469 -0.4906 0.0539 487 PRO A N 3272 C CA . PRO A 459 ? 2.4113 1.7442 1.3669 -0.1644 -0.4979 0.0463 487 PRO A CA 3273 C C . PRO A 459 ? 2.4059 1.6864 1.3378 -0.1677 -0.4700 0.0366 487 PRO A C 3274 O O . PRO A 459 ? 2.5622 1.7693 1.4283 -0.1678 -0.4609 0.0310 487 PRO A O 3275 C CB . PRO A 459 ? 2.5215 1.8929 1.5028 -0.1864 -0.5300 0.0491 487 PRO A CB 3276 C CG . PRO A 459 ? 2.3740 1.8244 1.4364 -0.1822 -0.5265 0.0540 487 PRO A CG 3277 C CD . PRO A 459 ? 2.0912 1.5667 1.1748 -0.1561 -0.5099 0.0595 487 PRO A CD 3278 N N . GLU A 460 ? 2.5697 1.8847 1.5518 -0.1694 -0.4556 0.0349 488 GLU A N 3279 C CA . GLU A 460 ? 2.5187 1.7893 1.4809 -0.1769 -0.4350 0.0268 488 GLU A CA 3280 C C . GLU A 460 ? 2.4284 1.6673 1.3776 -0.1579 -0.3990 0.0232 488 GLU A C 3281 O O . GLU A 460 ? 2.3255 1.5280 1.2587 -0.1610 -0.3789 0.0174 488 GLU A O 3282 C CB . GLU A 460 ? 2.3596 1.6808 1.3796 -0.1896 -0.4382 0.0270 488 GLU A CB 3283 C CG . GLU A 460 ? 2.0478 1.4257 1.1311 -0.1749 -0.4193 0.0294 488 GLU A CG 3284 C CD . GLU A 460 ? 1.9816 1.4339 1.1324 -0.1841 -0.4351 0.0342 488 GLU A CD 3285 O OE1 . GLU A 460 ? 2.1386 1.6179 1.2982 -0.1937 -0.4637 0.0393 488 GLU A OE1 3286 O OE2 . GLU A 460 ? 1.7513 1.2348 0.9459 -0.1814 -0.4189 0.0332 488 GLU A OE2 3287 N N . GLY A 461 ? 2.5131 1.7645 1.4685 -0.1385 -0.3900 0.0271 489 GLY A N 3288 C CA . GLY A 461 ? 2.3191 1.5354 1.2563 -0.1210 -0.3571 0.0242 489 GLY A CA 3289 C C . GLY A 461 ? 1.9876 1.2522 0.9828 -0.1087 -0.3367 0.0257 489 GLY A C 3290 O O . GLY A 461 ? 2.0044 1.2404 0.9879 -0.0968 -0.3079 0.0226 489 GLY A O 3291 N N . ARG A 462 ? 2.4039 1.7401 1.4607 -0.1111 -0.3503 0.0306 490 ARG A N 3292 C CA . ARG A 462 ? 1.9617 1.3440 1.0721 -0.0991 -0.3324 0.0324 490 ARG A CA 3293 C C . ARG A 462 ? 1.8200 1.2114 0.9318 -0.0797 -0.3265 0.0383 490 ARG A C 3294 O O . ARG A 462 ? 2.0163 1.4039 1.1070 -0.0769 -0.3440 0.0434 490 ARG A O 3295 C CB . ARG A 462 ? 1.9059 1.3584 1.0797 -0.1081 -0.3476 0.0356 490 ARG A CB 3296 C CG . ARG A 462 ? 1.8598 1.3741 1.0768 -0.0987 -0.3623 0.0448 490 ARG A CG 3297 C CD . ARG A 462 ? 2.1148 1.6309 1.3113 -0.1036 -0.3914 0.0503 490 ARG A CD 3298 N NE . ARG A 462 ? 2.1125 1.6920 1.3545 -0.0930 -0.4043 0.0604 490 ARG A NE 3299 C CZ . ARG A 462 ? 2.1716 1.7589 1.4171 -0.0735 -0.3950 0.0662 490 ARG A CZ 3300 N NH1 . ARG A 462 ? 2.2229 1.7597 1.4306 -0.0632 -0.3726 0.0625 490 ARG A NH1 3301 N NH2 . ARG A 462 ? 2.1541 1.7989 1.4407 -0.0637 -0.4072 0.0764 490 ARG A NH2 3302 N N . TRP A 463 ? 2.0551 1.4571 1.1903 -0.0666 -0.3018 0.0379 491 TRP A N 3303 C CA . TRP A 463 ? 1.8689 1.2610 0.9930 -0.0483 -0.2899 0.0422 491 TRP A CA 3304 C C . TRP A 463 ? 1.6832 1.1386 0.8607 -0.0385 -0.2960 0.0503 491 TRP A C 3305 O O . TRP A 463 ? 1.6709 1.1804 0.8978 -0.0445 -0.3063 0.0521 491 TRP A O 3306 C CB . TRP A 463 ? 1.6409 0.9936 0.7479 -0.0392 -0.2564 0.0370 491 TRP A CB 3307 C CG . TRP A 463 ? 1.7269 1.0206 0.7872 -0.0469 -0.2465 0.0297 491 TRP A CG 3308 C CD1 . TRP A 463 ? 1.9710 1.2280 0.9877 -0.0578 -0.2631 0.0277 491 TRP A CD1 3309 C CD2 . TRP A 463 ? 1.6668 0.9306 0.7190 -0.0440 -0.2175 0.0240 491 TRP A CD2 3310 N NE1 . TRP A 463 ? 2.0597 1.2624 1.0391 -0.0612 -0.2454 0.0211 491 TRP A NE1 3311 C CE2 . TRP A 463 ? 1.8102 1.0177 0.8120 -0.0522 -0.2169 0.0191 491 TRP A CE2 3312 C CE3 . TRP A 463 ? 1.4815 0.7612 0.5640 -0.0350 -0.1920 0.0231 491 TRP A CE3 3313 C CZ2 . TRP A 463 ? 1.7534 0.9205 0.7351 -0.0502 -0.1908 0.0142 491 TRP A CZ2 3314 C CZ3 . TRP A 463 ? 1.4294 0.6723 0.4941 -0.0338 -0.1669 0.0180 491 TRP A CZ3 3315 C CH2 . TRP A 463 ? 1.5647 0.7522 0.5799 -0.0406 -0.1659 0.0139 491 TRP A CH2 3316 N N . ASN A 464 ? 1.6332 1.0786 0.7988 -0.0224 -0.2878 0.0555 492 ASN A N 3317 C CA . ASN A 464 ? 1.5348 1.0297 0.7426 -0.0101 -0.2906 0.0642 492 ASN A CA 3318 C C . ASN A 464 ? 1.4826 0.9455 0.6692 0.0067 -0.2682 0.0661 492 ASN A C 3319 O O . ASN A 464 ? 1.7321 1.1407 0.8677 0.0100 -0.2602 0.0641 492 ASN A O 3320 C CB . ASN A 464 ? 1.8114 1.3403 1.0280 -0.0099 -0.3203 0.0739 492 ASN A CB 3321 C CG . ASN A 464 ? 1.8876 1.4573 1.1379 0.0067 -0.3212 0.0848 492 ASN A CG 3322 O OD1 . ASN A 464 ? 1.7953 1.3841 1.0776 0.0141 -0.3045 0.0846 492 ASN A OD1 3323 N ND2 . ASN A 464 ? 2.0752 1.6566 1.3168 0.0131 -0.3408 0.0949 492 ASN A ND2 3324 N N . ASP A 465 ? 1.6535 1.1486 0.8781 0.0172 -0.2578 0.0701 493 ASP A N 3325 C CA . ASP A 465 ? 1.6386 1.1078 0.8474 0.0331 -0.2384 0.0734 493 ASP A CA 3326 C C . ASP A 465 ? 1.7646 1.2568 0.9808 0.0450 -0.2543 0.0855 493 ASP A C 3327 O O . ASP A 465 ? 1.7203 1.2668 0.9809 0.0465 -0.2685 0.0920 493 ASP A O 3328 C CB . ASP A 465 ? 1.4040 0.8856 0.6440 0.0375 -0.2150 0.0701 493 ASP A CB 3329 C CG . ASP A 465 ? 1.4011 0.9443 0.6972 0.0396 -0.2250 0.0751 493 ASP A CG 3330 O OD1 . ASP A 465 ? 1.5141 1.0961 0.8343 0.0313 -0.2468 0.0772 493 ASP A OD1 3331 O OD2 . ASP A 465 ? 1.3930 0.9451 0.7088 0.0496 -0.2107 0.0772 493 ASP A OD2 3332 N N . SER A 466 ? 1.4625 0.9139 0.6353 0.0543 -0.2513 0.0894 494 SER A N 3333 C CA . SER A 466 ? 1.6700 1.1356 0.8406 0.0659 -0.2673 0.1019 494 SER A CA 3334 C C . SER A 466 ? 1.7704 1.1927 0.9099 0.0814 -0.2464 0.1049 494 SER A C 3335 O O . SER A 466 ? 1.6736 1.0517 0.7864 0.0809 -0.2224 0.0968 494 SER A O 3336 C CB . SER A 466 ? 1.9098 1.3705 1.0523 0.0583 -0.2937 0.1047 494 SER A CB 3337 O OG . SER A 466 ? 2.0008 1.4026 1.0901 0.0515 -0.2853 0.0959 494 SER A OG 3338 N N . PRO A 467 ? 1.6529 1.0876 0.7970 0.0959 -0.2534 0.1171 495 PRO A N 3339 C CA . PRO A 467 ? 1.6695 1.0623 0.7852 0.1109 -0.2323 0.1203 495 PRO A CA 3340 C C . PRO A 467 ? 1.6702 1.0022 0.7257 0.1094 -0.2232 0.1154 495 PRO A C 3341 O O . PRO A 467 ? 1.8673 1.1892 0.8941 0.1038 -0.2424 0.1165 495 PRO A O 3342 C CB . PRO A 467 ? 1.8392 1.2577 0.9671 0.1253 -0.2483 0.1358 495 PRO A CB 3343 C CG . PRO A 467 ? 1.9555 1.4236 1.1079 0.1168 -0.2797 0.1410 495 PRO A CG 3344 C CD . PRO A 467 ? 1.7745 1.2641 0.9539 0.1004 -0.2787 0.1294 495 PRO A CD 3345 N N . CYS A 468 ? 1.6294 0.9209 0.6661 0.1147 -0.1930 0.1102 496 CYS A N 3346 C CA . CYS A 468 ? 1.7159 0.9488 0.6987 0.1139 -0.1783 0.1044 496 CYS A CA 3347 C C . CYS A 468 ? 2.0891 1.2921 1.0276 0.1242 -0.1873 0.1131 496 CYS A C 3348 O O . CYS A 468 ? 2.2926 1.4474 1.1820 0.1231 -0.1804 0.1089 496 CYS A O 3349 C CB . CYS A 468 ? 1.5353 0.7396 0.5161 0.1180 -0.1420 0.0986 496 CYS A CB 3350 S SG . CYS A 468 ? 1.4931 0.7207 0.5155 0.1055 -0.1259 0.0872 496 CYS A SG 3351 N N . ASN A 469 ? 1.6573 0.8863 0.6107 0.1350 -0.2018 0.1255 497 ASN A N 3352 C CA . ASN A 469 ? 1.8870 1.0904 0.7999 0.1459 -0.2111 0.1354 497 ASN A CA 3353 C C . ASN A 469 ? 2.0555 1.2804 0.9595 0.1396 -0.2466 0.1410 497 ASN A C 3354 O O . ASN A 469 ? 2.3203 1.5223 1.1857 0.1471 -0.2567 0.1488 497 ASN A O 3355 C CB . ASN A 469 ? 1.8953 1.1087 0.8247 0.1634 -0.2045 0.1474 497 ASN A CB 3356 C CG . ASN A 469 ? 1.8628 1.1394 0.8473 0.1658 -0.2244 0.1560 497 ASN A CG 3357 O OD1 . ASN A 469 ? 1.7339 1.0501 0.7548 0.1540 -0.2351 0.1510 497 ASN A OD1 3358 N ND2 . ASN A 469 ? 1.9578 1.2431 0.9491 0.1821 -0.2278 0.1697 497 ASN A ND2 3359 N N . GLN A 470 ? 1.7875 1.0562 0.7259 0.1260 -0.2656 0.1377 498 GLN A N 3360 C CA . GLN A 470 ? 1.8995 1.1886 0.8295 0.1172 -0.2988 0.1418 498 GLN A CA 3361 C C . GLN A 470 ? 1.9885 1.2195 0.8545 0.1104 -0.2992 0.1345 498 GLN A C 3362 O O . GLN A 470 ? 1.8574 1.0514 0.7040 0.1031 -0.2797 0.1218 498 GLN A O 3363 C CB . GLN A 470 ? 1.8044 1.1462 0.7826 0.1019 -0.3140 0.1372 498 GLN A CB 3364 C CG . GLN A 470 ? 2.0537 1.4208 1.0281 0.0903 -0.3482 0.1407 498 GLN A CG 3365 C CD . GLN A 470 ? 2.0133 1.4294 1.0349 0.0744 -0.3602 0.1351 498 GLN A CD 3366 O OE1 . GLN A 470 ? 1.8190 1.2578 0.8814 0.0739 -0.3449 0.1308 498 GLN A OE1 3367 N NE2 . GLN A 470 ? 2.2039 1.6357 1.2193 0.0610 -0.3876 0.1352 498 GLN A NE2 3368 N N . SER A 471 ? 1.8198 1.0430 0.6528 0.1136 -0.3214 0.1432 499 SER A N 3369 C CA . SER A 471 ? 1.8985 1.0608 0.6635 0.1105 -0.3218 0.1381 499 SER A CA 3370 C C . SER A 471 ? 1.9438 1.1104 0.7000 0.0903 -0.3441 0.1300 499 SER A C 3371 O O . SER A 471 ? 2.0070 1.2155 0.7798 0.0837 -0.3757 0.1370 499 SER A O 3372 C CB . SER A 471 ? 2.0603 1.2103 0.7916 0.1241 -0.3350 0.1520 499 SER A CB 3373 O OG . SER A 471 ? 2.1906 1.2725 0.8525 0.1258 -0.3265 0.1472 499 SER A OG 3374 N N . LEU A 472 ? 2.0758 1.1981 0.8053 0.0807 -0.3272 0.1158 500 LEU A N 3375 C CA . LEU A 472 ? 2.0937 1.2172 0.8202 0.0606 -0.3428 0.1064 500 LEU A CA 3376 C C . LEU A 472 ? 2.1467 1.1941 0.8084 0.0568 -0.3272 0.0955 500 LEU A C 3377 O O . LEU A 472 ? 2.0984 1.1016 0.7332 0.0691 -0.2980 0.0935 500 LEU A O 3378 C CB . LEU A 472 ? 1.8414 1.0084 0.6281 0.0515 -0.3354 0.1003 500 LEU A CB 3379 C CG . LEU A 472 ? 1.7635 1.0086 0.6191 0.0531 -0.3504 0.1095 500 LEU A CG 3380 C CD1 . LEU A 472 ? 1.6838 0.9567 0.5899 0.0482 -0.3325 0.1023 500 LEU A CD1 3381 C CD2 . LEU A 472 ? 1.9211 1.2061 0.7884 0.0409 -0.3877 0.1145 500 LEU A CD2 3382 N N . PRO A 473 ? 2.0599 1.0890 0.6947 0.0400 -0.3455 0.0887 501 PRO A N 3383 C CA . PRO A 473 ? 2.1362 1.0916 0.7120 0.0360 -0.3282 0.0777 501 PRO A CA 3384 C C . PRO A 473 ? 2.0267 0.9709 0.6238 0.0360 -0.2951 0.0685 501 PRO A C 3385 O O . PRO A 473 ? 1.9456 0.9407 0.6033 0.0366 -0.2883 0.0696 501 PRO A O 3386 C CB . PRO A 473 ? 2.2459 1.1966 0.8009 0.0159 -0.3588 0.0734 501 PRO A CB 3387 C CG . PRO A 473 ? 2.3316 1.3461 0.9212 0.0125 -0.3935 0.0842 501 PRO A CG 3388 C CD . PRO A 473 ? 2.1144 1.1874 0.7690 0.0246 -0.3828 0.0917 501 PRO A CD 3389 N N . SER A 474 ? 2.1477 1.0271 0.6963 0.0355 -0.2746 0.0598 502 SER A N 3390 C CA . SER A 474 ? 2.0619 0.9314 0.6304 0.0365 -0.2426 0.0523 502 SER A CA 3391 C C . SER A 474 ? 2.1081 0.9165 0.6268 0.0280 -0.2349 0.0430 502 SER A C 3392 O O . SER A 474 ? 2.2030 0.9708 0.6669 0.0225 -0.2520 0.0421 502 SER A O 3393 C CB . SER A 474 ? 2.0246 0.8796 0.5951 0.0557 -0.2088 0.0549 502 SER A CB 3394 O OG . SER A 474 ? 2.0529 0.8403 0.5572 0.0654 -0.1948 0.0542 502 SER A OG 3395 N N . ILE A 475 ? 2.0071 0.8075 0.5435 0.0279 -0.2079 0.0368 503 ILE A N 3396 C CA . ILE A 475 ? 2.1326 0.8754 0.6267 0.0220 -0.1954 0.0289 503 ILE A CA 3397 C C . ILE A 475 ? 2.1142 0.8292 0.6077 0.0366 -0.1528 0.0265 503 ILE A C 3398 O O . ILE A 475 ? 1.9821 0.7396 0.5290 0.0427 -0.1365 0.0282 503 ILE A O 3399 C CB . ILE A 475 ? 2.1114 0.8807 0.6342 0.0028 -0.2111 0.0242 503 ILE A CB 3400 C CG1 . ILE A 475 ? 2.1822 0.9830 0.7091 -0.0123 -0.2534 0.0271 503 ILE A CG1 3401 C CG2 . ILE A 475 ? 2.1208 0.8269 0.5983 -0.0020 -0.1959 0.0171 503 ILE A CG2 3402 C CD1 . ILE A 475 ? 2.1974 1.0141 0.7417 -0.0326 -0.2701 0.0225 503 ILE A CD1 3403 N N . CYS A 476 ? 2.1275 0.7717 0.5612 0.0420 -0.1346 0.0228 504 CYS A N 3404 C CA . CYS A 476 ? 2.1129 0.7279 0.5432 0.0564 -0.0933 0.0212 504 CYS A CA 3405 C C . CYS A 476 ? 2.2286 0.8036 0.6369 0.0505 -0.0807 0.0151 504 CYS A C 3406 O O . CYS A 476 ? 2.3451 0.9032 0.7286 0.0357 -0.1035 0.0121 504 CYS A O 3407 C CB . CYS A 476 ? 2.1739 0.7379 0.5528 0.0735 -0.0755 0.0242 504 CYS A CB 3408 S SG . CYS A 476 ? 2.2887 0.8796 0.6696 0.0812 -0.0939 0.0327 504 CYS A SG 3409 N N . LYS A 477 ? 2.1493 0.7118 0.5696 0.0618 -0.0439 0.0141 505 LYS A N 3410 C CA . LYS A 477 ? 2.3251 0.8513 0.7287 0.0594 -0.0273 0.0098 505 LYS A CA 3411 C C . LYS A 477 ? 2.3675 0.8545 0.7545 0.0787 0.0152 0.0107 505 LYS A C 3412 O O . LYS A 477 ? 2.3135 0.8285 0.7339 0.0906 0.0349 0.0139 505 LYS A O 3413 C CB . LYS A 477 ? 2.2610 0.8425 0.7267 0.0478 -0.0316 0.0080 505 LYS A CB 3414 C CG . LYS A 477 ? 2.1415 0.7047 0.6154 0.0540 0.0011 0.0062 505 LYS A CG 3415 C CD . LYS A 477 ? 2.2445 0.8430 0.7572 0.0390 -0.0098 0.0039 505 LYS A CD 3416 C CE . LYS A 477 ? 2.0805 0.7510 0.6705 0.0409 0.0001 0.0052 505 LYS A CE 3417 N NZ . LYS A 477 ? 1.9906 0.6563 0.5996 0.0544 0.0385 0.0058 505 LYS A NZ 3418 N N . LYS A 478 ? 2.2231 0.6450 0.5581 0.0816 0.0294 0.0086 506 LYS A N 3419 C CA . LYS A 478 ? 2.2392 0.6276 0.5656 0.0992 0.0715 0.0098 506 LYS A CA 3420 C C . LYS A 478 ? 2.3027 0.6302 0.5818 0.0971 0.0791 0.0075 506 LYS A C 3421 O O . LYS A 478 ? 2.3442 0.6488 0.5890 0.0820 0.0515 0.0048 506 LYS A O 3422 C CB . LYS A 478 ? 2.3560 0.7093 0.6468 0.1169 0.0905 0.0131 506 LYS A CB 3423 C CG . LYS A 478 ? 2.5696 0.8536 0.7780 0.1169 0.0761 0.0123 506 LYS A CG 3424 C CD . LYS A 478 ? 2.5963 0.8491 0.7735 0.1357 0.0976 0.0162 506 LYS A CD 3425 C CE . LYS A 478 ? 2.5498 0.7376 0.6454 0.1356 0.0806 0.0158 506 LYS A CE 3426 N NZ . LYS A 478 ? 2.5910 0.7536 0.6591 0.1536 0.1001 0.0202 506 LYS A NZ 3427 N N . GLU B 12 ? 1.2614 1.1026 1.7161 -0.1001 -0.3884 0.0617 40 GLU B N 3428 C CA . GLU B 12 ? 1.0437 0.9086 1.4575 -0.1083 -0.3581 0.0637 40 GLU B CA 3429 C C . GLU B 12 ? 0.9051 0.7465 1.2452 -0.1256 -0.3569 0.0864 40 GLU B C 3430 O O . GLU B 12 ? 0.8661 0.6999 1.2037 -0.1299 -0.3649 0.0903 40 GLU B O 3431 C CB . GLU B 12 ? 0.8818 0.7938 1.3255 -0.0947 -0.3211 0.0421 40 GLU B CB 3432 C CG . GLU B 12 ? 0.6660 0.6025 1.0630 -0.0933 -0.2806 0.0432 40 GLU B CG 3433 C CD . GLU B 12 ? 0.6074 0.5804 1.0209 -0.0853 -0.2504 0.0279 40 GLU B CD 3434 O OE1 . GLU B 12 ? 0.5858 0.5707 1.0546 -0.0799 -0.2566 0.0119 40 GLU B OE1 3435 O OE2 . GLU B 12 ? 0.5522 0.5410 0.9259 -0.0860 -0.2215 0.0315 40 GLU B OE2 3436 N N . PRO B 13 ? 0.9384 0.7683 1.2206 -0.1369 -0.3460 0.0994 41 PRO B N 3437 C CA . PRO B 13 ? 0.9203 0.7236 1.1320 -0.1585 -0.3442 0.1177 41 PRO B CA 3438 C C . PRO B 13 ? 0.7560 0.5882 0.9463 -0.1553 -0.3054 0.1115 41 PRO B C 3439 O O . PRO B 13 ? 0.6425 0.5148 0.8614 -0.1382 -0.2779 0.0965 41 PRO B O 3440 C CB . PRO B 13 ? 0.8687 0.6559 1.0382 -0.1716 -0.3427 0.1285 41 PRO B CB 3441 C CG . PRO B 13 ? 0.7794 0.6075 0.9870 -0.1504 -0.3181 0.1122 41 PRO B CG 3442 C CD . PRO B 13 ? 0.8077 0.6528 1.0883 -0.1310 -0.3296 0.0947 41 PRO B CD 3443 N N . ASN B 14 ? 0.9097 0.7178 1.0476 -0.1743 -0.3048 0.1228 42 ASN B N 3444 C CA . ASN B 14 ? 0.7730 0.5990 0.8834 -0.1761 -0.2710 0.1180 42 ASN B CA 3445 C C . ASN B 14 ? 0.6460 0.4912 0.7912 -0.1615 -0.2673 0.1085 42 ASN B C 3446 O O . ASN B 14 ? 0.6025 0.4647 0.7335 -0.1594 -0.2404 0.1027 42 ASN B O 3447 C CB . ASN B 14 ? 0.6294 0.4902 0.7381 -0.1677 -0.2349 0.1092 42 ASN B CB 3448 C CG . ASN B 14 ? 0.6562 0.5022 0.7303 -0.1831 -0.2338 0.1176 42 ASN B CG 3449 O OD1 . ASN B 14 ? 0.7341 0.5436 0.7619 -0.2080 -0.2458 0.1295 42 ASN B OD1 3450 N ND2 . ASN B 14 ? 0.6446 0.5178 0.7392 -0.1705 -0.2190 0.1112 42 ASN B ND2 3451 N N . ILE B 15 ? 0.6034 0.4484 0.7990 -0.1511 -0.2926 0.1048 43 ILE B N 3452 C CA . ILE B 15 ? 0.5716 0.4394 0.8095 -0.1372 -0.2886 0.0937 43 ILE B CA 3453 C C . ILE B 15 ? 0.6104 0.4456 0.8344 -0.1491 -0.3150 0.1042 43 ILE B C 3454 O O . ILE B 15 ? 0.6724 0.4702 0.8910 -0.1615 -0.3517 0.1162 43 ILE B O 3455 C CB . ILE B 15 ? 0.5618 0.4543 0.8730 -0.1200 -0.2964 0.0781 43 ILE B CB 3456 C CG1 . ILE B 15 ? 0.5243 0.4445 0.8377 -0.1117 -0.2691 0.0686 43 ILE B CG1 3457 C CG2 . ILE B 15 ? 0.5353 0.4510 0.8946 -0.1092 -0.2934 0.0653 43 ILE B CG2 3458 C CD1 . ILE B 15 ? 0.4938 0.4545 0.8566 -0.0963 -0.2479 0.0476 43 ILE B CD1 3459 N N . PHE B 16 ? 0.6141 0.4613 0.8316 -0.1460 -0.2982 0.1001 44 PHE B N 3460 C CA . PHE B 16 ? 0.6576 0.4723 0.8522 -0.1590 -0.3198 0.1103 44 PHE B CA 3461 C C . PHE B 16 ? 0.6080 0.4501 0.8381 -0.1445 -0.3082 0.0995 44 PHE B C 3462 O O . PHE B 16 ? 0.5482 0.4303 0.7997 -0.1292 -0.2767 0.0860 44 PHE B O 3463 C CB . PHE B 16 ? 0.6740 0.4568 0.7886 -0.1828 -0.3095 0.1208 44 PHE B CB 3464 C CG . PHE B 16 ? 0.6212 0.4316 0.7148 -0.1779 -0.2655 0.1104 44 PHE B CG 3465 C CD1 . PHE B 16 ? 0.6004 0.4309 0.6919 -0.1739 -0.2442 0.1059 44 PHE B CD1 3466 C CD2 . PHE B 16 ? 0.6139 0.4293 0.6928 -0.1771 -0.2470 0.1047 44 PHE B CD2 3467 C CE1 . PHE B 16 ? 0.5746 0.4280 0.6521 -0.1703 -0.2081 0.0965 44 PHE B CE1 3468 C CE2 . PHE B 16 ? 0.5880 0.4258 0.6531 -0.1730 -0.2101 0.0942 44 PHE B CE2 3469 C CZ . PHE B 16 ? 0.5689 0.4252 0.6347 -0.1699 -0.1919 0.0904 44 PHE B CZ 3470 N N . LEU B 17 ? 0.6461 0.4644 0.8816 -0.1511 -0.3360 0.1065 45 LEU B N 3471 C CA . LEU B 17 ? 0.6259 0.4623 0.8846 -0.1416 -0.3280 0.0994 45 LEU B CA 3472 C C . LEU B 17 ? 0.6129 0.4262 0.8024 -0.1559 -0.3135 0.1061 45 LEU B C 3473 O O . LEU B 17 ? 0.6612 0.4312 0.7901 -0.1793 -0.3259 0.1189 45 LEU B O 3474 C CB . LEU B 17 ? 0.7541 0.5785 1.0651 -0.1405 -0.3682 0.1019 45 LEU B CB 3475 C CG . LEU B 17 ? 0.7810 0.6424 1.1832 -0.1219 -0.3731 0.0851 45 LEU B CG 3476 C CD1 . LEU B 17 ? 0.7607 0.6197 1.1744 -0.1190 -0.3775 0.0831 45 LEU B CD1 3477 C CD2 . LEU B 17 ? 0.9361 0.7850 1.3751 -0.1116 -0.3949 0.0865 45 LEU B CD2 3478 N N . ILE B 18 ? 0.6189 0.4602 0.8173 -0.1437 -0.2860 0.0955 46 ILE B N 3479 C CA . ILE B 18 ? 0.6117 0.4371 0.7526 -0.1541 -0.2657 0.0959 46 ILE B CA 3480 C C . ILE B 18 ? 0.6658 0.4790 0.8138 -0.1551 -0.2821 0.0985 46 ILE B C 3481 O O . ILE B 18 ? 0.7137 0.5611 0.9139 -0.1360 -0.2754 0.0893 46 ILE B O 3482 C CB . ILE B 18 ? 0.5526 0.4152 0.6960 -0.1400 -0.2232 0.0818 46 ILE B CB 3483 C CG1 . ILE B 18 ? 0.5481 0.4163 0.6772 -0.1430 -0.2100 0.0812 46 ILE B CG1 3484 C CG2 . ILE B 18 ? 0.5640 0.4122 0.6620 -0.1481 -0.2033 0.0780 46 ILE B CG2 3485 C CD1 . ILE B 18 ? 0.5025 0.4112 0.6531 -0.1262 -0.1775 0.0685 46 ILE B CD1 3486 N N . PHE B 19 ? 0.6624 0.4259 0.7558 -0.1795 -0.3030 0.1108 47 PHE B N 3487 C CA . PHE B 19 ? 0.7068 0.4495 0.8034 -0.1845 -0.3281 0.1169 47 PHE B CA 3488 C C . PHE B 19 ? 0.7079 0.4273 0.7393 -0.1993 -0.3072 0.1142 47 PHE B C 3489 O O . PHE B 19 ? 0.8034 0.4871 0.7668 -0.2246 -0.3006 0.1175 47 PHE B O 3490 C CB . PHE B 19 ? 0.8915 0.5875 0.9799 -0.2044 -0.3790 0.1348 47 PHE B CB 3491 C CG . PHE B 19 ? 1.0764 0.7478 1.1655 -0.2100 -0.4084 0.1432 47 PHE B CG 3492 C CD1 . PHE B 19 ? 1.1619 0.8627 1.3309 -0.1871 -0.4246 0.1393 47 PHE B CD1 3493 C CD2 . PHE B 19 ? 1.2539 0.8796 1.2613 -0.2328 -0.4128 0.1534 47 PHE B CD2 3494 C CE1 . PHE B 19 ? 1.3104 0.9930 1.4801 -0.1865 -0.4471 0.1478 47 PHE B CE1 3495 C CE2 . PHE B 19 ? 1.3848 0.9923 1.3883 -0.2334 -0.4365 0.1619 47 PHE B CE2 3496 C CZ . PHE B 19 ? 1.4248 1.0599 1.5110 -0.2099 -0.4552 0.1603 47 PHE B CZ 3497 N N . SER B 20 ? 0.8147 0.5543 0.8683 -0.1851 -0.2956 0.1062 48 SER B N 3498 C CA . SER B 20 ? 0.8928 0.6103 0.8907 -0.1975 -0.2766 0.1010 48 SER B CA 3499 C C . SER B 20 ? 1.1684 0.8418 1.1411 -0.2163 -0.3124 0.1138 48 SER B C 3500 O O . SER B 20 ? 1.2090 0.8956 1.2369 -0.2030 -0.3382 0.1185 48 SER B O 3501 C CB . SER B 20 ? 0.7076 0.4709 0.7400 -0.1712 -0.2414 0.0845 48 SER B CB 3502 O OG . SER B 20 ? 0.6682 0.4082 0.6581 -0.1812 -0.2312 0.0798 48 SER B OG 3503 N N . HIS B 21 ? 1.0022 0.6225 0.8923 -0.2495 -0.3135 0.1178 49 HIS B N 3504 C CA . HIS B 21 ? 1.1500 0.7287 1.0016 -0.2671 -0.3414 0.1289 49 HIS B CA 3505 C C . HIS B 21 ? 1.0117 0.6063 0.8907 -0.2534 -0.3332 0.1202 49 HIS B C 3506 O O . HIS B 21 ? 1.0614 0.6556 0.9742 -0.2459 -0.3644 0.1297 49 HIS B O 3507 C CB . HIS B 21 ? 1.2791 0.8167 1.0330 -0.2966 -0.3265 0.1285 49 HIS B CB 3508 C CG . HIS B 21 ? 1.4915 1.0054 1.2097 -0.3125 -0.3479 0.1434 49 HIS B CG 3509 N ND1 . HIS B 21 ? 1.5520 1.0437 1.1982 -0.3368 -0.3265 0.1389 49 HIS B ND1 3510 C CD2 . HIS B 21 ? 1.6439 1.1537 1.3909 -0.3073 -0.3881 0.1615 49 HIS B CD2 3511 C CE1 . HIS B 21 ? 1.6489 1.1233 1.2777 -0.3467 -0.3533 0.1551 49 HIS B CE1 3512 N NE2 . HIS B 21 ? 1.7307 1.2142 1.4190 -0.3288 -0.3914 0.1692 49 HIS B NE2 3513 N N . GLY B 22 ? 1.0868 0.7052 0.9543 -0.2427 -0.2865 0.1009 50 GLY B N 3514 C CA . GLY B 22 ? 1.0215 0.6556 0.9023 -0.2282 -0.2717 0.0911 50 GLY B CA 3515 C C . GLY B 22 ? 0.9960 0.6871 0.9698 -0.1915 -0.2760 0.0897 50 GLY B C 3516 O O . GLY B 22 ? 1.0992 0.7960 1.0944 -0.1832 -0.2846 0.0899 50 GLY B O 3517 N N . LEU B 23 ? 1.0876 0.8217 1.1173 -0.1711 -0.2685 0.0868 51 LEU B N 3518 C CA . LEU B 23 ? 0.9228 0.7123 1.0417 -0.1406 -0.2689 0.0821 51 LEU B CA 3519 C C . LEU B 23 ? 0.9830 0.7693 1.1550 -0.1416 -0.3150 0.0949 51 LEU B C 3520 O O . LEU B 23 ? 0.9439 0.7729 1.1951 -0.1207 -0.3190 0.0891 51 LEU B O 3521 C CB . LEU B 23 ? 0.7266 0.5624 0.8771 -0.1210 -0.2357 0.0699 51 LEU B CB 3522 C CG . LEU B 23 ? 0.6154 0.4556 0.7249 -0.1184 -0.1929 0.0560 51 LEU B CG 3523 C CD1 . LEU B 23 ? 0.5088 0.3842 0.6404 -0.1048 -0.1669 0.0473 51 LEU B CD1 3524 C CD2 . LEU B 23 ? 0.5453 0.4066 0.6736 -0.1025 -0.1763 0.0465 51 LEU B CD2 3525 N N . GLN B 24 ? 0.7935 0.5300 0.9263 -0.1669 -0.3496 0.1104 52 GLN B N 3526 C CA . GLN B 24 ? 0.9935 0.7187 1.1750 -0.1706 -0.3983 0.1228 52 GLN B CA 3527 C C . GLN B 24 ? 0.9079 0.6892 1.1794 -0.1452 -0.3912 0.1117 52 GLN B C 3528 O O . GLN B 24 ? 0.9332 0.7464 1.2820 -0.1272 -0.4007 0.1060 52 GLN B O 3529 C CB . GLN B 24 ? 1.1562 0.8659 1.3545 -0.1702 -0.4286 0.1316 52 GLN B CB 3530 C CG . GLN B 24 ? 1.2692 0.9149 1.3740 -0.1967 -0.4483 0.1489 52 GLN B CG 3531 C CD . GLN B 24 ? 1.4740 1.0837 1.5447 -0.2099 -0.4767 0.1665 52 GLN B CD 3532 O OE1 . GLN B 24 ? 1.5808 1.1990 1.7106 -0.1956 -0.5023 0.1734 52 GLN B OE1 3533 N NE2 . GLN B 24 ? 1.5197 1.0893 1.4960 -0.2368 -0.4689 0.1721 52 GLN B NE2 3534 N N . GLY B 25 ? 0.8579 0.6500 1.1143 -0.1435 -0.3695 0.1074 53 GLY B N 3535 C CA . GLY B 25 ? 0.6631 0.5048 0.9943 -0.1231 -0.3590 0.0953 53 GLY B CA 3536 C C . GLY B 25 ? 0.6306 0.4755 0.9296 -0.1250 -0.3363 0.0930 53 GLY B C 3537 O O . GLY B 25 ? 0.6617 0.4765 0.8853 -0.1404 -0.3238 0.0987 53 GLY B O 3538 N N . CYS B 26 ? 0.6219 0.5048 0.9823 -0.1105 -0.3300 0.0825 54 CYS B N 3539 C CA . CYS B 26 ? 0.5365 0.4264 0.8791 -0.1105 -0.3124 0.0799 54 CYS B CA 3540 C C . CYS B 26 ? 0.4720 0.4121 0.8374 -0.0925 -0.2695 0.0633 54 CYS B C 3541 O O . CYS B 26 ? 0.4695 0.4463 0.8912 -0.0787 -0.2605 0.0515 54 CYS B O 3542 C CB . CYS B 26 ? 0.6000 0.4861 0.9888 -0.1118 -0.3423 0.0811 54 CYS B CB 3543 S SG . CYS B 26 ? 1.0348 0.8543 1.3871 -0.1346 -0.3949 0.1037 54 CYS B SG 3544 N N . LEU B 27 ? 0.4706 0.4107 0.7914 -0.0947 -0.2441 0.0625 55 LEU B N 3545 C CA . LEU B 27 ? 0.4273 0.4078 0.7614 -0.0808 -0.2071 0.0492 55 LEU B CA 3546 C C . LEU B 27 ? 0.3986 0.4118 0.7936 -0.0721 -0.2071 0.0387 55 LEU B C 3547 O O . LEU B 27 ? 0.4137 0.4148 0.8146 -0.0776 -0.2240 0.0421 55 LEU B O 3548 C CB . LEU B 27 ? 0.4372 0.4050 0.7109 -0.0874 -0.1843 0.0512 55 LEU B CB 3549 C CG . LEU B 27 ? 0.4005 0.4006 0.6769 -0.0756 -0.1488 0.0397 55 LEU B CG 3550 C CD1 . LEU B 27 ? 0.3851 0.3954 0.6648 -0.0676 -0.1353 0.0340 55 LEU B CD1 3551 C CD2 . LEU B 27 ? 0.4116 0.3979 0.6391 -0.0833 -0.1318 0.0409 55 LEU B CD2 3552 N N . GLU B 28 ? 0.3590 0.4126 0.7971 -0.0604 -0.1866 0.0246 56 GLU B N 3553 C CA . GLU B 28 ? 0.3450 0.4308 0.8462 -0.0557 -0.1844 0.0099 56 GLU B CA 3554 C C . GLU B 28 ? 0.3009 0.4202 0.8015 -0.0500 -0.1486 -0.0018 56 GLU B C 3555 O O . GLU B 28 ? 0.2895 0.4163 0.7680 -0.0454 -0.1295 -0.0017 56 GLU B O 3556 C CB . GLU B 28 ? 0.3552 0.4551 0.9263 -0.0529 -0.2034 0.0019 56 GLU B CB 3557 C CG . GLU B 28 ? 0.3585 0.4795 0.9715 -0.0457 -0.1877 -0.0179 56 GLU B CG 3558 C CD . GLU B 28 ? 0.5337 0.6605 1.1741 -0.0376 -0.1819 -0.0274 56 GLU B CD 3559 O OE1 . GLU B 28 ? 0.5380 0.6710 1.1672 -0.0347 -0.1754 -0.0229 56 GLU B OE1 3560 O OE2 . GLU B 28 ? 0.7433 0.8678 1.4169 -0.0345 -0.1832 -0.0401 56 GLU B OE2 3561 N N . ALA B 29 ? 0.3399 0.4764 0.8626 -0.0516 -0.1407 -0.0121 57 ALA B N 3562 C CA . ALA B 29 ? 0.2998 0.4652 0.8227 -0.0505 -0.1103 -0.0235 57 ALA B CA 3563 C C . ALA B 29 ? 0.2996 0.4935 0.8850 -0.0523 -0.1053 -0.0440 57 ALA B C 3564 O O . ALA B 29 ? 0.3357 0.5224 0.9360 -0.0546 -0.1132 -0.0507 57 ALA B O 3565 C CB . ALA B 29 ? 0.2974 0.4523 0.7753 -0.0540 -0.1007 -0.0182 57 ALA B CB 3566 N N . GLN B 30 ? 0.2750 0.4845 0.8644 -0.0482 -0.0862 -0.0527 58 GLN B N 3567 C CA . GLN B 30 ? 0.4562 0.6724 1.0691 -0.0478 -0.0765 -0.0699 58 GLN B CA 3568 C C . GLN B 30 ? 0.3639 0.5999 0.9631 -0.0487 -0.0491 -0.0775 58 GLN B C 3569 O O . GLN B 30 ? 0.4668 0.7064 1.0486 -0.0439 -0.0440 -0.0689 58 GLN B O 3570 C CB . GLN B 30 ? 0.7531 0.9525 1.3922 -0.0414 -0.0977 -0.0687 58 GLN B CB 3571 C CG . GLN B 30 ? 1.0073 1.2079 1.6786 -0.0411 -0.0922 -0.0874 58 GLN B CG 3572 C CD . GLN B 30 ? 1.1924 1.3844 1.8825 -0.0445 -0.0999 -0.0965 58 GLN B CD 3573 O OE1 . GLN B 30 ? 1.2107 1.4137 1.8879 -0.0512 -0.0849 -0.1030 58 GLN B OE1 3574 N NE2 . GLN B 30 ? 1.3196 1.4897 2.0398 -0.0399 -0.1241 -0.0969 58 GLN B NE2 3575 N N . GLY B 31 ? 0.6092 0.8547 1.2147 -0.0556 -0.0327 -0.0938 59 GLY B N 3576 C CA . GLY B 31 ? 0.4917 0.7509 1.0838 -0.0593 -0.0102 -0.1014 59 GLY B CA 3577 C C . GLY B 31 ? 0.4733 0.7411 1.0304 -0.0603 0.0027 -0.0913 59 GLY B C 3578 O O . GLY B 31 ? 0.4708 0.7443 1.0154 -0.0575 0.0132 -0.0902 59 GLY B O 3579 N N . GLY B 32 ? 0.5090 0.7759 1.0510 -0.0638 0.0010 -0.0838 60 GLY B N 3580 C CA . GLY B 32 ? 0.3494 0.6211 0.8625 -0.0647 0.0117 -0.0751 60 GLY B CA 3581 C C . GLY B 32 ? 0.3412 0.6072 0.8492 -0.0522 0.0043 -0.0624 60 GLY B C 3582 O O . GLY B 32 ? 0.3937 0.6628 0.8809 -0.0497 0.0156 -0.0582 60 GLY B O 3583 N N . GLN B 33 ? 0.2423 0.4971 0.7678 -0.0454 -0.0156 -0.0564 61 GLN B N 3584 C CA . GLN B 33 ? 0.2249 0.4713 0.7457 -0.0361 -0.0241 -0.0453 61 GLN B CA 3585 C C . GLN B 33 ? 0.2695 0.4858 0.7708 -0.0356 -0.0466 -0.0328 61 GLN B C 3586 O O . GLN B 33 ? 0.4132 0.6245 0.9294 -0.0410 -0.0596 -0.0342 61 GLN B O 3587 C CB . GLN B 33 ? 0.3664 0.6117 0.8964 -0.0283 -0.0261 -0.0477 61 GLN B CB 3588 C CG . GLN B 33 ? 0.6019 0.8592 1.1312 -0.0308 -0.0091 -0.0595 61 GLN B CG 3589 C CD . GLN B 33 ? 0.7000 0.9591 1.2171 -0.0228 -0.0009 -0.0580 61 GLN B CD 3590 O OE1 . GLN B 33 ? 0.7920 1.0424 1.3183 -0.0157 -0.0128 -0.0536 61 GLN B OE1 3591 N NE2 . GLN B 33 ? 0.7310 0.9992 1.2254 -0.0250 0.0178 -0.0608 61 GLN B NE2 3592 N N . VAL B 34 ? 0.2565 0.4488 0.7181 -0.0301 -0.0498 -0.0215 62 VAL B N 3593 C CA . VAL B 34 ? 0.2902 0.4471 0.7200 -0.0327 -0.0695 -0.0091 62 VAL B CA 3594 C C . VAL B 34 ? 0.3470 0.4935 0.7778 -0.0287 -0.0787 -0.0052 62 VAL B C 3595 O O . VAL B 34 ? 0.3735 0.5217 0.7864 -0.0227 -0.0635 -0.0065 62 VAL B O 3596 C CB . VAL B 34 ? 0.2842 0.4182 0.6571 -0.0355 -0.0607 -0.0021 62 VAL B CB 3597 C CG1 . VAL B 34 ? 0.3219 0.4182 0.6579 -0.0429 -0.0779 0.0090 62 VAL B CG1 3598 C CG2 . VAL B 34 ? 0.2757 0.4209 0.6486 -0.0395 -0.0523 -0.0054 62 VAL B CG2 3599 N N . ARG B 35 ? 0.2808 0.4159 0.7348 -0.0321 -0.1047 -0.0011 63 ARG B N 3600 C CA . ARG B 35 ? 0.2951 0.4168 0.7485 -0.0304 -0.1172 0.0038 63 ARG B CA 3601 C C . ARG B 35 ? 0.3520 0.4365 0.7923 -0.0410 -0.1509 0.0160 63 ARG B C 3602 O O . ARG B 35 ? 0.4835 0.5558 0.9190 -0.0480 -0.1628 0.0198 63 ARG B O 3603 C CB . ARG B 35 ? 0.2749 0.4329 0.7939 -0.0227 -0.1149 -0.0071 63 ARG B CB 3604 C CG . ARG B 35 ? 0.4562 0.6256 1.0309 -0.0254 -0.1306 -0.0146 63 ARG B CG 3605 C CD . ARG B 35 ? 0.5115 0.7037 1.0983 -0.0188 -0.1026 -0.0307 63 ARG B CD 3606 N NE . ARG B 35 ? 0.7529 0.9430 1.3654 -0.0221 -0.1075 -0.0408 63 ARG B NE 3607 C CZ . ARG B 35 ? 0.8586 1.0659 1.4786 -0.0231 -0.0854 -0.0560 63 ARG B CZ 3608 N NH1 . ARG B 35 ? 0.8065 1.0324 1.4053 -0.0221 -0.0590 -0.0604 63 ARG B NH1 3609 N NH2 . ARG B 35 ? 0.9699 1.1728 1.6167 -0.0264 -0.0910 -0.0667 63 ARG B NH2 3610 N N . VAL B 36 ? 0.3338 0.3986 0.7666 -0.0433 -0.1671 0.0225 64 VAL B N 3611 C CA . VAL B 36 ? 0.3890 0.4153 0.8121 -0.0559 -0.2046 0.0353 64 VAL B CA 3612 C C . VAL B 36 ? 0.4901 0.5354 0.9912 -0.0515 -0.2288 0.0308 64 VAL B C 3613 O O . VAL B 36 ? 0.4721 0.5392 1.0054 -0.0432 -0.2228 0.0247 64 VAL B O 3614 C CB . VAL B 36 ? 0.4123 0.3972 0.7695 -0.0664 -0.2094 0.0456 64 VAL B CB 3615 C CG1 . VAL B 36 ? 0.4948 0.4341 0.8320 -0.0841 -0.2496 0.0606 64 VAL B CG1 3616 C CG2 . VAL B 36 ? 0.4204 0.3924 0.7134 -0.0707 -0.1809 0.0440 64 VAL B CG2 3617 N N . THR B 37 ? 0.3720 0.4108 0.9096 -0.0570 -0.2558 0.0318 65 THR B N 3618 C CA . THR B 37 ? 0.3800 0.4160 0.9630 -0.0488 -0.2669 0.0259 65 THR B CA 3619 C C . THR B 37 ? 0.4801 0.4661 1.0433 -0.0595 -0.3087 0.0437 65 THR B C 3620 O O . THR B 37 ? 0.6178 0.5703 1.1441 -0.0737 -0.3317 0.0571 65 THR B O 3621 C CB . THR B 37 ? 0.4879 0.5362 1.1052 -0.0432 -0.2580 0.0124 65 THR B CB 3622 O OG1 . THR B 37 ? 0.6592 0.6948 1.3162 -0.0373 -0.2706 0.0062 65 THR B OG1 3623 C CG2 . THR B 37 ? 0.4308 0.4576 1.0250 -0.0536 -0.2759 0.0218 65 THR B CG2 3624 N N . PRO B 38 ? 0.4587 0.4347 1.0385 -0.0550 -0.3187 0.0452 66 PRO B N 3625 C CA . PRO B 38 ? 0.5794 0.5024 1.1325 -0.0671 -0.3602 0.0649 66 PRO B CA 3626 C C . PRO B 38 ? 0.6746 0.5678 1.2467 -0.0680 -0.3869 0.0699 66 PRO B C 3627 O O . PRO B 38 ? 0.8953 0.7395 1.4275 -0.0821 -0.4219 0.0901 66 PRO B O 3628 C CB . PRO B 38 ? 0.5755 0.5022 1.1521 -0.0591 -0.3592 0.0621 66 PRO B CB 3629 C CG . PRO B 38 ? 0.5114 0.4904 1.1354 -0.0419 -0.3181 0.0386 66 PRO B CG 3630 C CD . PRO B 38 ? 0.4059 0.4157 1.0152 -0.0416 -0.2910 0.0313 66 PRO B CD 3631 N N . ALA B 39 ? 0.5384 0.4566 1.1644 -0.0551 -0.3711 0.0520 67 ALA B N 3632 C CA . ALA B 39 ? 0.5993 0.4897 1.2487 -0.0544 -0.3958 0.0544 67 ALA B CA 3633 C C . ALA B 39 ? 0.5722 0.4645 1.1951 -0.0608 -0.3922 0.0563 67 ALA B C 3634 O O . ALA B 39 ? 0.5329 0.4613 1.1802 -0.0533 -0.3636 0.0383 67 ALA B O 3635 C CB . ALA B 39 ? 0.6224 0.5337 1.3418 -0.0392 -0.3812 0.0315 67 ALA B CB 3636 N N . CYS B 40 ? 0.6908 0.5402 1.2621 -0.0758 -0.4223 0.0782 68 CYS B N 3637 C CA . CYS B 40 ? 0.7497 0.5942 1.2919 -0.0837 -0.4219 0.0818 68 CYS B CA 3638 C C . CYS B 40 ? 0.9033 0.7358 1.4889 -0.0750 -0.4370 0.0768 68 CYS B C 3639 O O . CYS B 40 ? 1.0916 0.8872 1.6907 -0.0742 -0.4693 0.0872 68 CYS B O 3640 C CB . CYS B 40 ? 0.7883 0.5881 1.2481 -0.1066 -0.4443 0.1060 68 CYS B CB 3641 S SG . CYS B 40 ? 0.8795 0.6892 1.2814 -0.1202 -0.4217 0.1073 68 CYS B SG 3642 N N . ASN B 41 ? 0.7922 0.6553 1.4013 -0.0682 -0.4135 0.0600 69 ASN B N 3643 C CA . ASN B 41 ? 0.8962 0.7518 1.5472 -0.0596 -0.4229 0.0510 69 ASN B CA 3644 C C . ASN B 41 ? 0.8538 0.7160 1.4751 -0.0660 -0.4135 0.0516 69 ASN B C 3645 O O . ASN B 41 ? 0.6137 0.5155 1.2355 -0.0642 -0.3800 0.0376 69 ASN B O 3646 C CB . ASN B 41 ? 0.9423 0.8327 1.6628 -0.0434 -0.3977 0.0224 69 ASN B CB 3647 C CG . ASN B 41 ? 1.1803 1.0583 1.9510 -0.0338 -0.4097 0.0104 69 ASN B CG 3648 O OD1 . ASN B 41 ? 1.3011 1.1498 2.0571 -0.0373 -0.4343 0.0226 69 ASN B OD1 3649 N ND2 . ASN B 41 ? 1.2762 1.1765 2.1057 -0.0220 -0.3909 -0.0150 69 ASN B ND2 3650 N N . THR B 42 ? 0.9157 0.7384 1.5103 -0.0737 -0.4431 0.0684 70 THR B N 3651 C CA . THR B 42 ? 0.8954 0.7200 1.4538 -0.0820 -0.4354 0.0717 70 THR B CA 3652 C C . THR B 42 ? 0.8308 0.6875 1.4382 -0.0689 -0.4131 0.0477 70 THR B C 3653 O O . THR B 42 ? 0.6586 0.5285 1.2427 -0.0738 -0.3980 0.0458 70 THR B O 3654 C CB . THR B 42 ? 1.0593 0.8319 1.5721 -0.0948 -0.4718 0.0962 70 THR B CB 3655 O OG1 . THR B 42 ? 1.1899 0.9451 1.7525 -0.0823 -0.4939 0.0923 70 THR B OG1 3656 C CG2 . THR B 42 ? 1.1741 0.9093 1.6346 -0.1098 -0.4955 0.1193 70 THR B CG2 3657 N N . SER B 43 ? 0.9163 0.7842 1.5885 -0.0538 -0.4095 0.0285 71 SER B N 3658 C CA . SER B 43 ? 0.9150 0.8106 1.6314 -0.0434 -0.3865 0.0028 71 SER B CA 3659 C C . SER B 43 ? 0.6852 0.6299 1.4164 -0.0402 -0.3438 -0.0193 71 SER B C 3660 O O . SER B 43 ? 0.6666 0.6349 1.4280 -0.0345 -0.3209 -0.0423 71 SER B O 3661 C CB . SER B 43 ? 1.1842 1.0627 1.9621 -0.0303 -0.4044 -0.0089 71 SER B CB 3662 O OG . SER B 43 ? 1.2785 1.1443 2.0772 -0.0268 -0.4184 -0.0048 71 SER B OG 3663 N N . LEU B 44 ? 0.8569 0.8158 1.5647 -0.0448 -0.3324 -0.0130 72 LEU B N 3664 C CA . LEU B 44 ? 0.7276 0.7309 1.4473 -0.0422 -0.2926 -0.0327 72 LEU B CA 3665 C C . LEU B 44 ? 0.5298 0.5526 1.2063 -0.0505 -0.2738 -0.0272 72 LEU B C 3666 O O . LEU B 44 ? 0.5007 0.5103 1.1329 -0.0592 -0.2852 -0.0067 72 LEU B O 3667 C CB . LEU B 44 ? 0.6846 0.6970 1.4111 -0.0398 -0.2865 -0.0326 72 LEU B CB 3668 C CG . LEU B 44 ? 0.7479 0.7646 1.5298 -0.0300 -0.2816 -0.0524 72 LEU B CG 3669 C CD1 . LEU B 44 ? 0.6597 0.6819 1.4439 -0.0282 -0.2780 -0.0496 72 LEU B CD1 3670 C CD2 . LEU B 44 ? 0.6882 0.7370 1.4939 -0.0278 -0.2470 -0.0800 72 LEU B CD2 3671 N N . PRO B 45 ? 0.6413 0.6927 1.3272 -0.0497 -0.2453 -0.0452 73 PRO B N 3672 C CA . PRO B 45 ? 0.4867 0.5544 1.1342 -0.0574 -0.2292 -0.0390 73 PRO B CA 3673 C C . PRO B 45 ? 0.3691 0.4543 0.9914 -0.0608 -0.2146 -0.0314 73 PRO B C 3674 O O . PRO B 45 ? 0.3700 0.4551 0.9537 -0.0679 -0.2119 -0.0183 73 PRO B O 3675 C CB . PRO B 45 ? 0.4497 0.5423 1.1171 -0.0560 -0.2015 -0.0625 73 PRO B CB 3676 C CG . PRO B 45 ? 0.5888 0.6692 1.3022 -0.0482 -0.2106 -0.0786 73 PRO B CG 3677 C CD . PRO B 45 ? 0.5978 0.6629 1.3274 -0.0434 -0.2285 -0.0717 73 PRO B CD 3678 N N . ALA B 46 ? 0.4800 0.5778 1.1210 -0.0556 -0.2044 -0.0389 74 ALA B N 3679 C CA . ALA B 46 ? 0.3239 0.4390 0.9432 -0.0572 -0.1889 -0.0330 74 ALA B CA 3680 C C . ALA B 46 ? 0.3391 0.4300 0.9233 -0.0635 -0.2121 -0.0098 74 ALA B C 3681 O O . ALA B 46 ? 0.3348 0.4273 0.8711 -0.0619 -0.1913 -0.0027 74 ALA B O 3682 C CB . ALA B 46 ? 0.3183 0.4495 0.9633 -0.0503 -0.1736 -0.0461 74 ALA B CB 3683 N N . GLN B 47 ? 0.3733 0.4279 0.9507 -0.0671 -0.2448 0.0026 75 GLN B N 3684 C CA . GLN B 47 ? 0.4066 0.4232 0.9256 -0.0761 -0.2633 0.0251 75 GLN B CA 3685 C C . GLN B 47 ? 0.4324 0.4222 0.8966 -0.0841 -0.2660 0.0374 75 GLN B C 3686 O O . GLN B 47 ? 0.4672 0.4209 0.8736 -0.0951 -0.2774 0.0546 75 GLN B O 3687 C CB . GLN B 47 ? 0.4595 0.4470 0.9983 -0.0786 -0.2997 0.0331 75 GLN B CB 3688 C CG . GLN B 47 ? 0.4765 0.4853 1.0651 -0.0643 -0.2883 0.0181 75 GLN B CG 3689 C CD . GLN B 47 ? 0.5944 0.5707 1.1895 -0.0640 -0.3175 0.0282 75 GLN B CD 3690 O OE1 . GLN B 47 ? 0.7197 0.6542 1.2790 -0.0751 -0.3486 0.0477 75 GLN B OE1 3691 N NE2 . GLN B 47 ? 0.4688 0.4620 1.1055 -0.0529 -0.3065 0.0151 75 GLN B NE2 3692 N N . ARG B 48 ? 0.4177 0.4238 0.8976 -0.0807 -0.2546 0.0278 76 ARG B N 3693 C CA . ARG B 48 ? 0.4402 0.4231 0.8797 -0.0876 -0.2604 0.0382 76 ARG B CA 3694 C C . ARG B 48 ? 0.4288 0.4223 0.8153 -0.0875 -0.2263 0.0403 76 ARG B C 3695 O O . ARG B 48 ? 0.3976 0.4236 0.8003 -0.0798 -0.1999 0.0272 76 ARG B O 3696 C CB . ARG B 48 ? 0.4334 0.4244 0.9255 -0.0841 -0.2723 0.0260 76 ARG B CB 3697 C CG . ARG B 48 ? 0.4933 0.4622 1.0293 -0.0834 -0.3087 0.0262 76 ARG B CG 3698 C CD . ARG B 48 ? 0.6363 0.6084 1.2158 -0.0729 -0.3090 0.0104 76 ARG B CD 3699 N NE . ARG B 48 ? 0.6679 0.6247 1.2244 -0.0784 -0.3175 0.0173 76 ARG B NE 3700 C CZ . ARG B 48 ? 0.7208 0.6360 1.2456 -0.0867 -0.3478 0.0370 76 ARG B CZ 3701 N NH1 . ARG B 48 ? 0.7754 0.6581 1.2846 -0.0916 -0.3737 0.0525 76 ARG B NH1 3702 N NH2 . ARG B 48 ? 0.6510 0.5559 1.1562 -0.0913 -0.3515 0.0416 76 ARG B NH2 3703 N N . TRP B 49 ? 0.4566 0.4209 0.7812 -0.0986 -0.2277 0.0557 77 TRP B N 3704 C CA . TRP B 49 ? 0.4477 0.4194 0.7275 -0.1002 -0.1978 0.0566 77 TRP B CA 3705 C C . TRP B 49 ? 0.4655 0.4204 0.7114 -0.1095 -0.1994 0.0646 77 TRP B C 3706 O O . TRP B 49 ? 0.5010 0.4292 0.7416 -0.1183 -0.2252 0.0737 77 TRP B O 3707 C CB . TRP B 49 ? 0.4598 0.4170 0.6996 -0.1066 -0.1894 0.0619 77 TRP B CB 3708 C CG . TRP B 49 ? 0.4391 0.4154 0.7117 -0.0962 -0.1853 0.0540 77 TRP B CG 3709 C CD1 . TRP B 49 ? 0.4485 0.4164 0.7486 -0.0959 -0.2085 0.0557 77 TRP B CD1 3710 C CD2 . TRP B 49 ? 0.4060 0.4130 0.6891 -0.0856 -0.1576 0.0434 77 TRP B CD2 3711 N NE1 . TRP B 49 ? 0.4206 0.4148 0.7484 -0.0853 -0.1942 0.0461 77 TRP B NE1 3712 C CE2 . TRP B 49 ? 0.3953 0.4129 0.7114 -0.0792 -0.1630 0.0387 77 TRP B CE2 3713 C CE3 . TRP B 49 ? 0.3864 0.4110 0.6551 -0.0819 -0.1309 0.0380 77 TRP B CE3 3714 C CZ2 . TRP B 49 ? 0.3652 0.4113 0.6978 -0.0695 -0.1406 0.0287 77 TRP B CZ2 3715 C CZ3 . TRP B 49 ? 0.3601 0.4092 0.6437 -0.0729 -0.1119 0.0291 77 TRP B CZ3 3716 C CH2 . TRP B 49 ? 0.3497 0.4096 0.6636 -0.0670 -0.1159 0.0246 77 TRP B CH2 3717 N N . LYS B 50 ? 0.4487 0.4192 0.6739 -0.1081 -0.1728 0.0613 78 LYS B N 3718 C CA . LYS B 50 ? 0.4617 0.4203 0.6548 -0.1175 -0.1696 0.0679 78 LYS B CA 3719 C C . LYS B 50 ? 0.4511 0.4181 0.6140 -0.1208 -0.1419 0.0654 78 LYS B C 3720 O O . LYS B 50 ? 0.4235 0.4155 0.6023 -0.1102 -0.1239 0.0566 78 LYS B O 3721 C CB . LYS B 50 ? 0.4529 0.4287 0.6761 -0.1091 -0.1708 0.0623 78 LYS B CB 3722 C CG . LYS B 50 ? 0.4697 0.4370 0.6621 -0.1176 -0.1656 0.0688 78 LYS B CG 3723 C CD . LYS B 50 ? 0.4699 0.4501 0.6900 -0.1097 -0.1689 0.0637 78 LYS B CD 3724 C CE . LYS B 50 ? 0.4917 0.4616 0.6787 -0.1194 -0.1650 0.0720 78 LYS B CE 3725 N NZ . LYS B 50 ? 0.4796 0.4696 0.6895 -0.1096 -0.1582 0.0646 78 LYS B NZ 3726 N N . TRP B 51 ? 0.4745 0.4196 0.5964 -0.1373 -0.1393 0.0721 79 TRP B N 3727 C CA . TRP B 51 ? 0.4631 0.4174 0.5666 -0.1416 -0.1140 0.0669 79 TRP B CA 3728 C C . TRP B 51 ? 0.4400 0.4174 0.5592 -0.1341 -0.1045 0.0644 79 TRP B C 3729 O O . TRP B 51 ? 0.4526 0.4243 0.5703 -0.1374 -0.1147 0.0699 79 TRP B O 3730 C CB . TRP B 51 ? 0.4964 0.4207 0.5549 -0.1656 -0.1115 0.0708 79 TRP B CB 3731 C CG . TRP B 51 ? 0.5187 0.4205 0.5545 -0.1758 -0.1127 0.0696 79 TRP B CG 3732 C CD1 . TRP B 51 ? 0.5888 0.4547 0.5942 -0.1933 -0.1322 0.0783 79 TRP B CD1 3733 C CD2 . TRP B 51 ? 0.5036 0.4145 0.5430 -0.1705 -0.0946 0.0589 79 TRP B CD2 3734 N NE1 . TRP B 51 ? 0.5960 0.4490 0.5844 -0.1994 -0.1255 0.0729 79 TRP B NE1 3735 C CE2 . TRP B 51 ? 0.5353 0.4165 0.5460 -0.1845 -0.1017 0.0603 79 TRP B CE2 3736 C CE3 . TRP B 51 ? 0.4689 0.4075 0.5323 -0.1561 -0.0749 0.0485 79 TRP B CE3 3737 C CZ2 . TRP B 51 ? 0.5299 0.4108 0.5374 -0.1827 -0.0870 0.0500 79 TRP B CZ2 3738 C CZ3 . TRP B 51 ? 0.4645 0.4017 0.5262 -0.1544 -0.0627 0.0394 79 TRP B CZ3 3739 C CH2 . TRP B 51 ? 0.4932 0.4029 0.5281 -0.1667 -0.0674 0.0393 79 TRP B CH2 3740 N N . VAL B 52 ? 0.4122 0.4139 0.5458 -0.1245 -0.0864 0.0564 80 VAL B N 3741 C CA . VAL B 52 ? 0.3916 0.4143 0.5376 -0.1185 -0.0772 0.0538 80 VAL B CA 3742 C C . VAL B 52 ? 0.3828 0.4108 0.5193 -0.1241 -0.0592 0.0495 80 VAL B C 3743 O O . VAL B 52 ? 0.3955 0.4087 0.5151 -0.1346 -0.0536 0.0474 80 VAL B O 3744 C CB . VAL B 52 ? 0.3697 0.4153 0.5470 -0.1036 -0.0770 0.0473 80 VAL B CB 3745 C CG1 . VAL B 52 ? 0.3781 0.4183 0.5746 -0.0998 -0.0952 0.0477 80 VAL B CG1 3746 C CG2 . VAL B 52 ? 0.3579 0.4126 0.5427 -0.0982 -0.0681 0.0414 80 VAL B CG2 3747 N N . SER B 53 ? 0.3841 0.4312 0.5327 -0.1188 -0.0508 0.0470 81 SER B N 3748 C CA . SER B 53 ? 0.3749 0.4250 0.5203 -0.1264 -0.0377 0.0432 81 SER B CA 3749 C C . SER B 53 ? 0.3528 0.4050 0.5064 -0.1235 -0.0304 0.0360 81 SER B C 3750 O O . SER B 53 ? 0.3425 0.4005 0.5052 -0.1133 -0.0333 0.0347 81 SER B O 3751 C CB . SER B 53 ? 0.3645 0.4330 0.5216 -0.1225 -0.0337 0.0436 81 SER B CB 3752 O OG . SER B 53 ? 0.3448 0.4277 0.5163 -0.1110 -0.0343 0.0411 81 SER B OG 3753 N N . ARG B 54 ? 0.3940 0.4417 0.5478 -0.1336 -0.0204 0.0296 82 ARG B N 3754 C CA . ARG B 54 ? 0.3771 0.4242 0.5434 -0.1322 -0.0139 0.0205 82 ARG B CA 3755 C C . ARG B 54 ? 0.3805 0.4133 0.5358 -0.1315 -0.0147 0.0179 82 ARG B C 3756 O O . ARG B 54 ? 0.3621 0.3979 0.5279 -0.1226 -0.0138 0.0138 82 ARG B O 3757 C CB . ARG B 54 ? 0.3546 0.4184 0.5401 -0.1204 -0.0170 0.0213 82 ARG B CB 3758 C CG . ARG B 54 ? 0.3550 0.4317 0.5493 -0.1222 -0.0171 0.0243 82 ARG B CG 3759 C CD . ARG B 54 ? 0.3420 0.4280 0.5539 -0.1177 -0.0207 0.0233 82 ARG B CD 3760 N NE . ARG B 54 ? 0.3369 0.4297 0.5435 -0.1091 -0.0268 0.0281 82 ARG B NE 3761 C CZ . ARG B 54 ? 0.4057 0.5090 0.6081 -0.1071 -0.0295 0.0325 82 ARG B CZ 3762 N NH1 . ARG B 54 ? 0.3638 0.4732 0.5670 -0.1101 -0.0276 0.0348 82 ARG B NH1 3763 N NH2 . ARG B 54 ? 0.3973 0.5052 0.5951 -0.1035 -0.0323 0.0329 82 ARG B NH2 3764 N N . ASN B 55 ? 0.3768 0.3919 0.5088 -0.1423 -0.0172 0.0207 83 ASN B N 3765 C CA . ASN B 55 ? 0.3937 0.3901 0.5102 -0.1468 -0.0172 0.0174 83 ASN B CA 3766 C C . ASN B 55 ? 0.3851 0.3894 0.5107 -0.1302 -0.0265 0.0222 83 ASN B C 3767 O O . ASN B 55 ? 0.3864 0.3848 0.5114 -0.1270 -0.0235 0.0171 83 ASN B O 3768 C CB . ASN B 55 ? 0.3936 0.3825 0.5156 -0.1543 -0.0024 0.0019 83 ASN B CB 3769 C CG . ASN B 55 ? 0.4144 0.3860 0.5201 -0.1792 0.0085 -0.0071 83 ASN B CG 3770 O OD1 . ASN B 55 ? 0.4169 0.3922 0.5189 -0.1880 0.0082 -0.0025 83 ASN B OD1 3771 N ND2 . ASN B 55 ? 0.4941 0.4462 0.5886 -0.1926 0.0193 -0.0211 83 ASN B ND2 3772 N N . ARG B 56 ? 0.3813 0.4001 0.5184 -0.1203 -0.0362 0.0299 84 ARG B N 3773 C CA . ARG B 56 ? 0.3636 0.3951 0.5178 -0.1065 -0.0422 0.0309 84 ARG B CA 3774 C C . ARG B 56 ? 0.3865 0.4078 0.5376 -0.1076 -0.0575 0.0373 84 ARG B C 3775 O O . ARG B 56 ? 0.4158 0.4242 0.5536 -0.1165 -0.0663 0.0435 84 ARG B O 3776 C CB . ARG B 56 ? 0.3434 0.3980 0.5172 -0.0975 -0.0407 0.0304 84 ARG B CB 3777 C CG . ARG B 56 ? 0.3303 0.3928 0.5114 -0.0946 -0.0312 0.0250 84 ARG B CG 3778 C CD . ARG B 56 ? 0.3181 0.3973 0.5096 -0.0913 -0.0310 0.0255 84 ARG B CD 3779 N NE . ARG B 56 ? 0.3234 0.4042 0.5108 -0.0960 -0.0322 0.0291 84 ARG B NE 3780 C CZ . ARG B 56 ? 0.3234 0.4167 0.5157 -0.0946 -0.0331 0.0301 84 ARG B CZ 3781 N NH1 . ARG B 56 ? 0.3157 0.4194 0.5147 -0.0918 -0.0326 0.0271 84 ARG B NH1 3782 N NH2 . ARG B 56 ? 0.3340 0.4288 0.5228 -0.0981 -0.0334 0.0331 84 ARG B NH2 3783 N N . LEU B 57 ? 0.3746 0.3997 0.5388 -0.0998 -0.0620 0.0357 85 LEU B N 3784 C CA . LEU B 57 ? 0.3881 0.4036 0.5583 -0.1000 -0.0797 0.0406 85 LEU B CA 3785 C C . LEU B 57 ? 0.3674 0.4076 0.5758 -0.0880 -0.0833 0.0361 85 LEU B C 3786 O O . LEU B 57 ? 0.3497 0.4067 0.5756 -0.0803 -0.0747 0.0296 85 LEU B O 3787 C CB . LEU B 57 ? 0.4011 0.4004 0.5586 -0.1030 -0.0815 0.0403 85 LEU B CB 3788 C CG . LEU B 57 ? 0.4234 0.4041 0.5809 -0.1075 -0.1040 0.0473 85 LEU B CG 3789 C CD1 . LEU B 57 ? 0.4545 0.4088 0.5858 -0.1230 -0.1186 0.0567 85 LEU B CD1 3790 C CD2 . LEU B 57 ? 0.4350 0.4006 0.5771 -0.1106 -0.1028 0.0459 85 LEU B CD2 3791 N N . PHE B 58 ? 0.3708 0.4123 0.5929 -0.0884 -0.0949 0.0379 86 PHE B N 3792 C CA . PHE B 58 ? 0.3533 0.4173 0.6134 -0.0808 -0.0957 0.0293 86 PHE B CA 3793 C C . PHE B 58 ? 0.3583 0.4196 0.6508 -0.0785 -0.1140 0.0270 86 PHE B C 3794 O O . PHE B 58 ? 0.3813 0.4188 0.6662 -0.0839 -0.1341 0.0355 86 PHE B O 3795 C CB . PHE B 58 ? 0.3531 0.4202 0.6137 -0.0824 -0.0964 0.0292 86 PHE B CB 3796 C CG . PHE B 58 ? 0.3379 0.4262 0.6357 -0.0777 -0.0943 0.0166 86 PHE B CG 3797 C CD1 . PHE B 58 ? 0.3218 0.4300 0.6210 -0.0772 -0.0763 0.0084 86 PHE B CD1 3798 C CD2 . PHE B 58 ? 0.3429 0.4287 0.6748 -0.0764 -0.1111 0.0114 86 PHE B CD2 3799 C CE1 . PHE B 58 ? 0.3121 0.4378 0.6419 -0.0776 -0.0717 -0.0063 86 PHE B CE1 3800 C CE2 . PHE B 58 ? 0.3297 0.4348 0.7004 -0.0746 -0.1066 -0.0051 86 PHE B CE2 3801 C CZ . PHE B 58 ? 0.3149 0.4401 0.6823 -0.0763 -0.0852 -0.0147 86 PHE B CZ 3802 N N . ASN B 59 ? 0.3387 0.4233 0.6686 -0.0726 -0.1081 0.0151 87 ASN B N 3803 C CA . ASN B 59 ? 0.3385 0.4259 0.7121 -0.0704 -0.1246 0.0093 87 ASN B CA 3804 C C . ASN B 59 ? 0.3288 0.4321 0.7476 -0.0698 -0.1273 -0.0051 87 ASN B C 3805 O O . ASN B 59 ? 0.3122 0.4375 0.7401 -0.0703 -0.1081 -0.0171 87 ASN B O 3806 C CB . ASN B 59 ? 0.3227 0.4261 0.7128 -0.0661 -0.1149 0.0033 87 ASN B CB 3807 C CG . ASN B 59 ? 0.3199 0.4288 0.7627 -0.0642 -0.1323 -0.0039 87 ASN B CG 3808 O OD1 . ASN B 59 ? 0.3020 0.4355 0.7940 -0.0635 -0.1272 -0.0206 87 ASN B OD1 3809 N ND2 . ASN B 59 ? 0.3396 0.4246 0.7734 -0.0656 -0.1530 0.0073 87 ASN B ND2 3810 N N . LEU B 60 ? 0.3422 0.4318 0.7889 -0.0706 -0.1521 -0.0050 88 LEU B N 3811 C CA . LEU B 60 ? 0.3373 0.4385 0.8287 -0.0705 -0.1551 -0.0212 88 LEU B CA 3812 C C . LEU B 60 ? 0.3632 0.4930 0.9149 -0.0703 -0.1462 -0.0442 88 LEU B C 3813 O O . LEU B 60 ? 0.3670 0.5155 0.9434 -0.0735 -0.1316 -0.0630 88 LEU B O 3814 C CB . LEU B 60 ? 0.4114 0.4861 0.9181 -0.0718 -0.1871 -0.0147 88 LEU B CB 3815 C CG . LEU B 60 ? 0.4464 0.5018 0.9028 -0.0747 -0.1878 -0.0004 88 LEU B CG 3816 C CD1 . LEU B 60 ? 0.4109 0.4423 0.8068 -0.0804 -0.1906 0.0212 88 LEU B CD1 3817 C CD2 . LEU B 60 ? 0.6596 0.6978 1.1429 -0.0755 -0.2133 -0.0018 88 LEU B CD2 3818 N N . GLY B 61 ? 0.3689 0.5032 0.9442 -0.0686 -0.1528 -0.0447 89 GLY B N 3819 C CA . GLY B 61 ? 0.4504 0.6074 1.0667 -0.0672 -0.1371 -0.0662 89 GLY B CA 3820 C C . GLY B 61 ? 0.2880 0.4719 0.8908 -0.0730 -0.1050 -0.0765 89 GLY B C 3821 O O . GLY B 61 ? 0.3792 0.5742 0.9927 -0.0767 -0.0865 -0.0958 89 GLY B O 3822 N N . THR B 62 ? 0.2990 0.4831 0.8591 -0.0727 -0.0959 -0.0618 90 THR B N 3823 C CA . THR B 62 ? 0.2593 0.4613 0.7971 -0.0780 -0.0684 -0.0678 90 THR B CA 3824 C C . THR B 62 ? 0.2668 0.4630 0.7662 -0.0825 -0.0584 -0.0653 90 THR B C 3825 O O . THR B 62 ? 0.2620 0.4715 0.7487 -0.0910 -0.0385 -0.0736 90 THR B O 3826 C CB . THR B 62 ? 0.3366 0.5341 0.8386 -0.0725 -0.0631 -0.0530 90 THR B CB 3827 O OG1 . THR B 62 ? 0.4291 0.6443 0.9194 -0.0784 -0.0399 -0.0600 90 THR B OG1 3828 C CG2 . THR B 62 ? 0.2730 0.4442 0.7202 -0.0684 -0.0697 -0.0328 90 THR B CG2 3829 N N . MET B 63 ? 0.2801 0.4562 0.7608 -0.0786 -0.0728 -0.0540 91 MET B N 3830 C CA . MET B 63 ? 0.2865 0.4556 0.7274 -0.0810 -0.0650 -0.0478 91 MET B CA 3831 C C . MET B 63 ? 0.2849 0.4538 0.6801 -0.0821 -0.0505 -0.0374 91 MET B C 3832 O O . MET B 63 ? 0.2842 0.4597 0.6613 -0.0889 -0.0367 -0.0414 91 MET B O 3833 C CB . MET B 63 ? 0.2833 0.4657 0.7481 -0.0889 -0.0552 -0.0679 91 MET B CB 3834 C CG . MET B 63 ? 0.3237 0.4984 0.8259 -0.0859 -0.0729 -0.0753 91 MET B CG 3835 S SD . MET B 63 ? 0.7041 0.8998 1.2625 -0.0970 -0.0598 -0.1104 91 MET B SD 3836 C CE . MET B 63 ? 0.9705 1.1679 1.4783 -0.1057 -0.0379 -0.1113 91 MET B CE 3837 N N . GLN B 64 ? 0.3096 0.4675 0.6856 -0.0764 -0.0555 -0.0241 92 GLN B N 3838 C CA . GLN B 64 ? 0.2855 0.4413 0.6269 -0.0764 -0.0441 -0.0164 92 GLN B CA 3839 C C . GLN B 64 ? 0.2956 0.4297 0.6091 -0.0718 -0.0525 -0.0016 92 GLN B C 3840 O O . GLN B 64 ? 0.3470 0.4667 0.6621 -0.0709 -0.0671 0.0040 92 GLN B O 3841 C CB . GLN B 64 ? 0.3078 0.4802 0.6653 -0.0777 -0.0333 -0.0248 92 GLN B CB 3842 C CG . GLN B 64 ? 0.3206 0.5115 0.6889 -0.0892 -0.0187 -0.0395 92 GLN B CG 3843 C CD . GLN B 64 ? 0.2615 0.4677 0.6429 -0.0923 -0.0076 -0.0466 92 GLN B CD 3844 O OE1 . GLN B 64 ? 0.3586 0.5681 0.7599 -0.0845 -0.0121 -0.0458 92 GLN B OE1 3845 N NE2 . GLN B 64 ? 0.2617 0.4755 0.6295 -0.1049 0.0059 -0.0528 92 GLN B NE2 3846 N N . CYS B 65 ? 0.2945 0.4240 0.5825 -0.0712 -0.0438 0.0034 93 CYS B N 3847 C CA . CYS B 65 ? 0.3053 0.4140 0.5664 -0.0706 -0.0471 0.0128 93 CYS B CA 3848 C C . CYS B 65 ? 0.3017 0.4078 0.5606 -0.0664 -0.0425 0.0119 93 CYS B C 3849 O O . CYS B 65 ? 0.2893 0.4089 0.5565 -0.0639 -0.0330 0.0067 93 CYS B O 3850 C CB . CYS B 65 ? 0.3077 0.4106 0.5454 -0.0744 -0.0409 0.0165 93 CYS B CB 3851 S SG . CYS B 65 ? 0.3143 0.4149 0.5471 -0.0790 -0.0465 0.0200 93 CYS B SG 3852 N N . LEU B 66 ? 0.3150 0.4020 0.5604 -0.0673 -0.0494 0.0167 94 LEU B N 3853 C CA . LEU B 66 ? 0.3144 0.3949 0.5529 -0.0640 -0.0442 0.0150 94 LEU B CA 3854 C C . LEU B 66 ? 0.3094 0.3873 0.5330 -0.0635 -0.0308 0.0119 94 LEU B C 3855 O O . LEU B 66 ? 0.3175 0.3842 0.5245 -0.0695 -0.0288 0.0132 94 LEU B O 3856 C CB . LEU B 66 ? 0.3374 0.3917 0.5553 -0.0701 -0.0542 0.0203 94 LEU B CB 3857 C CG . LEU B 66 ? 0.3386 0.3856 0.5516 -0.0669 -0.0505 0.0174 94 LEU B CG 3858 C CD1 . LEU B 66 ? 0.3230 0.3896 0.5710 -0.0582 -0.0557 0.0150 94 LEU B CD1 3859 C CD2 . LEU B 66 ? 0.3694 0.3833 0.5488 -0.0789 -0.0577 0.0215 94 LEU B CD2 3860 N N . GLY B 67 ? 0.2966 0.3835 0.5292 -0.0570 -0.0224 0.0068 95 GLY B N 3861 C CA . GLY B 67 ? 0.2951 0.3740 0.5169 -0.0564 -0.0133 0.0029 95 GLY B CA 3862 C C . GLY B 67 ? 0.2844 0.3671 0.5133 -0.0486 -0.0053 -0.0029 95 GLY B C 3863 O O . GLY B 67 ? 0.2753 0.3704 0.5182 -0.0431 -0.0049 -0.0038 95 GLY B O 3864 N N . THR B 68 ? 0.2849 0.3568 0.5080 -0.0483 0.0008 -0.0081 96 THR B N 3865 C CA . THR B 68 ? 0.2741 0.3490 0.5056 -0.0406 0.0079 -0.0141 96 THR B CA 3866 C C . THR B 68 ? 0.2716 0.3478 0.5078 -0.0425 0.0060 -0.0138 96 THR B C 3867 O O . THR B 68 ? 0.2790 0.3494 0.5113 -0.0495 0.0006 -0.0110 96 THR B O 3868 C CB . THR B 68 ? 0.2804 0.3353 0.5039 -0.0389 0.0153 -0.0237 96 THR B CB 3869 O OG1 . THR B 68 ? 0.2897 0.3274 0.5097 -0.0456 0.0167 -0.0301 96 THR B OG1 3870 C CG2 . THR B 68 ? 0.2928 0.3382 0.5022 -0.0426 0.0137 -0.0222 96 THR B CG2 3871 N N . GLY B 69 ? 0.2625 0.3452 0.5071 -0.0372 0.0092 -0.0161 97 GLY B N 3872 C CA . GLY B 69 ? 0.2650 0.3459 0.5113 -0.0413 0.0036 -0.0139 97 GLY B CA 3873 C C . GLY B 69 ? 0.2676 0.3289 0.5207 -0.0376 0.0025 -0.0216 97 GLY B C 3874 O O . GLY B 69 ? 0.2662 0.3165 0.5228 -0.0319 0.0096 -0.0313 97 GLY B O 3875 N N . TRP B 70 ? 0.2739 0.3292 0.5295 -0.0425 -0.0076 -0.0181 98 TRP B N 3876 C CA . TRP B 70 ? 0.2774 0.3136 0.5463 -0.0394 -0.0135 -0.0251 98 TRP B CA 3877 C C . TRP B 70 ? 0.2767 0.3172 0.5435 -0.0390 -0.0164 -0.0208 98 TRP B C 3878 O O . TRP B 70 ? 0.2904 0.3226 0.5521 -0.0488 -0.0307 -0.0133 98 TRP B O 3879 C CB . TRP B 70 ? 0.2901 0.3105 0.5666 -0.0482 -0.0287 -0.0236 98 TRP B CB 3880 C CG . TRP B 70 ? 0.2911 0.3088 0.5706 -0.0516 -0.0251 -0.0281 98 TRP B CG 3881 C CD1 . TRP B 70 ? 0.2947 0.3211 0.5629 -0.0592 -0.0277 -0.0195 98 TRP B CD1 3882 C CD2 . TRP B 70 ? 0.2900 0.2949 0.5838 -0.0499 -0.0166 -0.0438 98 TRP B CD2 3883 N NE1 . TRP B 70 ? 0.2955 0.3159 0.5694 -0.0620 -0.0222 -0.0271 98 TRP B NE1 3884 C CE2 . TRP B 70 ? 0.2940 0.3008 0.5828 -0.0581 -0.0147 -0.0427 98 TRP B CE2 3885 C CE3 . TRP B 70 ? 0.2874 0.2784 0.5982 -0.0440 -0.0094 -0.0607 98 TRP B CE3 3886 C CZ2 . TRP B 70 ? 0.2974 0.2929 0.5948 -0.0634 -0.0050 -0.0576 98 TRP B CZ2 3887 C CZ3 . TRP B 70 ? 0.2910 0.2700 0.6114 -0.0490 0.0010 -0.0775 98 TRP B CZ3 3888 C CH2 . TRP B 70 ? 0.2969 0.2781 0.6098 -0.0601 0.0033 -0.0757 98 TRP B CH2 3889 N N . PRO B 71 ? 0.2658 0.3182 0.5343 -0.0300 -0.0039 -0.0247 99 PRO B N 3890 C CA . PRO B 71 ? 0.2668 0.3238 0.5336 -0.0313 -0.0052 -0.0213 99 PRO B CA 3891 C C . PRO B 71 ? 0.3080 0.3407 0.5868 -0.0273 -0.0157 -0.0265 99 PRO B C 3892 O O . PRO B 71 ? 0.2793 0.2954 0.5748 -0.0194 -0.0159 -0.0380 99 PRO B O 3893 C CB . PRO B 71 ? 0.2427 0.3212 0.5142 -0.0210 0.0127 -0.0260 99 PRO B CB 3894 C CG . PRO B 71 ? 0.2371 0.3086 0.5140 -0.0113 0.0197 -0.0348 99 PRO B CG 3895 C CD . PRO B 71 ? 0.2757 0.3403 0.5452 -0.0210 0.0112 -0.0302 99 PRO B CD 3896 N N . GLY B 72 ? 0.2793 0.3088 0.5505 -0.0349 -0.0243 -0.0194 100 GLY B N 3897 C CA . GLY B 72 ? 0.2856 0.2922 0.5702 -0.0301 -0.0355 -0.0240 100 GLY B CA 3898 C C . GLY B 72 ? 0.2646 0.2757 0.5655 -0.0114 -0.0190 -0.0375 100 GLY B C 3899 O O . GLY B 72 ? 0.2662 0.2558 0.5870 -0.0030 -0.0254 -0.0478 100 GLY B O 3900 N N . THR B 73 ? 0.2951 0.3332 0.5910 -0.0048 0.0017 -0.0391 101 THR B N 3901 C CA . THR B 73 ? 0.2608 0.3023 0.5702 0.0128 0.0179 -0.0524 101 THR B CA 3902 C C . THR B 73 ? 0.2670 0.2973 0.5831 0.0179 0.0232 -0.0641 101 THR B C 3903 O O . THR B 73 ? 0.2490 0.2923 0.5546 0.0152 0.0305 -0.0610 101 THR B O 3904 C CB . THR B 73 ? 0.2317 0.3057 0.5365 0.0166 0.0357 -0.0495 101 THR B CB 3905 O OG1 . THR B 73 ? 0.3115 0.4034 0.6065 0.0069 0.0372 -0.0416 101 THR B OG1 3906 C CG2 . THR B 73 ? 0.2331 0.3179 0.5352 0.0116 0.0358 -0.0434 101 THR B CG2 3907 N N . ASN B 74 ? 0.2540 0.2596 0.5886 0.0244 0.0213 -0.0798 102 ASN B N 3908 C CA . ASN B 74 ? 0.2578 0.2515 0.5966 0.0230 0.0280 -0.0929 102 ASN B CA 3909 C C . ASN B 74 ? 0.2368 0.2386 0.5686 0.0327 0.0493 -0.1029 102 ASN B C 3910 O O . ASN B 74 ? 0.2399 0.2317 0.5647 0.0344 0.0542 -0.1127 102 ASN B O 3911 C CB . ASN B 74 ? 0.2784 0.2428 0.6455 0.0228 0.0195 -0.1103 102 ASN B CB 3912 C CG . ASN B 74 ? 0.2875 0.2415 0.6578 0.0150 0.0278 -0.1250 102 ASN B CG 3913 O OD1 . ASN B 74 ? 0.2798 0.2429 0.6291 0.0117 0.0403 -0.1230 102 ASN B OD1 3914 N ND2 . ASN B 74 ? 0.3077 0.2569 0.6904 0.0084 0.0190 -0.1313 102 ASN B ND2 3915 N N . THR B 75 ? 0.2567 0.2770 0.5693 0.0294 0.0554 -0.0929 103 THR B N 3916 C CA . THR B 75 ? 0.2408 0.2689 0.5449 0.0369 0.0714 -0.0987 103 THR B CA 3917 C C . THR B 75 ? 0.2497 0.2792 0.5348 0.0270 0.0719 -0.0932 103 THR B C 3918 O O . THR B 75 ? 0.2708 0.2939 0.5511 0.0157 0.0628 -0.0883 103 THR B O 3919 C CB . THR B 75 ? 0.2182 0.2712 0.5194 0.0444 0.0743 -0.0881 103 THR B CB 3920 O OG1 . THR B 75 ? 0.3163 0.3655 0.5866 0.0463 0.0795 -0.0876 103 THR B OG1 3921 C CG2 . THR B 75 ? 0.2100 0.2904 0.5117 0.0381 0.0699 -0.0721 103 THR B CG2 3922 N N . THR B 76 ? 0.2280 0.2640 0.5025 0.0307 0.0810 -0.0940 104 THR B N 3923 C CA . THR B 76 ? 0.2444 0.2752 0.4988 0.0200 0.0788 -0.0893 104 THR B CA 3924 C C . THR B 76 ? 0.2430 0.2932 0.4981 0.0140 0.0659 -0.0709 104 THR B C 3925 O O . THR B 76 ? 0.2239 0.2983 0.4926 0.0192 0.0636 -0.0623 104 THR B O 3926 C CB . THR B 76 ? 0.2398 0.2726 0.4843 0.0249 0.0869 -0.0918 104 THR B CB 3927 O OG1 . THR B 76 ? 0.2117 0.2737 0.4743 0.0373 0.0881 -0.0843 104 THR B OG1 3928 C CG2 . THR B 76 ? 0.2704 0.2803 0.5093 0.0282 0.1017 -0.1128 104 THR B CG2 3929 N N . ALA B 77 ? 0.2471 0.2861 0.4886 0.0014 0.0589 -0.0669 105 ALA B N 3930 C CA . ALA B 77 ? 0.2473 0.3023 0.4895 -0.0045 0.0474 -0.0517 105 ALA B CA 3931 C C . ALA B 77 ? 0.2469 0.3130 0.4869 -0.0046 0.0432 -0.0439 105 ALA B C 3932 O O . ALA B 77 ? 0.2549 0.3092 0.4836 -0.0044 0.0463 -0.0481 105 ALA B O 3933 C CB . ALA B 77 ? 0.2654 0.3047 0.4962 -0.0174 0.0410 -0.0505 105 ALA B CB 3934 N N . SER B 78 ? 0.2395 0.3269 0.4922 -0.0064 0.0351 -0.0338 106 SER B N 3935 C CA . SER B 78 ? 0.2433 0.3376 0.5002 -0.0094 0.0258 -0.0269 106 SER B CA 3936 C C . SER B 78 ? 0.2500 0.3496 0.5092 -0.0181 0.0150 -0.0190 106 SER B C 3937 O O . SER B 78 ? 0.3442 0.4465 0.6023 -0.0214 0.0159 -0.0181 106 SER B O 3938 C CB . SER B 78 ? 0.2214 0.3426 0.5062 -0.0007 0.0284 -0.0273 106 SER B CB 3939 O OG . SER B 78 ? 0.2041 0.3484 0.5070 0.0008 0.0342 -0.0281 106 SER B OG 3940 N N . LEU B 79 ? 0.2582 0.3575 0.5217 -0.0220 0.0033 -0.0135 107 LEU B N 3941 C CA . LEU B 79 ? 0.2668 0.3676 0.5331 -0.0298 -0.0082 -0.0072 107 LEU B CA 3942 C C . LEU B 79 ? 0.2483 0.3785 0.5445 -0.0288 -0.0065 -0.0088 107 LEU B C 3943 O O . LEU B 79 ? 0.2303 0.3823 0.5527 -0.0239 -0.0013 -0.0135 107 LEU B O 3944 C CB . LEU B 79 ? 0.2836 0.3716 0.5485 -0.0345 -0.0241 -0.0016 107 LEU B CB 3945 C CG . LEU B 79 ? 0.3100 0.3641 0.5368 -0.0420 -0.0253 -0.0007 107 LEU B CG 3946 C CD1 . LEU B 79 ? 0.3293 0.3690 0.5542 -0.0476 -0.0440 0.0061 107 LEU B CD1 3947 C CD2 . LEU B 79 ? 0.3270 0.3635 0.5278 -0.0527 -0.0242 0.0007 107 LEU B CD2 3948 N N . GLY B 80 ? 0.2537 0.3846 0.5457 -0.0355 -0.0095 -0.0064 108 GLY B N 3949 C CA . GLY B 80 ? 0.2424 0.3972 0.5583 -0.0392 -0.0074 -0.0102 108 GLY B CA 3950 C C . GLY B 80 ? 0.2542 0.4035 0.5661 -0.0464 -0.0164 -0.0069 108 GLY B C 3951 O O . GLY B 80 ? 0.2695 0.3979 0.5578 -0.0486 -0.0228 -0.0006 108 GLY B O 3952 N N . MET B 81 ? 0.2470 0.4159 0.5838 -0.0516 -0.0154 -0.0132 109 MET B N 3953 C CA . MET B 81 ? 0.2556 0.4226 0.5921 -0.0583 -0.0213 -0.0130 109 MET B CA 3954 C C . MET B 81 ? 0.2553 0.4293 0.5793 -0.0662 -0.0111 -0.0158 109 MET B C 3955 O O . MET B 81 ? 0.2474 0.4364 0.5800 -0.0708 -0.0007 -0.0227 109 MET B O 3956 C CB . MET B 81 ? 0.2511 0.4319 0.6287 -0.0604 -0.0287 -0.0214 109 MET B CB 3957 C CG . MET B 81 ? 0.2563 0.4263 0.6476 -0.0546 -0.0447 -0.0169 109 MET B CG 3958 S SD . MET B 81 ? 0.3388 0.4724 0.6868 -0.0547 -0.0592 -0.0012 109 MET B SD 3959 C CE . MET B 81 ? 0.3035 0.4352 0.6455 -0.0609 -0.0618 -0.0009 109 MET B CE 3960 N N . TYR B 82 ? 0.2662 0.4281 0.5683 -0.0698 -0.0148 -0.0103 110 TYR B N 3961 C CA . TYR B 82 ? 0.2708 0.4336 0.5557 -0.0785 -0.0089 -0.0106 110 TYR B CA 3962 C C . TYR B 82 ? 0.2785 0.4393 0.5591 -0.0843 -0.0128 -0.0107 110 TYR B C 3963 O O . TYR B 82 ? 0.2820 0.4345 0.5634 -0.0798 -0.0211 -0.0064 110 TYR B O 3964 C CB . TYR B 82 ? 0.2756 0.4224 0.5348 -0.0761 -0.0093 -0.0026 110 TYR B CB 3965 C CG . TYR B 82 ? 0.2686 0.4147 0.5304 -0.0696 -0.0050 -0.0035 110 TYR B CG 3966 C CD1 . TYR B 82 ? 0.2656 0.4200 0.5281 -0.0743 0.0016 -0.0069 110 TYR B CD1 3967 C CD2 . TYR B 82 ? 0.2670 0.4030 0.5287 -0.0603 -0.0071 -0.0016 110 TYR B CD2 3968 C CE1 . TYR B 82 ? 0.2575 0.4120 0.5239 -0.0670 0.0062 -0.0082 110 TYR B CE1 3969 C CE2 . TYR B 82 ? 0.2599 0.3953 0.5243 -0.0536 -0.0017 -0.0041 110 TYR B CE2 3970 C CZ . TYR B 82 ? 0.2531 0.3991 0.5219 -0.0555 0.0050 -0.0073 110 TYR B CZ 3971 O OH . TYR B 82 ? 0.2447 0.3903 0.5172 -0.0475 0.0107 -0.0100 110 TYR B OH 3972 N N . GLU B 83 ? 0.2835 0.4502 0.5564 -0.0958 -0.0067 -0.0154 111 GLU B N 3973 C CA . GLU B 83 ? 0.2919 0.4546 0.5533 -0.1018 -0.0088 -0.0147 111 GLU B CA 3974 C C . GLU B 83 ? 0.2951 0.4416 0.5374 -0.0949 -0.0166 -0.0021 111 GLU B C 3975 O O . GLU B 83 ? 0.2960 0.4328 0.5257 -0.0923 -0.0178 0.0042 111 GLU B O 3976 C CB . GLU B 83 ? 0.3027 0.4671 0.5466 -0.1178 -0.0023 -0.0188 111 GLU B CB 3977 C CG . GLU B 83 ? 0.4004 0.5810 0.6622 -0.1312 0.0089 -0.0357 111 GLU B CG 3978 C CD . GLU B 83 ? 0.5330 0.7217 0.8184 -0.1325 0.0103 -0.0479 111 GLU B CD 3979 O OE1 . GLU B 83 ? 0.6340 0.8168 0.9031 -0.1383 0.0098 -0.0478 111 GLU B OE1 3980 O OE2 . GLU B 83 ? 0.4087 0.6091 0.7314 -0.1275 0.0105 -0.0578 111 GLU B OE2 3981 N N . CYS B 84 ? 0.2968 0.4404 0.5406 -0.0928 -0.0213 -0.0003 112 CYS B N 3982 C CA . CYS B 84 ? 0.2993 0.4292 0.5296 -0.0880 -0.0269 0.0096 112 CYS B CA 3983 C C . CYS B 84 ? 0.3028 0.4270 0.5157 -0.0928 -0.0265 0.0145 112 CYS B C 3984 O O . CYS B 84 ? 0.3034 0.4173 0.5099 -0.0909 -0.0288 0.0199 112 CYS B O 3985 C CB . CYS B 84 ? 0.3053 0.4326 0.5413 -0.0859 -0.0330 0.0108 112 CYS B CB 3986 S SG . CYS B 84 ? 0.4361 0.5608 0.6930 -0.0803 -0.0416 0.0089 112 CYS B SG 3987 N N . ASP B 85 ? 0.3219 0.4511 0.5284 -0.1013 -0.0242 0.0118 113 ASP B N 3988 C CA . ASP B 85 ? 0.3311 0.4521 0.5230 -0.1068 -0.0283 0.0178 113 ASP B CA 3989 C C . ASP B 85 ? 0.3263 0.4382 0.5149 -0.1078 -0.0316 0.0205 113 ASP B C 3990 O O . ASP B 85 ? 0.3993 0.5019 0.5806 -0.1133 -0.0388 0.0252 113 ASP B O 3991 C CB . ASP B 85 ? 0.3523 0.4769 0.5324 -0.1186 -0.0272 0.0150 113 ASP B CB 3992 C CG . ASP B 85 ? 0.4166 0.5480 0.5951 -0.1289 -0.0203 0.0055 113 ASP B CG 3993 O OD1 . ASP B 85 ? 0.4670 0.6007 0.6533 -0.1266 -0.0178 0.0032 113 ASP B OD1 3994 O OD2 . ASP B 85 ? 0.5974 0.7322 0.7674 -0.1409 -0.0158 -0.0016 113 ASP B OD2 3995 N N . ARG B 86 ? 0.3194 0.4325 0.5155 -0.1025 -0.0282 0.0176 114 ARG B N 3996 C CA . ARG B 86 ? 0.3968 0.5001 0.5904 -0.1033 -0.0319 0.0194 114 ARG B CA 3997 C C . ARG B 86 ? 0.4225 0.5153 0.6252 -0.0945 -0.0334 0.0198 114 ARG B C 3998 O O . ARG B 86 ? 0.3625 0.4542 0.5717 -0.0872 -0.0288 0.0163 114 ARG B O 3999 C CB . ARG B 86 ? 0.3128 0.4238 0.5099 -0.1036 -0.0256 0.0145 114 ARG B CB 4000 C CG . ARG B 86 ? 0.3243 0.4452 0.5138 -0.1174 -0.0209 0.0098 114 ARG B CG 4001 C CD . ARG B 86 ? 0.3160 0.4481 0.5152 -0.1184 -0.0123 0.0028 114 ARG B CD 4002 N NE . ARG B 86 ? 0.3529 0.4748 0.5461 -0.1175 -0.0158 0.0068 114 ARG B NE 4003 C CZ . ARG B 86 ? 0.3219 0.4522 0.5229 -0.1168 -0.0086 0.0023 114 ARG B CZ 4004 N NH1 . ARG B 86 ? 0.3024 0.4528 0.5211 -0.1177 0.0025 -0.0071 114 ARG B NH1 4005 N NH2 . ARG B 86 ? 0.3165 0.4353 0.5118 -0.1154 -0.0130 0.0061 114 ARG B NH2 4006 N N . GLU B 87 ? 0.3430 0.4269 0.5476 -0.0974 -0.0398 0.0224 115 GLU B N 4007 C CA . GLU B 87 ? 0.3605 0.4351 0.5769 -0.0933 -0.0383 0.0186 115 GLU B CA 4008 C C . GLU B 87 ? 0.3651 0.4262 0.5944 -0.0931 -0.0443 0.0148 115 GLU B C 4009 O O . GLU B 87 ? 0.3352 0.3872 0.5796 -0.0921 -0.0421 0.0074 115 GLU B O 4010 C CB . GLU B 87 ? 0.3611 0.4371 0.5796 -0.0972 -0.0387 0.0202 115 GLU B CB 4011 C CG . GLU B 87 ? 0.4608 0.5457 0.6696 -0.0950 -0.0326 0.0219 115 GLU B CG 4012 C CD . GLU B 87 ? 0.4789 0.5681 0.6857 -0.0989 -0.0328 0.0251 115 GLU B CD 4013 O OE1 . GLU B 87 ? 0.5116 0.6065 0.7163 -0.1024 -0.0370 0.0285 115 GLU B OE1 4014 O OE2 . GLU B 87 ? 0.4699 0.5554 0.6749 -0.1000 -0.0287 0.0241 115 GLU B OE2 4015 N N . ALA B 88 ? 0.3167 0.3746 0.5411 -0.0958 -0.0517 0.0181 116 ALA B N 4016 C CA . ALA B 88 ? 0.3183 0.3631 0.5549 -0.0926 -0.0564 0.0136 116 ALA B CA 4017 C C . ALA B 88 ? 0.3090 0.3572 0.5474 -0.0828 -0.0435 0.0067 116 ALA B C 4018 O O . ALA B 88 ? 0.3069 0.3437 0.5598 -0.0779 -0.0430 -0.0014 116 ALA B O 4019 C CB . ALA B 88 ? 0.3322 0.3704 0.5576 -0.1005 -0.0685 0.0203 116 ALA B CB 4020 N N . LEU B 89 ? 0.3044 0.3675 0.5313 -0.0801 -0.0342 0.0085 117 LEU B N 4021 C CA . LEU B 89 ? 0.3170 0.3830 0.5465 -0.0714 -0.0239 0.0029 117 LEU B CA 4022 C C . LEU B 89 ? 0.2960 0.3543 0.5271 -0.0705 -0.0186 -0.0022 117 LEU B C 4023 O O . LEU B 89 ? 0.2999 0.3543 0.5319 -0.0765 -0.0214 -0.0015 117 LEU B O 4024 C CB . LEU B 89 ? 0.2910 0.3749 0.5152 -0.0704 -0.0186 0.0055 117 LEU B CB 4025 C CG . LEU B 89 ? 0.4052 0.4967 0.6246 -0.0775 -0.0210 0.0083 117 LEU B CG 4026 C CD1 . LEU B 89 ? 0.3917 0.5033 0.6153 -0.0781 -0.0127 0.0056 117 LEU B CD1 4027 C CD2 . LEU B 89 ? 0.2975 0.3777 0.5194 -0.0762 -0.0247 0.0070 117 LEU B CD2 4028 N N . ASN B 90 ? 0.2937 0.3493 0.5231 -0.0651 -0.0106 -0.0075 118 ASN B N 4029 C CA . ASN B 90 ? 0.3008 0.3451 0.5238 -0.0692 -0.0053 -0.0126 118 ASN B CA 4030 C C . ASN B 90 ? 0.3040 0.3562 0.5148 -0.0702 -0.0070 -0.0048 118 ASN B C 4031 O O . ASN B 90 ? 0.3032 0.3578 0.5113 -0.0656 -0.0055 -0.0044 118 ASN B O 4032 C CB . ASN B 90 ? 0.3024 0.3334 0.5270 -0.0662 0.0034 -0.0243 118 ASN B CB 4033 C CG . ASN B 90 ? 0.3163 0.3331 0.5255 -0.0752 0.0097 -0.0294 118 ASN B CG 4034 O OD1 . ASN B 90 ? 0.3245 0.3360 0.5297 -0.0859 0.0093 -0.0297 118 ASN B OD1 4035 N ND2 . ASN B 90 ? 0.3211 0.3311 0.5193 -0.0730 0.0149 -0.0329 118 ASN B ND2 4036 N N . LEU B 91 ? 0.3079 0.3631 0.5145 -0.0764 -0.0115 0.0009 119 LEU B N 4037 C CA . LEU B 91 ? 0.3134 0.3723 0.5117 -0.0784 -0.0159 0.0074 119 LEU B CA 4038 C C . LEU B 91 ? 0.3287 0.3710 0.5118 -0.0883 -0.0150 0.0068 119 LEU B C 4039 O O . LEU B 91 ? 0.3369 0.3781 0.5119 -0.0919 -0.0215 0.0133 119 LEU B O 4040 C CB . LEU B 91 ? 0.3083 0.3819 0.5114 -0.0789 -0.0210 0.0131 119 LEU B CB 4041 C CG . LEU B 91 ? 0.2993 0.3864 0.5115 -0.0755 -0.0206 0.0125 119 LEU B CG 4042 C CD1 . LEU B 91 ? 0.2991 0.3977 0.5117 -0.0797 -0.0238 0.0156 119 LEU B CD1 4043 C CD2 . LEU B 91 ? 0.2934 0.3880 0.5137 -0.0694 -0.0180 0.0097 119 LEU B CD2 4044 N N . ARG B 92 ? 0.3343 0.3627 0.5151 -0.0950 -0.0073 -0.0022 120 ARG B N 4045 C CA . ARG B 92 ? 0.3510 0.3634 0.5171 -0.1101 -0.0032 -0.0058 120 ARG B CA 4046 C C . ARG B 92 ? 0.3703 0.3626 0.5152 -0.1176 0.0002 -0.0101 120 ARG B C 4047 O O . ARG B 92 ? 0.3687 0.3547 0.5170 -0.1142 0.0072 -0.0196 120 ARG B O 4048 C CB . ARG B 92 ? 0.3473 0.3562 0.5288 -0.1172 0.0049 -0.0175 120 ARG B CB 4049 C CG . ARG B 92 ? 0.4832 0.4747 0.6527 -0.1373 0.0147 -0.0275 120 ARG B CG 4050 C CD . ARG B 92 ? 0.6114 0.6049 0.8087 -0.1452 0.0219 -0.0408 120 ARG B CD 4051 N NE . ARG B 92 ? 0.5744 0.5865 0.7868 -0.1388 0.0130 -0.0304 120 ARG B NE 4052 C CZ . ARG B 92 ? 0.5974 0.6148 0.8042 -0.1476 0.0130 -0.0250 120 ARG B CZ 4053 N NH1 . ARG B 92 ? 0.6621 0.6665 0.8475 -0.1649 0.0208 -0.0286 120 ARG B NH1 4054 N NH2 . ARG B 92 ? 0.5083 0.5424 0.7279 -0.1408 0.0052 -0.0160 120 ARG B NH2 4055 N N . TRP B 93 ? 0.3908 0.3707 0.5126 -0.1288 -0.0059 -0.0030 121 TRP B N 4056 C CA . TRP B 93 ? 0.4172 0.3724 0.5114 -0.1408 -0.0059 -0.0053 121 TRP B CA 4057 C C . TRP B 93 ? 0.4448 0.3786 0.5125 -0.1656 -0.0018 -0.0081 121 TRP B C 4058 O O . TRP B 93 ? 0.4402 0.3820 0.5137 -0.1706 -0.0008 -0.0059 121 TRP B O 4059 C CB . TRP B 93 ? 0.4233 0.3781 0.5122 -0.1336 -0.0228 0.0078 121 TRP B CB 4060 C CG . TRP B 93 ? 0.3953 0.3742 0.5132 -0.1125 -0.0240 0.0084 121 TRP B CG 4061 C CD1 . TRP B 93 ? 0.3734 0.3772 0.5158 -0.1001 -0.0287 0.0136 121 TRP B CD1 4062 C CD2 . TRP B 93 ? 0.3870 0.3675 0.5115 -0.1036 -0.0180 0.0018 121 TRP B CD2 4063 N NE1 . TRP B 93 ? 0.3540 0.3741 0.5164 -0.0865 -0.0258 0.0107 121 TRP B NE1 4064 C CE2 . TRP B 93 ? 0.3601 0.3675 0.5133 -0.0869 -0.0196 0.0042 121 TRP B CE2 4065 C CE3 . TRP B 93 ? 0.4011 0.3620 0.5085 -0.1095 -0.0104 -0.0069 121 TRP B CE3 4066 C CZ2 . TRP B 93 ? 0.3451 0.3623 0.5120 -0.0752 -0.0142 -0.0006 121 TRP B CZ2 4067 C CZ3 . TRP B 93 ? 0.3843 0.3552 0.5066 -0.0955 -0.0052 -0.0119 121 TRP B CZ3 4068 C CH2 . TRP B 93 ? 0.3558 0.3554 0.5082 -0.0782 -0.0073 -0.0081 121 TRP B CH2 4069 N N . HIS B 94 ? 0.4751 0.3809 0.5119 -0.1832 0.0016 -0.0139 122 HIS B N 4070 C CA . HIS B 94 ? 0.5097 0.3894 0.5131 -0.2132 0.0074 -0.0187 122 HIS B CA 4071 C C . HIS B 94 ? 0.5691 0.4200 0.5321 -0.2267 -0.0085 -0.0072 122 HIS B C 4072 O O . HIS B 94 ? 0.6894 0.5293 0.6433 -0.2233 -0.0105 -0.0093 122 HIS B O 4073 C CB . HIS B 94 ? 0.5543 0.4223 0.5585 -0.2290 0.0310 -0.0436 122 HIS B CB 4074 C CG . HIS B 94 ? 0.5456 0.4387 0.5958 -0.2154 0.0419 -0.0553 122 HIS B CG 4075 N ND1 . HIS B 94 ? 0.4593 0.3659 0.5393 -0.1938 0.0445 -0.0619 122 HIS B ND1 4076 C CD2 . HIS B 94 ? 0.4845 0.3907 0.5572 -0.2208 0.0482 -0.0604 122 HIS B CD2 4077 C CE1 . HIS B 94 ? 0.4462 0.3694 0.5634 -0.1877 0.0497 -0.0702 122 HIS B CE1 4078 N NE2 . HIS B 94 ? 0.4475 0.3719 0.5628 -0.2035 0.0522 -0.0698 122 HIS B NE2 4079 N N . CYS B 95 ? 0.5718 0.4094 0.5114 -0.2421 -0.0215 0.0055 123 CYS B N 4080 C CA . CYS B 95 ? 0.6252 0.4361 0.5334 -0.2515 -0.0455 0.0212 123 CYS B CA 4081 C C . CYS B 95 ? 0.7396 0.5096 0.5988 -0.2813 -0.0407 0.0133 123 CYS B C 4082 O O . CYS B 95 ? 0.8098 0.5553 0.6440 -0.2875 -0.0618 0.0251 123 CYS B O 4083 C CB . CYS B 95 ? 0.6838 0.4885 0.5808 -0.2607 -0.0627 0.0367 123 CYS B CB 4084 S SG . CYS B 95 ? 0.8084 0.5884 0.6641 -0.3009 -0.0475 0.0293 123 CYS B SG 4085 N N . ARG B 96 ? 0.6907 0.4513 0.5370 -0.3019 -0.0140 -0.0079 124 ARG B N 4086 C CA . ARG B 96 ? 0.7023 0.4384 0.5083 -0.3147 -0.0050 -0.0186 124 ARG B CA 4087 C C . ARG B 96 ? 0.6943 0.4247 0.5059 -0.3058 -0.0033 -0.0251 124 ARG B C 4088 O O . ARG B 96 ? 0.7297 0.4348 0.5044 -0.3147 -0.0107 -0.0225 124 ARG B O 4089 C CB . ARG B 96 ? 0.8546 0.6003 0.6615 -0.3199 0.0242 -0.0412 124 ARG B CB 4090 C CG . ARG B 96 ? 1.1931 0.9377 0.9801 -0.3339 0.0250 -0.0372 124 ARG B CG 4091 C CD . ARG B 96 ? 1.5392 1.2502 1.2644 -0.3553 0.0113 -0.0262 124 ARG B CD 4092 N NE . ARG B 96 ? 1.7570 1.4664 1.4585 -0.3711 0.0199 -0.0293 124 ARG B NE 4093 C CZ . ARG B 96 ? 1.9802 1.6616 1.6251 -0.3926 0.0090 -0.0199 124 ARG B CZ 4094 N NH1 . ARG B 96 ? 2.0933 1.7451 1.7010 -0.4000 -0.0133 -0.0058 124 ARG B NH1 4095 N NH2 . ARG B 96 ? 2.0719 1.7544 1.6974 -0.4067 0.0189 -0.0243 124 ARG B NH2 4096 N N . THR B 97 ? 0.6757 0.4336 0.5339 -0.2840 0.0077 -0.0343 125 THR B N 4097 C CA . THR B 97 ? 0.6378 0.4006 0.5096 -0.2669 0.0150 -0.0440 125 THR B CA 4098 C C . THR B 97 ? 0.6499 0.4376 0.5514 -0.2337 -0.0053 -0.0257 125 THR B C 4099 O O . THR B 97 ? 0.6543 0.4478 0.5674 -0.2186 -0.0008 -0.0316 125 THR B O 4100 C CB . THR B 97 ? 0.6304 0.4119 0.5385 -0.2580 0.0419 -0.0686 125 THR B CB 4101 O OG1 . THR B 97 ? 0.5546 0.3745 0.5110 -0.2308 0.0379 -0.0611 125 THR B OG1 4102 C CG2 . THR B 97 ? 0.6302 0.4057 0.5238 -0.2737 0.0598 -0.0847 125 THR B CG2 4103 N N . LEU B 98 ? 0.5974 0.3988 0.5121 -0.2240 -0.0267 -0.0058 126 LEU B N 4104 C CA . LEU B 98 ? 0.5589 0.3899 0.5132 -0.1936 -0.0418 0.0064 126 LEU B CA 4105 C C . LEU B 98 ? 0.5727 0.3903 0.5178 -0.1909 -0.0556 0.0119 126 LEU B C 4106 O O . LEU B 98 ? 0.5406 0.3825 0.5184 -0.1675 -0.0531 0.0097 126 LEU B O 4107 C CB . LEU B 98 ? 0.5544 0.3968 0.5227 -0.1891 -0.0615 0.0229 126 LEU B CB 4108 C CG . LEU B 98 ? 0.5241 0.3950 0.5354 -0.1633 -0.0776 0.0328 126 LEU B CG 4109 C CD1 . LEU B 98 ? 0.4775 0.3858 0.5286 -0.1395 -0.0600 0.0234 126 LEU B CD1 4110 C CD2 . LEU B 98 ? 0.5299 0.4025 0.5494 -0.1646 -0.0978 0.0461 126 LEU B CD2 4111 N N . GLY B 99 ? 0.6478 0.4260 0.5483 -0.2161 -0.0718 0.0197 127 GLY B N 4112 C CA . GLY B 99 ? 0.6750 0.4367 0.5648 -0.2162 -0.0869 0.0251 127 GLY B CA 4113 C C . GLY B 99 ? 0.6977 0.4655 0.5909 -0.2071 -0.0632 0.0076 127 GLY B C 4114 O O . GLY B 99 ? 0.5959 0.3842 0.5198 -0.1848 -0.0670 0.0092 127 GLY B O 4115 N N . ASP B 100 ? 0.7696 0.5212 0.6362 -0.2243 -0.0370 -0.0116 128 ASP B N 4116 C CA . ASP B 100 ? 0.6226 0.3770 0.4937 -0.2168 -0.0128 -0.0319 128 ASP B CA 4117 C C . ASP B 100 ? 0.5629 0.3637 0.4928 -0.1805 -0.0040 -0.0349 128 ASP B C 4118 O O . ASP B 100 ? 0.5426 0.3557 0.4896 -0.1627 0.0000 -0.0386 128 ASP B O 4119 C CB . ASP B 100 ? 0.7321 0.4639 0.5762 -0.2424 0.0145 -0.0561 128 ASP B CB 4120 C CG . ASP B 100 ? 0.9850 0.6693 0.7652 -0.2834 0.0093 -0.0554 128 ASP B CG 4121 O OD1 . ASP B 100 ? 0.8440 0.5046 0.5916 -0.2913 -0.0084 -0.0443 128 ASP B OD1 4122 O OD2 . ASP B 100 ? 1.2122 0.9008 0.9846 -0.2924 0.0215 -0.0619 128 ASP B OD2 4123 N N . GLN B 101 ? 0.6132 0.4391 0.5723 -0.1707 -0.0013 -0.0328 129 GLN B N 4124 C CA . GLN B 101 ? 0.4868 0.3515 0.4947 -0.1417 0.0073 -0.0364 129 GLN B CA 4125 C C . GLN B 101 ? 0.4622 0.3531 0.4999 -0.1200 -0.0095 -0.0213 129 GLN B C 4126 O O . GLN B 101 ? 0.4304 0.3449 0.4972 -0.0996 -0.0013 -0.0261 129 GLN B O 4127 C CB . GLN B 101 ? 0.4712 0.3513 0.4976 -0.1410 0.0124 -0.0376 129 GLN B CB 4128 C CG . GLN B 101 ? 0.4691 0.3418 0.4993 -0.1482 0.0358 -0.0607 129 GLN B CG 4129 C CD . GLN B 101 ? 0.4607 0.3428 0.5067 -0.1534 0.0395 -0.0631 129 GLN B CD 4130 O OE1 . GLN B 101 ? 0.4480 0.3485 0.5067 -0.1459 0.0267 -0.0474 129 GLN B OE1 4131 N NE2 . GLN B 101 ? 0.4678 0.3371 0.5162 -0.1671 0.0576 -0.0848 129 GLN B NE2 4132 N N . LEU B 102 ? 0.4778 0.3638 0.5112 -0.1255 -0.0330 -0.0046 130 LEU B N 4133 C CA . LEU B 102 ? 0.4571 0.3659 0.5249 -0.1081 -0.0492 0.0058 130 LEU B CA 4134 C C . LEU B 102 ? 0.4574 0.3612 0.5230 -0.1029 -0.0471 0.0014 130 LEU B C 4135 O O . LEU B 102 ? 0.4225 0.3568 0.5260 -0.0825 -0.0431 -0.0005 130 LEU B O 4136 C CB . LEU B 102 ? 0.4799 0.3772 0.5454 -0.1177 -0.0778 0.0219 130 LEU B CB 4137 C CG . LEU B 102 ? 0.4698 0.3814 0.5500 -0.1166 -0.0811 0.0268 130 LEU B CG 4138 C CD1 . LEU B 102 ? 0.4980 0.3913 0.5725 -0.1281 -0.1104 0.0413 130 LEU B CD1 4139 C CD2 . LEU B 102 ? 0.4237 0.3785 0.5536 -0.0940 -0.0732 0.0234 130 LEU B CD2 4140 N N . SER B 103 ? 0.5589 0.4238 0.5786 -0.1232 -0.0491 -0.0008 131 SER B N 4141 C CA . SER B 103 ? 0.5305 0.3876 0.5436 -0.1196 -0.0467 -0.0056 131 SER B CA 4142 C C . SER B 103 ? 0.4654 0.3451 0.4990 -0.1011 -0.0184 -0.0227 131 SER B C 4143 O O . SER B 103 ? 0.4365 0.3399 0.5000 -0.0820 -0.0161 -0.0235 131 SER B O 4144 C CB . SER B 103 ? 0.5895 0.3954 0.5404 -0.1499 -0.0502 -0.0079 131 SER B CB 4145 O OG . SER B 103 ? 0.7750 0.5562 0.7072 -0.1663 -0.0828 0.0108 131 SER B OG 4146 N N . LEU B 104 ? 0.5550 0.4291 0.5782 -0.1065 0.0021 -0.0367 132 LEU B N 4147 C CA . LEU B 104 ? 0.4398 0.3314 0.4854 -0.0898 0.0258 -0.0534 132 LEU B CA 4148 C C . LEU B 104 ? 0.3871 0.3224 0.4825 -0.0642 0.0239 -0.0465 132 LEU B C 4149 O O . LEU B 104 ? 0.3693 0.3240 0.4875 -0.0467 0.0322 -0.0511 132 LEU B O 4150 C CB . LEU B 104 ? 0.5227 0.3985 0.5556 -0.1030 0.0431 -0.0698 132 LEU B CB 4151 C CG . LEU B 104 ? 0.4396 0.3112 0.4805 -0.0976 0.0677 -0.0943 132 LEU B CG 4152 C CD1 . LEU B 104 ? 0.4511 0.3012 0.4662 -0.1023 0.0754 -0.1043 132 LEU B CD1 4153 C CD2 . LEU B 104 ? 0.4568 0.3092 0.4886 -0.1169 0.0805 -0.1111 132 LEU B CD2 4154 N N . LEU B 105 ? 0.3786 0.3295 0.4900 -0.0635 0.0140 -0.0362 133 LEU B N 4155 C CA . LEU B 105 ? 0.3399 0.3286 0.4928 -0.0445 0.0156 -0.0328 133 LEU B CA 4156 C C . LEU B 105 ? 0.3213 0.3342 0.5028 -0.0328 0.0054 -0.0246 133 LEU B C 4157 O O . LEU B 105 ? 0.2896 0.3321 0.5025 -0.0181 0.0132 -0.0271 133 LEU B O 4158 C CB . LEU B 105 ? 0.3385 0.3352 0.4981 -0.0490 0.0092 -0.0261 133 LEU B CB 4159 C CG . LEU B 105 ? 0.3518 0.3292 0.4931 -0.0599 0.0201 -0.0361 133 LEU B CG 4160 C CD1 . LEU B 105 ? 0.3538 0.3365 0.4980 -0.0664 0.0125 -0.0283 133 LEU B CD1 4161 C CD2 . LEU B 105 ? 0.3321 0.3157 0.4893 -0.0490 0.0364 -0.0501 133 LEU B CD2 4162 N N . LEU B 106 ? 0.3416 0.3424 0.5159 -0.0410 -0.0132 -0.0152 134 LEU B N 4163 C CA . LEU B 106 ? 0.3235 0.3471 0.5335 -0.0308 -0.0240 -0.0101 134 LEU B CA 4164 C C . LEU B 106 ? 0.3082 0.3381 0.5227 -0.0198 -0.0102 -0.0187 134 LEU B C 4165 O O . LEU B 106 ? 0.2899 0.3533 0.5443 -0.0055 -0.0057 -0.0205 134 LEU B O 4166 C CB . LEU B 106 ? 0.3552 0.3583 0.5580 -0.0432 -0.0514 0.0017 134 LEU B CB 4167 C CG . LEU B 106 ? 0.4473 0.4532 0.6628 -0.0496 -0.0687 0.0106 134 LEU B CG 4168 C CD1 . LEU B 106 ? 0.4891 0.4654 0.6916 -0.0642 -0.0988 0.0225 134 LEU B CD1 4169 C CD2 . LEU B 106 ? 0.3334 0.3827 0.6057 -0.0357 -0.0663 0.0078 134 LEU B CD2 4170 N N . GLY B 107 ? 0.3311 0.3302 0.5059 -0.0272 -0.0009 -0.0263 135 GLY B N 4171 C CA . GLY B 107 ? 0.3148 0.3193 0.4926 -0.0154 0.0164 -0.0376 135 GLY B CA 4172 C C . GLY B 107 ? 0.3160 0.3227 0.5036 -0.0127 0.0041 -0.0322 135 GLY B C 4173 O O . GLY B 107 ? 0.3424 0.3321 0.5213 -0.0250 -0.0194 -0.0209 135 GLY B O 4174 N N . ALA B 108 ? 0.2878 0.3144 0.4952 0.0033 0.0190 -0.0403 136 ALA B N 4175 C CA . ALA B 108 ? 0.2830 0.3170 0.5075 0.0079 0.0084 -0.0360 136 ALA B CA 4176 C C . ALA B 108 ? 0.2330 0.3124 0.5060 0.0298 0.0243 -0.0421 136 ALA B C 4177 O O . ALA B 108 ? 0.2148 0.3012 0.4845 0.0402 0.0477 -0.0537 136 ALA B O 4178 C CB . ALA B 108 ? 0.3187 0.3116 0.4937 -0.0033 0.0104 -0.0416 136 ALA B CB 4179 N N . ARG B 109 ? 0.2119 0.3213 0.5327 0.0353 0.0111 -0.0356 137 ARG B N 4180 C CA . ARG B 109 ? 0.1681 0.3177 0.5312 0.0530 0.0275 -0.0427 137 ARG B CA 4181 C C . ARG B 109 ? 0.1738 0.3086 0.5191 0.0578 0.0321 -0.0473 137 ARG B C 4182 O O . ARG B 109 ? 0.2133 0.3093 0.5204 0.0447 0.0169 -0.0427 137 ARG B O 4183 C CB . ARG B 109 ? 0.1551 0.3317 0.5535 0.0515 0.0144 -0.0361 137 ARG B CB 4184 C CG . ARG B 109 ? 0.1531 0.3412 0.5620 0.0454 0.0126 -0.0341 137 ARG B CG 4185 C CD . ARG B 109 ? 0.1545 0.3552 0.5818 0.0403 0.0016 -0.0314 137 ARG B CD 4186 N NE . ARG B 109 ? 0.1654 0.3592 0.6279 0.0360 -0.0253 -0.0263 137 ARG B NE 4187 C CZ . ARG B 109 ? 0.1697 0.3622 0.6399 0.0366 -0.0331 -0.0256 137 ARG B CZ 4188 N NH1 . ARG B 109 ? 0.1611 0.3625 0.6070 0.0411 -0.0148 -0.0298 137 ARG B NH1 4189 N NH2 . ARG B 109 ? 0.1862 0.3656 0.6864 0.0307 -0.0640 -0.0187 137 ARG B NH2 4190 N N . THR B 110 ? 0.1992 0.3420 0.5185 0.0657 0.0471 -0.0491 138 THR B N 4191 C CA . THR B 110 ? 0.2029 0.3346 0.5039 0.0698 0.0505 -0.0520 138 THR B CA 4192 C C . THR B 110 ? 0.2018 0.3432 0.5469 0.0686 0.0295 -0.0466 138 THR B C 4193 O O . THR B 110 ? 0.2155 0.3381 0.5619 0.0683 0.0232 -0.0500 138 THR B O 4194 C CB . THR B 110 ? 0.1953 0.3297 0.4431 0.0742 0.0584 -0.0454 138 THR B CB 4195 O OG1 . THR B 110 ? 0.2009 0.3184 0.4120 0.0752 0.0683 -0.0491 138 THR B OG1 4196 C CG2 . THR B 110 ? 0.1961 0.3248 0.4274 0.0781 0.0583 -0.0446 138 THR B CG2 4197 N N . SER B 111 ? 0.1577 0.3179 0.5271 0.0640 0.0150 -0.0379 139 SER B N 4198 C CA . SER B 111 ? 0.1641 0.3269 0.5743 0.0593 -0.0120 -0.0313 139 SER B CA 4199 C C . SER B 111 ? 0.1956 0.3276 0.6123 0.0485 -0.0425 -0.0240 139 SER B C 4200 O O . SER B 111 ? 0.2176 0.3309 0.6349 0.0414 -0.0675 -0.0164 139 SER B O 4201 C CB . SER B 111 ? 0.1641 0.3411 0.5923 0.0529 -0.0203 -0.0274 139 SER B CB 4202 O OG . SER B 111 ? 0.1553 0.3448 0.5579 0.0549 -0.0048 -0.0290 139 SER B OG 4203 N N . ASN B 112 ? 0.2255 0.3280 0.5953 0.0365 -0.0415 -0.0219 140 ASN B N 4204 C CA . ASN B 112 ? 0.2856 0.3333 0.6013 0.0134 -0.0680 -0.0109 140 ASN B CA 4205 C C . ASN B 112 ? 0.3227 0.3261 0.5714 0.0035 -0.0610 -0.0151 140 ASN B C 4206 O O . ASN B 112 ? 0.3744 0.3326 0.5824 -0.0177 -0.0870 -0.0052 140 ASN B O 4207 C CB . ASN B 112 ? 0.3047 0.3361 0.5912 0.0026 -0.0660 -0.0090 140 ASN B CB 4208 C CG . ASN B 112 ? 0.2760 0.3445 0.6213 0.0084 -0.0741 -0.0057 140 ASN B CG 4209 O OD1 . ASN B 112 ? 0.2525 0.3425 0.6052 0.0153 -0.0533 -0.0122 140 ASN B OD1 4210 N ND2 . ASN B 112 ? 0.2790 0.3541 0.6691 0.0043 -0.1053 0.0030 140 ASN B ND2 4211 N N . ILE B 113 ? 0.3020 0.3133 0.5345 0.0157 -0.0262 -0.0308 141 ILE B N 4212 C CA . ILE B 113 ? 0.3365 0.3058 0.5066 0.0056 -0.0145 -0.0400 141 ILE B CA 4213 C C . ILE B 113 ? 0.3139 0.2995 0.5038 0.0198 -0.0081 -0.0448 141 ILE B C 4214 O O . ILE B 113 ? 0.3384 0.2921 0.4790 0.0134 0.0058 -0.0558 141 ILE B O 4215 C CB . ILE B 113 ? 0.3375 0.2943 0.4717 0.0060 0.0190 -0.0580 141 ILE B CB 4216 C CG1 . ILE B 113 ? 0.2780 0.2816 0.4570 0.0345 0.0486 -0.0706 141 ILE B CG1 4217 C CG2 . ILE B 113 ? 0.3577 0.3011 0.4765 -0.0081 0.0119 -0.0528 141 ILE B CG2 4218 C CD1 . ILE B 113 ? 0.2785 0.2692 0.4320 0.0355 0.0770 -0.0886 141 ILE B CD1 4219 N N . SER B 114 ? 0.3000 0.3368 0.5627 0.0391 -0.0130 -0.0404 142 SER B N 4220 C CA . SER B 114 ? 0.2856 0.3376 0.5702 0.0508 -0.0110 -0.0432 142 SER B CA 4221 C C . SER B 114 ? 0.2828 0.3616 0.6335 0.0521 -0.0439 -0.0294 142 SER B C 4222 O O . SER B 114 ? 0.2266 0.3570 0.6387 0.0684 -0.0341 -0.0323 142 SER B O 4223 C CB . SER B 114 ? 0.2217 0.3170 0.5369 0.0765 0.0265 -0.0587 142 SER B CB 4224 O OG . SER B 114 ? 0.2101 0.3164 0.5216 0.0818 0.0278 -0.0560 142 SER B OG 4225 N N . LYS B 115 ? 0.2881 0.3257 0.6142 0.0319 -0.0803 -0.0160 143 LYS B N 4226 C CA . LYS B 115 ? 0.2825 0.3370 0.6734 0.0296 -0.1185 -0.0029 143 LYS B CA 4227 C C . LYS B 115 ? 0.3154 0.3524 0.7036 0.0256 -0.1389 0.0025 143 LYS B C 4228 O O . LYS B 115 ? 0.3482 0.3482 0.6676 0.0186 -0.1263 -0.0022 143 LYS B O 4229 C CB . LYS B 115 ? 0.3435 0.3625 0.7165 0.0072 -0.1534 0.0115 143 LYS B CB 4230 C CG . LYS B 115 ? 0.5831 0.5282 0.8665 -0.0221 -0.1756 0.0218 143 LYS B CG 4231 C CD . LYS B 115 ? 0.6889 0.6053 0.9575 -0.0418 -0.2044 0.0347 143 LYS B CD 4232 C CE . LYS B 115 ? 0.7268 0.6718 1.0052 -0.0315 -0.1751 0.0256 143 LYS B CE 4233 N NZ . LYS B 115 ? 0.9420 0.8475 1.1764 -0.0537 -0.1927 0.0353 143 LYS B NZ 4234 N N . PRO B 116 ? 0.2773 0.3428 0.7440 0.0305 -0.1679 0.0095 144 PRO B N 4235 C CA . PRO B 116 ? 0.2991 0.3502 0.7702 0.0274 -0.1901 0.0153 144 PRO B CA 4236 C C . PRO B 116 ? 0.4067 0.3776 0.7926 -0.0045 -0.2264 0.0307 144 PRO B C 4237 O O . PRO B 116 ? 0.4579 0.3941 0.8200 -0.0244 -0.2537 0.0424 144 PRO B O 4238 C CB . PRO B 116 ? 0.3091 0.3726 0.8170 0.0262 -0.1895 0.0150 144 PRO B CB 4239 C CG . PRO B 116 ? 0.2570 0.3552 0.7706 0.0353 -0.1504 0.0027 144 PRO B CG 4240 C CD . PRO B 116 ? 0.2598 0.3517 0.7631 0.0331 -0.1570 0.0060 144 PRO B CD 4241 N N . GLY B 117 ? 0.4499 0.3903 0.7871 -0.0108 -0.2257 0.0302 145 GLY B N 4242 C CA . GLY B 117 ? 0.6548 0.5188 0.9149 -0.0444 -0.2642 0.0454 145 GLY B CA 4243 C C . GLY B 117 ? 0.9130 0.7159 1.0560 -0.0689 -0.2438 0.0398 145 GLY B C 4244 O O . GLY B 117 ? 1.2110 0.9464 1.2758 -0.1006 -0.2682 0.0488 145 GLY B O 4245 N N . THR B 118 ? 0.9562 0.7797 1.0862 -0.0574 -0.2004 0.0242 146 THR B N 4246 C CA . THR B 118 ? 1.0001 0.7723 1.0347 -0.0811 -0.1803 0.0161 146 THR B CA 4247 C C . THR B 118 ? 0.9954 0.7543 0.9747 -0.0787 -0.1363 -0.0067 146 THR B C 4248 O O . THR B 118 ? 0.9489 0.6782 0.8657 -0.0928 -0.1091 -0.0209 146 THR B O 4249 C CB . THR B 118 ? 0.8758 0.6746 0.9319 -0.0722 -0.1625 0.0119 146 THR B CB 4250 O OG1 . THR B 118 ? 0.7451 0.6163 0.8790 -0.0349 -0.1313 -0.0001 146 THR B OG1 4251 C CG2 . THR B 118 ? 0.8202 0.6083 0.9013 -0.0862 -0.2082 0.0332 146 THR B CG2 4252 N N . LEU B 119 ? 0.9530 0.7362 0.9604 -0.0600 -0.1269 -0.0127 147 LEU B N 4253 C CA . LEU B 119 ? 1.0112 0.7819 0.9700 -0.0562 -0.0850 -0.0363 147 LEU B CA 4254 C C . LEU B 119 ? 1.2780 0.9675 1.1232 -0.0981 -0.0825 -0.0439 147 LEU B C 4255 O O . LEU B 119 ? 1.1924 0.8678 0.9935 -0.0989 -0.0404 -0.0700 147 LEU B O 4256 C CB . LEU B 119 ? 0.9547 0.7495 0.9498 -0.0384 -0.0879 -0.0362 147 LEU B CB 4257 C CG . LEU B 119 ? 1.0635 0.8260 1.0533 -0.0586 -0.1400 -0.0140 147 LEU B CG 4258 C CD1 . LEU B 119 ? 1.0689 0.8436 1.0664 -0.0444 -0.1274 -0.0227 147 LEU B CD1 4259 C CD2 . LEU B 119 ? 0.9581 0.7555 1.0373 -0.0507 -0.1847 0.0089 147 LEU B CD2 4260 N N . GLU B 120 ? 1.0887 0.7231 0.8867 -0.1348 -0.1266 -0.0234 148 GLU B N 4261 C CA . GLU B 120 ? 1.3030 0.8599 0.9910 -0.1805 -0.1235 -0.0308 148 GLU B CA 4262 C C . GLU B 120 ? 1.2225 0.7795 0.8938 -0.1857 -0.0953 -0.0444 148 GLU B C 4263 O O . GLU B 120 ? 1.2086 0.7365 0.8210 -0.2013 -0.0576 -0.0706 148 GLU B O 4264 C CB . GLU B 120 ? 1.5863 1.0828 1.2285 -0.2203 -0.1823 -0.0026 148 GLU B CB 4265 C CG . GLU B 120 ? 1.6617 1.1535 1.3233 -0.2316 -0.2193 0.0202 148 GLU B CG 4266 C CD . GLU B 120 ? 1.6046 1.1467 1.3702 -0.2038 -0.2584 0.0424 148 GLU B CD 4267 O OE1 . GLU B 120 ? 1.5952 1.1543 1.4003 -0.2000 -0.2761 0.0541 148 GLU B OE1 4268 O OE2 . GLU B 120 ? 1.5808 1.1455 1.3911 -0.1867 -0.2706 0.0464 148 GLU B OE2 4269 N N . ARG B 121 ? 1.1727 0.7637 0.9000 -0.1726 -0.1121 -0.0290 149 ARG B N 4270 C CA . ARG B 121 ? 1.0895 0.6858 0.8107 -0.1752 -0.0903 -0.0384 149 ARG B CA 4271 C C . ARG B 121 ? 0.8989 0.5370 0.6914 -0.1578 -0.1153 -0.0181 149 ARG B C 4272 O O . ARG B 121 ? 0.9959 0.6322 0.8162 -0.1615 -0.1600 0.0058 149 ARG B O 4273 C CB . ARG B 121 ? 1.4045 0.9246 1.0249 -0.2265 -0.0955 -0.0414 149 ARG B CB 4274 C CG . ARG B 121 ? 1.4514 0.9726 1.0368 -0.2297 -0.0436 -0.0697 149 ARG B CG 4275 C CD . ARG B 121 ? 1.6342 1.1348 1.1611 -0.2457 -0.0271 -0.0740 149 ARG B CD 4276 N NE . ARG B 121 ? 1.5600 1.0840 1.1099 -0.2216 -0.0005 -0.0917 149 ARG B NE 4277 C CZ . ARG B 121 ? 1.4433 0.9987 1.0107 -0.2050 0.0439 -0.1124 149 ARG B CZ 4278 N NH1 . ARG B 121 ? 1.2663 0.8501 0.8640 -0.1800 0.0630 -0.1232 149 ARG B NH1 4279 N NH2 . ARG B 121 ? 1.4755 1.0385 1.0393 -0.2126 0.0653 -0.1188 149 ARG B NH2 4280 N N . GLY B 122 ? 1.1002 0.7727 0.9227 -0.1410 -0.0889 -0.0282 150 GLY B N 4281 C CA . GLY B 122 ? 1.1031 0.8041 0.9759 -0.1324 -0.1093 -0.0120 150 GLY B CA 4282 C C . GLY B 122 ? 1.2627 0.9229 1.0797 -0.1628 -0.1120 -0.0108 150 GLY B C 4283 O O . GLY B 122 ? 1.2378 0.8739 1.0039 -0.1772 -0.0801 -0.0310 150 GLY B O 4284 N N . ASP B 123 ? 1.1347 0.7925 0.9702 -0.1706 -0.1476 0.0105 151 ASP B N 4285 C CA . ASP B 123 ? 1.2966 0.9121 1.0750 -0.2026 -0.1535 0.0138 151 ASP B CA 4286 C C . ASP B 123 ? 1.3104 0.9500 1.1387 -0.1942 -0.1793 0.0314 151 ASP B C 4287 O O . ASP B 123 ? 1.3643 1.0376 1.2612 -0.1736 -0.2045 0.0444 151 ASP B O 4288 C CB . ASP B 123 ? 1.4867 1.0263 1.1773 -0.2487 -0.1800 0.0229 151 ASP B CB 4289 C CG . ASP B 123 ? 1.4959 1.0202 1.1787 -0.2498 -0.1963 0.0273 151 ASP B CG 4290 O OD1 . ASP B 123 ? 1.4191 0.9830 1.1749 -0.2222 -0.2175 0.0391 151 ASP B OD1 4291 O OD2 . ASP B 123 ? 1.5720 1.0590 1.1832 -0.2717 -0.1824 0.0184 151 ASP B OD2 4292 N N . GLN B 124 ? 1.4104 1.0323 1.2052 -0.2116 -0.1711 0.0293 152 GLN B N 4293 C CA . GLN B 124 ? 1.3561 0.9836 1.1756 -0.2140 -0.1978 0.0461 152 GLN B CA 4294 C C . GLN B 124 ? 1.2835 0.8600 1.0263 -0.2523 -0.1955 0.0454 152 GLN B C 4295 O O . GLN B 124 ? 1.1121 0.6421 0.7817 -0.2822 -0.1828 0.0351 152 GLN B O 4296 C CB . GLN B 124 ? 1.2377 0.9307 1.1337 -0.1779 -0.1782 0.0401 152 GLN B CB 4297 C CG . GLN B 124 ? 1.1897 0.9333 1.1721 -0.1465 -0.1926 0.0463 152 GLN B CG 4298 C CD . GLN B 124 ? 1.0936 0.8984 1.1407 -0.1159 -0.1673 0.0369 152 GLN B CD 4299 O OE1 . GLN B 124 ? 1.0819 0.8899 1.1130 -0.1176 -0.1467 0.0301 152 GLN B OE1 4300 N NE2 . GLN B 124 ? 1.0104 0.8631 1.1305 -0.0900 -0.1688 0.0359 152 GLN B NE2 4301 N N . GLY B 128 ? 0.9447 0.4917 0.6218 -0.3035 -0.1928 0.0571 156 GLY B N 4302 C CA . GLY B 128 ? 0.9076 0.5056 0.6476 -0.2738 -0.1705 0.0472 156 GLY B CA 4303 C C . GLY B 128 ? 1.0315 0.6382 0.7793 -0.2774 -0.1716 0.0523 156 GLY B C 4304 O O . GLY B 128 ? 0.9923 0.6465 0.8002 -0.2476 -0.1655 0.0521 156 GLY B O 4305 N N . GLN B 129 ? 0.9899 0.5575 0.6770 -0.3097 -0.1767 0.0564 157 GLN B N 4306 C CA . GLN B 129 ? 1.0442 0.6178 0.7304 -0.3158 -0.1753 0.0605 157 GLN B CA 4307 C C . GLN B 129 ? 1.0067 0.5953 0.7459 -0.3015 -0.2104 0.0800 157 GLN B C 4308 O O . GLN B 129 ? 1.0894 0.6695 0.8452 -0.2966 -0.2460 0.0958 157 GLN B O 4309 C CB . GLN B 129 ? 1.2716 0.8124 0.8870 -0.3428 -0.1774 0.0648 157 GLN B CB 4310 C CG . GLN B 129 ? 1.4157 0.9629 1.0182 -0.3528 -0.1608 0.0602 157 GLN B CG 4311 C CD . GLN B 129 ? 1.3817 0.9472 0.9854 -0.3527 -0.1138 0.0325 157 GLN B CD 4312 O OE1 . GLN B 129 ? 1.3735 0.9330 0.9569 -0.3562 -0.0916 0.0162 157 GLN B OE1 4313 N NE2 . GLN B 129 ? 1.2933 0.8825 0.9252 -0.3474 -0.0993 0.0267 157 GLN B NE2 4314 N N . TRP B 130 ? 0.8722 0.4943 0.6442 -0.2869 -0.1967 0.0770 158 TRP B N 4315 C CA . TRP B 130 ? 0.8335 0.4844 0.6625 -0.2645 -0.2196 0.0898 158 TRP B CA 4316 C C . TRP B 130 ? 0.8624 0.4880 0.6638 -0.2867 -0.2367 0.1016 158 TRP B C 4317 O O . TRP B 130 ? 0.8810 0.4893 0.6348 -0.3092 -0.2166 0.0950 158 TRP B O 4318 C CB . TRP B 130 ? 0.7456 0.4555 0.6355 -0.2299 -0.1927 0.0779 158 TRP B CB 4319 C CG . TRP B 130 ? 0.7087 0.4499 0.6310 -0.2059 -0.1726 0.0656 158 TRP B CG 4320 C CD1 . TRP B 130 ? 0.7181 0.4511 0.6128 -0.2108 -0.1467 0.0510 158 TRP B CD1 4321 C CD2 . TRP B 130 ? 0.6552 0.4427 0.6462 -0.1739 -0.1739 0.0644 158 TRP B CD2 4322 N NE1 . TRP B 130 ? 0.6731 0.4443 0.6146 -0.1818 -0.1339 0.0431 158 TRP B NE1 4323 C CE2 . TRP B 130 ? 0.6351 0.4404 0.6347 -0.1603 -0.1497 0.0513 158 TRP B CE2 4324 C CE3 . TRP B 130 ? 0.6255 0.4403 0.6726 -0.1574 -0.1924 0.0711 158 TRP B CE3 4325 C CZ2 . TRP B 130 ? 0.5876 0.4371 0.6467 -0.1321 -0.1436 0.0467 158 TRP B CZ2 4326 C CZ3 . TRP B 130 ? 0.5796 0.4380 0.6866 -0.1313 -0.1847 0.0640 158 TRP B CZ3 4327 C CH2 . TRP B 130 ? 0.5615 0.4372 0.6728 -0.1195 -0.1607 0.0529 158 TRP B CH2 4328 N N . ARG B 131 ? 0.8438 0.4730 0.6821 -0.2770 -0.2713 0.1167 159 ARG B N 4329 C CA . ARG B 131 ? 0.8790 0.4838 0.6925 -0.2937 -0.2931 0.1301 159 ARG B CA 4330 C C . ARG B 131 ? 0.8353 0.4676 0.7195 -0.2710 -0.3148 0.1362 159 ARG B C 4331 O O . ARG B 131 ? 0.7899 0.4605 0.7382 -0.2415 -0.3147 0.1304 159 ARG B O 4332 C CB . ARG B 131 ? 0.9697 0.5328 0.7291 -0.3113 -0.3213 0.1444 159 ARG B CB 4333 C CG . ARG B 131 ? 1.0987 0.6367 0.7848 -0.3336 -0.2979 0.1358 159 ARG B CG 4334 C CD . ARG B 131 ? 1.3118 0.8333 0.9367 -0.3575 -0.2810 0.1333 159 ARG B CD 4335 N NE . ARG B 131 ? 1.3580 0.8805 0.9450 -0.3700 -0.2377 0.1121 159 ARG B NE 4336 C CZ . ARG B 131 ? 1.4757 0.9904 1.0164 -0.3899 -0.2150 0.1037 159 ARG B CZ 4337 N NH1 . ARG B 131 ? 1.4910 0.9945 1.0111 -0.4010 -0.2316 0.1163 159 ARG B NH1 4338 N NH2 . ARG B 131 ? 1.5143 1.0340 1.0334 -0.3978 -0.1755 0.0814 159 ARG B NH2 4339 N N . ILE B 132 ? 0.8825 0.5040 0.7553 -0.2793 -0.3268 0.1448 160 ILE B N 4340 C CA . ILE B 132 ? 0.8364 0.4770 0.7735 -0.2609 -0.3510 0.1495 160 ILE B CA 4341 C C . ILE B 132 ? 1.0281 0.6516 0.9864 -0.2543 -0.3927 0.1615 160 ILE B C 4342 O O . ILE B 132 ? 1.1165 0.7014 1.0200 -0.2715 -0.4126 0.1748 160 ILE B O 4343 C CB . ILE B 132 ? 0.8501 0.4848 0.7664 -0.2693 -0.3498 0.1546 160 ILE B CB 4344 C CG1 . ILE B 132 ? 0.7897 0.4548 0.6976 -0.2659 -0.3043 0.1406 160 ILE B CG1 4345 C CG2 . ILE B 132 ? 0.8392 0.4882 0.8187 -0.2507 -0.3773 0.1586 160 ILE B CG2 4346 C CD1 . ILE B 132 ? 0.8023 0.4599 0.6873 -0.2790 -0.3008 0.1449 160 ILE B CD1 4347 N N . TYR B 133 ? 0.8031 0.4578 0.8429 -0.2298 -0.4051 0.1555 161 TYR B N 4348 C CA . TYR B 133 ? 0.9056 0.5489 0.9807 -0.2196 -0.4436 0.1649 161 TYR B CA 4349 C C . TYR B 133 ? 1.0810 0.6921 1.1340 -0.2275 -0.4739 0.1811 161 TYR B C 4350 O O . TYR B 133 ? 1.1077 0.7224 1.1512 -0.2309 -0.4649 0.1802 161 TYR B O 4351 C CB . TYR B 133 ? 0.7708 0.4612 0.9444 -0.1904 -0.4424 0.1500 161 TYR B CB 4352 C CG . TYR B 133 ? 0.9538 0.6381 1.1770 -0.1761 -0.4736 0.1549 161 TYR B CG 4353 C CD1 . TYR B 133 ? 1.0015 0.6803 1.2229 -0.1761 -0.4789 0.1570 161 TYR B CD1 4354 C CD2 . TYR B 133 ? 1.0632 0.7465 1.3393 -0.1615 -0.4952 0.1556 161 TYR B CD2 4355 C CE1 . TYR B 133 ? 1.1307 0.8025 1.4016 -0.1625 -0.5060 0.1614 161 TYR B CE1 4356 C CE2 . TYR B 133 ? 1.2232 0.8970 1.5495 -0.1480 -0.5209 0.1585 161 TYR B CE2 4357 C CZ . TYR B 133 ? 1.2638 0.9318 1.5879 -0.1486 -0.5263 0.1619 161 TYR B CZ 4358 O OH . TYR B 133 ? 1.4247 1.0809 1.8008 -0.1356 -0.5508 0.1645 161 TYR B OH 4359 N N . GLY B 134 ? 1.0135 0.5928 1.0589 -0.2304 -0.5114 0.1969 162 GLY B N 4360 C CA . GLY B 134 ? 1.1823 0.7241 1.1861 -0.2443 -0.5402 0.2150 162 GLY B CA 4361 C C . GLY B 134 ? 1.2515 0.7644 1.1536 -0.2761 -0.5258 0.2215 162 GLY B C 4362 O O . GLY B 134 ? 1.3401 0.8323 1.1907 -0.2919 -0.5244 0.2251 162 GLY B O 4363 N N . SER B 135 ? 1.2070 0.7208 1.0815 -0.2855 -0.5104 0.2202 163 SER B N 4364 C CA . SER B 135 ? 1.4452 0.9297 1.2282 -0.3161 -0.5012 0.2268 163 SER B CA 4365 C C . SER B 135 ? 1.4684 0.9411 1.1879 -0.3359 -0.4749 0.2203 163 SER B C 4366 O O . SER B 135 ? 1.6406 1.0824 1.2818 -0.3633 -0.4744 0.2262 163 SER B O 4367 C CB . SER B 135 ? 1.3918 0.8964 1.1722 -0.3176 -0.4711 0.2178 163 SER B CB 4368 O OG . SER B 135 ? 1.2422 0.7756 1.0285 -0.3145 -0.4264 0.1995 163 SER B OG 4369 N N . GLU B 136 ? 1.4249 0.9231 1.1775 -0.3228 -0.4507 0.2060 164 GLU B N 4370 C CA . GLU B 136 ? 1.3644 0.8547 1.0662 -0.3377 -0.4221 0.1962 164 GLU B CA 4371 C C . GLU B 136 ? 1.2256 0.7163 0.8723 -0.3572 -0.3813 0.1844 164 GLU B C 4372 O O . GLU B 136 ? 1.1912 0.6647 0.7775 -0.3773 -0.3607 0.1773 164 GLU B O 4373 C CB . GLU B 136 ? 1.6310 1.0822 1.2832 -0.3540 -0.4507 0.2095 164 GLU B CB 4374 C CG . GLU B 136 ? 1.6418 1.0951 1.2860 -0.3534 -0.4327 0.1991 164 GLU B CG 4375 C CD . GLU B 136 ? 1.5530 1.0352 1.2822 -0.3239 -0.4441 0.1963 164 GLU B CD 4376 O OE1 . GLU B 136 ? 1.6304 1.1234 1.4214 -0.3057 -0.4744 0.2049 164 GLU B OE1 4377 O OE2 . GLU B 136 ? 1.4264 0.9220 1.1638 -0.3183 -0.4213 0.1837 164 GLU B OE2 4378 N N . GLU B 137 ? 1.3862 0.8984 1.0578 -0.3506 -0.3687 0.1806 165 GLU B N 4379 C CA . GLU B 137 ? 1.2713 0.7973 0.9157 -0.3614 -0.3249 0.1652 165 GLU B CA 4380 C C . GLU B 137 ? 1.1031 0.6597 0.7813 -0.3479 -0.2895 0.1462 165 GLU B C 4381 O O . GLU B 137 ? 0.9657 0.5395 0.6979 -0.3274 -0.2984 0.1455 165 GLU B O 4382 C CB . GLU B 137 ? 1.3294 0.8704 0.9949 -0.3568 -0.3246 0.1682 165 GLU B CB 4383 C CG . GLU B 137 ? 1.5330 1.0451 1.1451 -0.3779 -0.3428 0.1808 165 GLU B CG 4384 C CD . GLU B 137 ? 1.6790 1.1795 1.2216 -0.4050 -0.3109 0.1697 165 GLU B CD 4385 O OE1 . GLU B 137 ? 1.5933 1.1148 1.1406 -0.4038 -0.2707 0.1501 165 GLU B OE1 4386 O OE2 . GLU B 137 ? 1.8368 1.3077 1.3225 -0.4275 -0.3264 0.1794 165 GLU B OE2 4387 N N . ASP B 138 ? 1.2992 0.8641 0.9487 -0.3594 -0.2490 0.1293 166 ASP B N 4388 C CA . ASP B 138 ? 1.1686 0.7614 0.8507 -0.3467 -0.2168 0.1110 166 ASP B CA 4389 C C . ASP B 138 ? 1.0292 0.6576 0.7733 -0.3268 -0.2117 0.1097 166 ASP B C 4390 O O . ASP B 138 ? 0.9133 0.5449 0.6733 -0.3232 -0.2296 0.1208 166 ASP B O 4391 C CB . ASP B 138 ? 1.2025 0.7938 0.8431 -0.3630 -0.1766 0.0907 166 ASP B CB 4392 C CG . ASP B 138 ? 1.1899 0.7980 0.8294 -0.3689 -0.1533 0.0824 166 ASP B CG 4393 O OD1 . ASP B 138 ? 1.2539 0.8685 0.9102 -0.3648 -0.1691 0.0946 166 ASP B OD1 4394 O OD2 . ASP B 138 ? 1.1827 0.7987 0.8079 -0.3769 -0.1185 0.0621 166 ASP B OD2 4395 N N . LEU B 139 ? 1.1871 0.8437 0.9663 -0.3130 -0.1868 0.0954 167 LEU B N 4396 C CA . LEU B 139 ? 0.9478 0.6559 0.7906 -0.2774 -0.1781 0.0921 167 LEU B CA 4397 C C . LEU B 139 ? 0.8354 0.5595 0.6779 -0.2817 -0.1576 0.0867 167 LEU B C 4398 O O . LEU B 139 ? 0.7486 0.5110 0.6373 -0.2560 -0.1521 0.0852 167 LEU B O 4399 C CB . LEU B 139 ? 0.7455 0.4887 0.6259 -0.2505 -0.1564 0.0783 167 LEU B CB 4400 C CG . LEU B 139 ? 0.7765 0.5115 0.6660 -0.2426 -0.1741 0.0823 167 LEU B CG 4401 C CD1 . LEU B 139 ? 0.7228 0.4883 0.6392 -0.2212 -0.1480 0.0671 167 LEU B CD1 4402 C CD2 . LEU B 139 ? 0.7978 0.5432 0.7320 -0.2256 -0.2071 0.0953 167 LEU B CD2 4403 N N . CYS B 140 ? 0.9230 0.6187 0.7151 -0.3154 -0.1456 0.0827 168 CYS B N 4404 C CA . CYS B 140 ? 0.8410 0.5498 0.6322 -0.3225 -0.1290 0.0787 168 CYS B CA 4405 C C . CYS B 140 ? 0.9580 0.6532 0.7351 -0.3282 -0.1540 0.0957 168 CYS B C 4406 O O . CYS B 140 ? 0.9126 0.6197 0.6877 -0.3326 -0.1413 0.0934 168 CYS B O 4407 C CB . CYS B 140 ? 0.7832 0.4889 0.5402 -0.3378 -0.0961 0.0595 168 CYS B CB 4408 S SG . CYS B 140 ? 1.0832 0.8097 0.8667 -0.3286 -0.0621 0.0343 168 CYS B SG 4409 N N . ALA B 141 ? 0.8880 0.5594 0.6593 -0.3272 -0.1901 0.1120 169 ALA B N 4410 C CA . ALA B 141 ? 1.0051 0.6570 0.7561 -0.3349 -0.2161 0.1273 169 ALA B CA 4411 C C . ALA B 141 ? 0.9040 0.5784 0.7010 -0.3201 -0.2242 0.1331 169 ALA B C 4412 O O . ALA B 141 ? 1.0230 0.6872 0.8028 -0.3273 -0.2354 0.1417 169 ALA B O 4413 C CB . ALA B 141 ? 1.0310 0.6518 0.7702 -0.3359 -0.2555 0.1423 169 ALA B CB 4414 N N . LEU B 142 ? 0.7559 0.4698 0.6110 -0.2909 -0.2151 0.1259 170 LEU B N 4415 C CA . LEU B 142 ? 0.7092 0.4563 0.6100 -0.2667 -0.2156 0.1259 170 LEU B CA 4416 C C . LEU B 142 ? 0.6575 0.4493 0.5841 -0.2493 -0.1782 0.1104 170 LEU B C 4417 O O . LEU B 142 ? 0.6145 0.4409 0.5881 -0.2208 -0.1724 0.1037 170 LEU B O 4418 C CB . LEU B 142 ? 0.6933 0.4500 0.6452 -0.2417 -0.2430 0.1297 170 LEU B CB 4419 C CG . LEU B 142 ? 0.8520 0.5645 0.7905 -0.2561 -0.2857 0.1445 170 LEU B CG 4420 C CD1 . LEU B 142 ? 0.9249 0.6547 0.9257 -0.2301 -0.3054 0.1413 170 LEU B CD1 4421 C CD2 . LEU B 142 ? 0.9004 0.5887 0.8226 -0.2702 -0.3071 0.1565 170 LEU B CD2 4422 N N . PRO B 143 ? 0.8063 0.5972 0.7045 -0.2681 -0.1532 0.1038 171 PRO B N 4423 C CA . PRO B 143 ? 0.6333 0.4632 0.5591 -0.2533 -0.1214 0.0891 171 PRO B CA 4424 C C . PRO B 143 ? 0.6042 0.4679 0.5697 -0.2299 -0.1202 0.0899 171 PRO B C 4425 O O . PRO B 143 ? 0.7246 0.5823 0.6967 -0.2259 -0.1411 0.0999 171 PRO B O 4426 C CB . PRO B 143 ? 0.6633 0.4794 0.5530 -0.2839 -0.0996 0.0813 171 PRO B CB 4427 C CG . PRO B 143 ? 0.8340 0.6165 0.6855 -0.3088 -0.1194 0.0953 171 PRO B CG 4428 C CD . PRO B 143 ? 0.8973 0.6533 0.7427 -0.3046 -0.1543 0.1091 171 PRO B CD 4429 N N . TYR B 144 ? 0.7254 0.6222 0.7168 -0.2160 -0.0967 0.0788 172 TYR B N 4430 C CA . TYR B 144 ? 0.6410 0.5693 0.6652 -0.1968 -0.0922 0.0779 172 TYR B CA 4431 C C . TYR B 144 ? 0.6078 0.5404 0.6203 -0.2111 -0.0785 0.0770 172 TYR B C 4432 O O . TYR B 144 ? 0.6110 0.5400 0.6091 -0.2288 -0.0602 0.0689 172 TYR B O 4433 C CB . TYR B 144 ? 0.5307 0.4895 0.5872 -0.1762 -0.0777 0.0679 172 TYR B CB 4434 C CG . TYR B 144 ? 0.4626 0.4512 0.5453 -0.1618 -0.0694 0.0653 172 TYR B CG 4435 C CD1 . TYR B 144 ? 0.4528 0.4528 0.5570 -0.1465 -0.0810 0.0681 172 TYR B CD1 4436 C CD2 . TYR B 144 ? 0.4198 0.4242 0.5083 -0.1650 -0.0502 0.0584 172 TYR B CD2 4437 C CE1 . TYR B 144 ? 0.4039 0.4291 0.5276 -0.1354 -0.0721 0.0645 172 TYR B CE1 4438 C CE2 . TYR B 144 ? 0.3890 0.4185 0.4989 -0.1534 -0.0443 0.0570 172 TYR B CE2 4439 C CZ . TYR B 144 ? 0.3801 0.4193 0.5039 -0.1391 -0.0546 0.0604 172 TYR B CZ 4440 O OH . TYR B 144 ? 0.3567 0.4186 0.4973 -0.1297 -0.0475 0.0577 172 TYR B OH 4441 N N . HIS B 145 ? 0.6196 0.5619 0.6432 -0.2034 -0.0859 0.0831 173 HIS B N 4442 C CA . HIS B 145 ? 0.5619 0.5132 0.5797 -0.2141 -0.0727 0.0826 173 HIS B CA 4443 C C . HIS B 145 ? 0.4616 0.4485 0.5151 -0.1911 -0.0647 0.0789 173 HIS B C 4444 O O . HIS B 145 ? 0.4476 0.4424 0.5212 -0.1721 -0.0771 0.0810 173 HIS B O 4445 C CB . HIS B 145 ? 0.6536 0.5777 0.6426 -0.2316 -0.0894 0.0945 173 HIS B CB 4446 C CG . HIS B 145 ? 0.9668 0.8501 0.9126 -0.2595 -0.0995 0.0994 173 HIS B CG 4447 N ND1 . HIS B 145 ? 1.1468 0.9994 1.0790 -0.2614 -0.1295 0.1107 173 HIS B ND1 4448 C CD2 . HIS B 145 ? 1.0436 0.9100 0.9570 -0.2887 -0.0838 0.0930 173 HIS B CD2 4449 C CE1 . HIS B 145 ? 1.2080 1.0247 1.0955 -0.2911 -0.1331 0.1134 173 HIS B CE1 4450 N NE2 . HIS B 145 ? 1.1481 0.9723 1.0221 -0.3089 -0.1040 0.1016 173 HIS B NE2 4451 N N . GLU B 146 ? 0.4967 0.5038 0.5598 -0.1949 -0.0440 0.0716 174 GLU B N 4452 C CA . GLU B 146 ? 0.4256 0.4630 0.5164 -0.1776 -0.0370 0.0693 174 GLU B CA 4453 C C . GLU B 146 ? 0.4387 0.4764 0.5266 -0.1753 -0.0451 0.0767 174 GLU B C 4454 O O . GLU B 146 ? 0.5191 0.5406 0.5842 -0.1936 -0.0470 0.0822 174 GLU B O 4455 C CB . GLU B 146 ? 0.4007 0.4563 0.5045 -0.1855 -0.0165 0.0606 174 GLU B CB 4456 C CG . GLU B 146 ? 0.4700 0.5244 0.5819 -0.1870 -0.0095 0.0515 174 GLU B CG 4457 C CD . GLU B 146 ? 0.5114 0.5912 0.6548 -0.1754 -0.0013 0.0450 174 GLU B CD 4458 O OE1 . GLU B 146 ? 0.5185 0.6128 0.6761 -0.1828 0.0095 0.0411 174 GLU B OE1 4459 O OE2 . GLU B 146 ? 0.5669 0.6515 0.7210 -0.1603 -0.0068 0.0442 174 GLU B OE2 4460 N N . VAL B 147 ? 0.4356 0.4912 0.5462 -0.1543 -0.0486 0.0752 175 VAL B N 4461 C CA . VAL B 147 ? 0.4431 0.5005 0.5582 -0.1472 -0.0567 0.0790 175 VAL B CA 4462 C C . VAL B 147 ? 0.3699 0.4578 0.5035 -0.1372 -0.0409 0.0737 175 VAL B C 4463 O O . VAL B 147 ? 0.3285 0.4323 0.4801 -0.1229 -0.0377 0.0672 175 VAL B O 4464 C CB . VAL B 147 ? 0.4707 0.5197 0.6005 -0.1326 -0.0754 0.0778 175 VAL B CB 4465 C CG1 . VAL B 147 ? 0.4847 0.5348 0.6252 -0.1245 -0.0836 0.0782 175 VAL B CG1 4466 C CG2 . VAL B 147 ? 0.5450 0.5632 0.6585 -0.1432 -0.0935 0.0840 175 VAL B CG2 4467 N N . TYR B 148 ? 0.3343 0.4296 0.4626 -0.1465 -0.0314 0.0764 176 TYR B N 4468 C CA . TYR B 148 ? 0.3033 0.4279 0.4502 -0.1382 -0.0169 0.0720 176 TYR B CA 4469 C C . TYR B 148 ? 0.2924 0.4252 0.4506 -0.1203 -0.0223 0.0701 176 TYR B C 4470 O O . TYR B 148 ? 0.3065 0.4251 0.4592 -0.1191 -0.0339 0.0737 176 TYR B O 4471 C CB . TYR B 148 ? 0.2992 0.4317 0.4418 -0.1548 -0.0035 0.0737 176 TYR B CB 4472 C CG . TYR B 148 ? 0.3411 0.4655 0.4773 -0.1748 0.0046 0.0702 176 TYR B CG 4473 C CD1 . TYR B 148 ? 0.3622 0.5041 0.5212 -0.1748 0.0162 0.0619 176 TYR B CD1 4474 C CD2 . TYR B 148 ? 0.5489 0.6446 0.6567 -0.1946 -0.0010 0.0740 176 TYR B CD2 4475 C CE1 . TYR B 148 ? 0.4629 0.5965 0.6219 -0.1930 0.0242 0.0547 176 TYR B CE1 4476 C CE2 . TYR B 148 ? 0.6189 0.7053 0.7200 -0.2149 0.0087 0.0672 176 TYR B CE2 4477 C CZ . TYR B 148 ? 0.5976 0.7041 0.7270 -0.2132 0.0223 0.0563 176 TYR B CZ 4478 O OH . TYR B 148 ? 0.6653 0.7582 0.7920 -0.2241 0.0321 0.0442 176 TYR B OH 4479 N N . THR B 149 ? 0.2780 0.4306 0.4520 -0.1081 -0.0152 0.0632 177 THR B N 4480 C CA . THR B 149 ? 0.3150 0.4749 0.4996 -0.0934 -0.0171 0.0570 177 THR B CA 4481 C C . THR B 149 ? 0.3716 0.5457 0.5586 -0.0915 -0.0086 0.0585 177 THR B C 4482 O O . THR B 149 ? 0.2698 0.4567 0.4560 -0.1002 0.0025 0.0627 177 THR B O 4483 C CB . THR B 149 ? 0.2501 0.4224 0.4438 -0.0856 -0.0120 0.0483 177 THR B CB 4484 O OG1 . THR B 149 ? 0.2359 0.4230 0.4310 -0.0911 -0.0020 0.0507 177 THR B OG1 4485 C CG2 . THR B 149 ? 0.3247 0.4838 0.5187 -0.0856 -0.0206 0.0452 177 THR B CG2 4486 N N . ILE B 150 ? 0.3388 0.5113 0.5331 -0.0802 -0.0132 0.0531 178 ILE B N 4487 C CA . ILE B 150 ? 0.2365 0.4210 0.4343 -0.0754 -0.0060 0.0530 178 ILE B CA 4488 C C . ILE B 150 ? 0.2183 0.4200 0.4280 -0.0627 0.0034 0.0405 178 ILE B C 4489 O O . ILE B 150 ? 0.2252 0.4199 0.4431 -0.0557 -0.0015 0.0288 178 ILE B O 4490 C CB . ILE B 150 ? 0.2541 0.4184 0.4510 -0.0739 -0.0207 0.0556 178 ILE B CB 4491 C CG1 . ILE B 150 ? 0.3088 0.4487 0.4861 -0.0910 -0.0331 0.0686 178 ILE B CG1 4492 C CG2 . ILE B 150 ? 0.2389 0.4158 0.4393 -0.0686 -0.0125 0.0556 178 ILE B CG2 4493 C CD1 . ILE B 150 ? 0.2825 0.4308 0.4440 -0.1082 -0.0201 0.0777 178 ILE B CD1 4494 N N . GLN B 151 ? 0.1923 0.4161 0.4035 -0.0618 0.0174 0.0415 179 GLN B N 4495 C CA . GLN B 151 ? 0.1781 0.4166 0.3943 -0.0532 0.0269 0.0306 179 GLN B CA 4496 C C . GLN B 151 ? 0.1876 0.4208 0.4001 -0.0561 0.0245 0.0244 179 GLN B C 4497 O O . GLN B 151 ? 0.1925 0.4225 0.4011 -0.0644 0.0208 0.0320 179 GLN B O 4498 C CB . GLN B 151 ? 0.1772 0.4127 0.4015 -0.0413 0.0272 0.0192 179 GLN B CB 4499 C CG . GLN B 151 ? 0.1685 0.4087 0.3940 -0.0399 0.0291 0.0276 179 GLN B CG 4500 C CD . GLN B 151 ? 0.1610 0.4034 0.3971 -0.0266 0.0326 0.0158 179 GLN B CD 4501 O OE1 . GLN B 151 ? 0.1618 0.4029 0.4056 -0.0191 0.0357 -0.0013 179 GLN B OE1 4502 N NE2 . GLN B 151 ? 0.1559 0.3998 0.3925 -0.0254 0.0324 0.0233 179 GLN B NE2 4503 N N . GLY B 152 ? 0.1941 0.4253 0.4076 -0.0514 0.0271 0.0096 180 GLY B N 4504 C CA . GLY B 152 ? 0.2045 0.4312 0.4099 -0.0590 0.0256 0.0068 180 GLY B CA 4505 C C . GLY B 152 ? 0.1952 0.4346 0.3916 -0.0651 0.0311 0.0127 180 GLY B C 4506 O O . GLY B 152 ? 0.1796 0.4334 0.3772 -0.0621 0.0386 0.0141 180 GLY B O 4507 N N . ASN B 153 ? 0.2046 0.4373 0.3926 -0.0738 0.0260 0.0144 181 ASN B N 4508 C CA . ASN B 153 ? 0.2013 0.4402 0.3835 -0.0816 0.0248 0.0215 181 ASN B CA 4509 C C . ASN B 153 ? 0.1992 0.4370 0.3906 -0.0873 0.0169 0.0335 181 ASN B C 4510 O O . ASN B 153 ? 0.2030 0.4395 0.3927 -0.0951 0.0107 0.0377 181 ASN B O 4511 C CB . ASN B 153 ? 0.2203 0.4498 0.3825 -0.0908 0.0242 0.0126 181 ASN B CB 4512 C CG . ASN B 153 ? 0.2400 0.4542 0.3960 -0.0962 0.0198 0.0067 181 ASN B CG 4513 O OD1 . ASN B 153 ? 0.3016 0.5117 0.4682 -0.0930 0.0145 0.0118 181 ASN B OD1 4514 N ND2 . ASN B 153 ? 0.3034 0.5086 0.4409 -0.1066 0.0228 -0.0052 181 ASN B ND2 4515 N N . SER B 154 ? 0.1991 0.4324 0.3983 -0.0856 0.0151 0.0373 182 SER B N 4516 C CA . SER B 154 ? 0.2013 0.4298 0.4083 -0.0926 0.0094 0.0442 182 SER B CA 4517 C C . SER B 154 ? 0.1858 0.4256 0.4099 -0.0967 0.0141 0.0500 182 SER B C 4518 O O . SER B 154 ? 0.1890 0.4233 0.4214 -0.1040 0.0120 0.0520 182 SER B O 4519 C CB . SER B 154 ? 0.2168 0.4291 0.4180 -0.0919 0.0045 0.0426 182 SER B CB 4520 O OG . SER B 154 ? 0.2296 0.4342 0.4205 -0.0904 0.0022 0.0347 182 SER B OG 4521 N N . HIS B 155 ? 0.1798 0.4346 0.4095 -0.0935 0.0223 0.0506 183 HIS B N 4522 C CA . HIS B 155 ? 0.1774 0.4387 0.4202 -0.0981 0.0295 0.0517 183 HIS B CA 4523 C C . HIS B 155 ? 0.2310 0.4835 0.4719 -0.1073 0.0306 0.0543 183 HIS B C 4524 O O . HIS B 155 ? 0.2775 0.5190 0.5211 -0.1128 0.0360 0.0479 183 HIS B O 4525 C CB . HIS B 155 ? 0.2309 0.4863 0.4845 -0.0998 0.0270 0.0461 183 HIS B CB 4526 C CG . HIS B 155 ? 0.2273 0.4891 0.4802 -0.0960 0.0218 0.0470 183 HIS B CG 4527 N ND1 . HIS B 155 ? 0.1541 0.4179 0.4007 -0.0872 0.0278 0.0428 183 HIS B ND1 4528 C CD2 . HIS B 155 ? 0.2109 0.4751 0.4648 -0.1025 0.0104 0.0521 183 HIS B CD2 4529 C CE1 . HIS B 155 ? 0.1971 0.4660 0.4410 -0.0892 0.0207 0.0457 183 HIS B CE1 4530 N NE2 . HIS B 155 ? 0.2760 0.5450 0.5232 -0.0999 0.0095 0.0517 183 HIS B NE2 4531 N N . GLY B 156 ? 0.1844 0.4231 0.4089 -0.1040 0.0249 0.0561 184 GLY B N 4532 C CA . GLY B 156 ? 0.2015 0.4237 0.4150 -0.1129 0.0227 0.0592 184 GLY B CA 4533 C C . GLY B 156 ? 0.2553 0.4606 0.4640 -0.1186 0.0161 0.0582 184 GLY B C 4534 O O . GLY B 156 ? 0.3479 0.5362 0.5439 -0.1283 0.0135 0.0606 184 GLY B O 4535 N N . LYS B 157 ? 0.2140 0.4217 0.4303 -0.1145 0.0128 0.0552 185 LYS B N 4536 C CA . LYS B 157 ? 0.2682 0.4620 0.4832 -0.1195 0.0078 0.0536 185 LYS B CA 4537 C C . LYS B 157 ? 0.2544 0.4287 0.4514 -0.1163 -0.0002 0.0549 185 LYS B C 4538 O O . LYS B 157 ? 0.2554 0.4282 0.4473 -0.1067 -0.0048 0.0543 185 LYS B O 4539 C CB . LYS B 157 ? 0.3680 0.5654 0.5910 -0.1150 0.0030 0.0512 185 LYS B CB 4540 C CG . LYS B 157 ? 0.5398 0.7224 0.7604 -0.1170 -0.0032 0.0494 185 LYS B CG 4541 C CD . LYS B 157 ? 0.5700 0.7533 0.7958 -0.1152 -0.0100 0.0484 185 LYS B CD 4542 C CE . LYS B 157 ? 0.5614 0.7300 0.7851 -0.1167 -0.0155 0.0465 185 LYS B CE 4543 N NZ . LYS B 157 ? 0.5446 0.7093 0.7656 -0.1161 -0.0242 0.0467 185 LYS B NZ 4544 N N . PRO B 158 ? 0.2650 0.4238 0.4551 -0.1253 -0.0021 0.0552 186 PRO B N 4545 C CA . PRO B 158 ? 0.3095 0.4485 0.4842 -0.1237 -0.0123 0.0575 186 PRO B CA 4546 C C . PRO B 158 ? 0.3419 0.4804 0.5208 -0.1109 -0.0197 0.0540 186 PRO B C 4547 O O . PRO B 158 ? 0.2761 0.4243 0.4628 -0.1066 -0.0170 0.0502 186 PRO B O 4548 C CB . PRO B 158 ? 0.3272 0.4507 0.4937 -0.1375 -0.0108 0.0567 186 PRO B CB 4549 C CG . PRO B 158 ? 0.3463 0.4827 0.5301 -0.1447 0.0004 0.0511 186 PRO B CG 4550 C CD . PRO B 158 ? 0.2646 0.4227 0.4628 -0.1396 0.0055 0.0518 186 PRO B CD 4551 N N . CYS B 159 ? 0.2963 0.4220 0.4712 -0.1068 -0.0300 0.0545 187 CYS B N 4552 C CA . CYS B 159 ? 0.2979 0.4230 0.4817 -0.0980 -0.0357 0.0482 187 CYS B CA 4553 C C . CYS B 159 ? 0.3989 0.5210 0.5814 -0.1006 -0.0343 0.0472 187 CYS B C 4554 O O . CYS B 159 ? 0.4303 0.5411 0.6039 -0.1086 -0.0346 0.0509 187 CYS B O 4555 C CB . CYS B 159 ? 0.3186 0.4282 0.5061 -0.0953 -0.0498 0.0482 187 CYS B CB 4556 S SG . CYS B 159 ? 0.4377 0.5474 0.6335 -0.0898 -0.0553 0.0467 187 CYS B SG 4557 N N . THR B 160 ? 0.3793 0.5099 0.5689 -0.0958 -0.0321 0.0410 188 THR B N 4558 C CA . THR B 160 ? 0.3576 0.4843 0.5473 -0.0969 -0.0326 0.0394 188 THR B CA 4559 C C . THR B 160 ? 0.4381 0.5583 0.6352 -0.0928 -0.0399 0.0353 188 THR B C 4560 O O . THR B 160 ? 0.3928 0.5202 0.6013 -0.0892 -0.0396 0.0267 188 THR B O 4561 C CB . THR B 160 ? 0.3501 0.4865 0.5410 -0.0973 -0.0281 0.0357 188 THR B CB 4562 O OG1 . THR B 160 ? 0.3829 0.5248 0.5732 -0.1013 -0.0246 0.0397 188 THR B OG1 4563 C CG2 . THR B 160 ? 0.3241 0.4554 0.5152 -0.0983 -0.0295 0.0342 188 THR B CG2 4564 N N . ILE B 161 ? 0.3160 0.4221 0.5083 -0.0953 -0.0461 0.0396 189 ILE B N 4565 C CA . ILE B 161 ? 0.3305 0.4288 0.5330 -0.0922 -0.0561 0.0370 189 ILE B CA 4566 C C . ILE B 161 ? 0.4344 0.5303 0.6351 -0.0926 -0.0535 0.0361 189 ILE B C 4567 O O . ILE B 161 ? 0.5336 0.6207 0.7201 -0.0980 -0.0503 0.0404 189 ILE B O 4568 C CB . ILE B 161 ? 0.3825 0.4616 0.5775 -0.0964 -0.0691 0.0444 189 ILE B CB 4569 C CG1 . ILE B 161 ? 0.3610 0.4418 0.5560 -0.0962 -0.0709 0.0461 189 ILE B CG1 4570 C CG2 . ILE B 161 ? 0.4131 0.4821 0.6235 -0.0936 -0.0839 0.0423 189 ILE B CG2 4571 C CD1 . ILE B 161 ? 0.3364 0.4268 0.5567 -0.0876 -0.0743 0.0362 189 ILE B CD1 4572 N N . PRO B 162 ? 0.3545 0.4590 0.5715 -0.0882 -0.0532 0.0284 190 PRO B N 4573 C CA . PRO B 162 ? 0.3874 0.5037 0.6254 -0.0853 -0.0530 0.0177 190 PRO B CA 4574 C C . PRO B 162 ? 0.3417 0.4706 0.5736 -0.0880 -0.0417 0.0129 190 PRO B C 4575 O O . PRO B 162 ? 0.3565 0.4856 0.5727 -0.0909 -0.0366 0.0182 190 PRO B O 4576 C CB . PRO B 162 ? 0.4156 0.5357 0.6714 -0.0838 -0.0541 0.0106 190 PRO B CB 4577 C CG . PRO B 162 ? 0.4484 0.5650 0.6865 -0.0851 -0.0488 0.0168 190 PRO B CG 4578 C CD . PRO B 162 ? 0.4152 0.5179 0.6324 -0.0876 -0.0514 0.0274 190 PRO B CD 4579 N N . PHE B 163 ? 0.3052 0.4424 0.5502 -0.0884 -0.0389 0.0020 191 PHE B N 4580 C CA . PHE B 163 ? 0.3030 0.4493 0.5382 -0.0943 -0.0284 -0.0041 191 PHE B CA 4581 C C . PHE B 163 ? 0.3053 0.4597 0.5589 -0.1000 -0.0222 -0.0225 191 PHE B C 4582 O O . PHE B 163 ? 0.3048 0.4604 0.5872 -0.0969 -0.0267 -0.0322 191 PHE B O 4583 C CB . PHE B 163 ? 0.3000 0.4481 0.5273 -0.0932 -0.0265 -0.0020 191 PHE B CB 4584 C CG . PHE B 163 ? 0.3000 0.4478 0.5479 -0.0882 -0.0306 -0.0106 191 PHE B CG 4585 C CD1 . PHE B 163 ? 0.3025 0.4404 0.5547 -0.0825 -0.0420 -0.0015 191 PHE B CD1 4586 C CD2 . PHE B 163 ? 0.3005 0.4555 0.5639 -0.0913 -0.0237 -0.0290 191 PHE B CD2 4587 C CE1 . PHE B 163 ? 0.3051 0.4393 0.5786 -0.0781 -0.0497 -0.0087 191 PHE B CE1 4588 C CE2 . PHE B 163 ? 0.3004 0.4537 0.5897 -0.0861 -0.0289 -0.0393 191 PHE B CE2 4589 C CZ . PHE B 163 ? 0.3024 0.4449 0.5978 -0.0784 -0.0436 -0.0281 191 PHE B CZ 4590 N N . LYS B 164 ? 0.3125 0.4712 0.5508 -0.1108 -0.0125 -0.0284 192 LYS B N 4591 C CA . LYS B 164 ? 0.3426 0.5086 0.5942 -0.1222 -0.0026 -0.0490 192 LYS B CA 4592 C C . LYS B 164 ? 0.3325 0.5010 0.5825 -0.1281 0.0052 -0.0622 192 LYS B C 4593 O O . LYS B 164 ? 0.3240 0.4893 0.5461 -0.1316 0.0071 -0.0545 192 LYS B O 4594 C CB . LYS B 164 ? 0.4319 0.5972 0.6630 -0.1357 0.0035 -0.0490 192 LYS B CB 4595 C CG . LYS B 164 ? 0.5784 0.7519 0.8259 -0.1510 0.0157 -0.0721 192 LYS B CG 4596 C CD . LYS B 164 ? 0.7533 0.9235 0.9744 -0.1678 0.0213 -0.0707 192 LYS B CD 4597 C CE . LYS B 164 ? 0.7769 0.9453 0.9987 -0.1581 0.0134 -0.0558 192 LYS B CE 4598 N NZ . LYS B 164 ? 0.9160 1.0751 1.1044 -0.1719 0.0133 -0.0478 192 LYS B NZ 4599 N N . TYR B 165 ? 0.3193 0.4933 0.6027 -0.1296 0.0094 -0.0835 193 TYR B N 4600 C CA . TYR B 165 ? 0.3244 0.5006 0.6105 -0.1372 0.0199 -0.1022 193 TYR B CA 4601 C C . TYR B 165 ? 0.3675 0.5508 0.6829 -0.1525 0.0327 -0.1326 193 TYR B C 4602 O O . TYR B 165 ? 0.4420 0.6303 0.8006 -0.1475 0.0277 -0.1427 193 TYR B O 4603 C CB . TYR B 165 ? 0.3150 0.4894 0.6210 -0.1218 0.0116 -0.1013 193 TYR B CB 4604 C CG . TYR B 165 ? 0.3190 0.4963 0.6386 -0.1288 0.0237 -0.1269 193 TYR B CG 4605 C CD1 . TYR B 165 ? 0.3241 0.5002 0.6103 -0.1347 0.0331 -0.1259 193 TYR B CD1 4606 C CD2 . TYR B 165 ? 0.3182 0.4989 0.6873 -0.1303 0.0255 -0.1538 193 TYR B CD2 4607 C CE1 . TYR B 165 ? 0.3291 0.5067 0.6259 -0.1421 0.0461 -0.1517 193 TYR B CE1 4608 C CE2 . TYR B 165 ? 0.3427 0.5251 0.7284 -0.1376 0.0382 -0.1814 193 TYR B CE2 4609 C CZ . TYR B 165 ? 0.3538 0.5343 0.7007 -0.1436 0.0495 -0.1805 193 TYR B CZ 4610 O OH . TYR B 165 ? 0.3950 0.5761 0.7574 -0.1518 0.0639 -0.2104 193 TYR B OH 4611 N N . ASP B 166 ? 0.3468 0.5295 0.6400 -0.1732 0.0490 -0.1486 194 ASP B N 4612 C CA . ASP B 166 ? 0.4790 0.6678 0.7949 -0.1952 0.0665 -0.1822 194 ASP B CA 4613 C C . ASP B 166 ? 0.5711 0.7676 0.9107 -0.1990 0.0658 -0.1847 194 ASP B C 4614 O O . ASP B 166 ? 0.6565 0.8564 1.0354 -0.1955 0.0693 -0.2038 194 ASP B O 4615 C CB . ASP B 166 ? 0.4807 0.6738 0.8445 -0.1917 0.0713 -0.2105 194 ASP B CB 4616 C CG . ASP B 166 ? 0.5853 0.7706 0.9430 -0.2029 0.0910 -0.2374 194 ASP B CG 4617 O OD1 . ASP B 166 ? 0.6548 0.8338 0.9659 -0.2232 0.1039 -0.2383 194 ASP B OD1 4618 O OD2 . ASP B 166 ? 0.6182 0.8028 1.0170 -0.1916 0.0929 -0.2570 194 ASP B OD2 4619 N N . ASN B 167 ? 0.4743 0.6664 0.7792 -0.1974 0.0589 -0.1594 195 ASN B N 4620 C CA . ASN B 167 ? 0.5676 0.7663 0.8855 -0.2005 0.0588 -0.1578 195 ASN B CA 4621 C C . ASN B 167 ? 0.5548 0.7621 0.9267 -0.1811 0.0472 -0.1590 195 ASN B C 4622 O O . ASN B 167 ? 0.6240 0.8409 1.0267 -0.1855 0.0512 -0.1710 195 ASN B O 4623 C CB . ASN B 167 ? 0.7129 0.9121 1.0226 -0.2255 0.0780 -0.1805 195 ASN B CB 4624 C CG . ASN B 167 ? 0.8488 1.0345 1.0975 -0.2484 0.0849 -0.1747 195 ASN B CG 4625 O OD1 . ASN B 167 ? 0.8807 1.0599 1.0967 -0.2492 0.0745 -0.1505 195 ASN B OD1 4626 N ND2 . ASN B 167 ? 0.8684 1.0433 1.0950 -0.2615 0.0995 -0.1934 195 ASN B ND2 4627 N N . GLN B 168 ? 0.5255 0.7266 0.9057 -0.1599 0.0314 -0.1453 196 GLN B N 4628 C CA . GLN B 168 ? 0.4859 0.6873 0.9026 -0.1419 0.0141 -0.1375 196 GLN B CA 4629 C C . GLN B 168 ? 0.4387 0.6273 0.8207 -0.1254 -0.0010 -0.1055 196 GLN B C 4630 O O . GLN B 168 ? 0.4871 0.6690 0.8362 -0.1238 -0.0002 -0.0949 196 GLN B O 4631 C CB . GLN B 168 ? 0.4670 0.6700 0.9379 -0.1368 0.0074 -0.1577 196 GLN B CB 4632 C CG . GLN B 168 ? 0.6722 0.8796 1.1670 -0.1487 0.0244 -0.1891 196 GLN B CG 4633 C CD . GLN B 168 ? 0.8380 1.0366 1.3725 -0.1363 0.0171 -0.2053 196 GLN B CD 4634 O OE1 . GLN B 168 ? 0.8000 0.9923 1.3488 -0.1246 -0.0005 -0.1964 196 GLN B OE1 4635 N NE2 . GLN B 168 ? 0.9946 1.1918 1.5475 -0.1389 0.0303 -0.2293 196 GLN B NE2 4636 N N . TRP B 169 ? 0.5051 0.6907 0.8954 -0.1152 -0.0133 -0.0919 197 TRP B N 4637 C CA . TRP B 169 ? 0.3447 0.5169 0.7070 -0.1029 -0.0263 -0.0658 197 TRP B CA 4638 C C . TRP B 169 ? 0.4014 0.5634 0.7841 -0.0929 -0.0434 -0.0624 197 TRP B C 4639 O O . TRP B 169 ? 0.5200 0.6831 0.9465 -0.0910 -0.0529 -0.0746 197 TRP B O 4640 C CB . TRP B 169 ? 0.3632 0.5336 0.7195 -0.0993 -0.0303 -0.0541 197 TRP B CB 4641 C CG . TRP B 169 ? 0.3606 0.5335 0.6848 -0.1063 -0.0189 -0.0487 197 TRP B CG 4642 C CD1 . TRP B 169 ? 0.4012 0.5843 0.7298 -0.1166 -0.0077 -0.0590 197 TRP B CD1 4643 C CD2 . TRP B 169 ? 0.3362 0.4998 0.6211 -0.1053 -0.0189 -0.0323 197 TRP B CD2 4644 N NE1 . TRP B 169 ? 0.3955 0.5732 0.6868 -0.1217 -0.0033 -0.0482 197 TRP B NE1 4645 C CE2 . TRP B 169 ? 0.3485 0.5146 0.6160 -0.1144 -0.0107 -0.0324 197 TRP B CE2 4646 C CE3 . TRP B 169 ? 0.3223 0.4758 0.5884 -0.0992 -0.0254 -0.0185 197 TRP B CE3 4647 C CZ2 . TRP B 169 ? 0.3431 0.5003 0.5793 -0.1160 -0.0120 -0.0192 197 TRP B CZ2 4648 C CZ3 . TRP B 169 ? 0.3164 0.4645 0.5538 -0.1014 -0.0236 -0.0072 197 TRP B CZ3 4649 C CH2 . TRP B 169 ? 0.3287 0.4778 0.5535 -0.1090 -0.0185 -0.0076 197 TRP B CH2 4650 N N . PHE B 170 ? 0.3492 0.5004 0.7023 -0.0878 -0.0485 -0.0461 198 PHE B N 4651 C CA . PHE B 170 ? 0.4064 0.5444 0.7693 -0.0809 -0.0654 -0.0396 198 PHE B CA 4652 C C . PHE B 170 ? 0.3332 0.4558 0.6645 -0.0783 -0.0749 -0.0166 198 PHE B C 4653 O O . PHE B 170 ? 0.3159 0.4396 0.6141 -0.0804 -0.0652 -0.0063 198 PHE B O 4654 C CB . PHE B 170 ? 0.3360 0.4755 0.6937 -0.0803 -0.0602 -0.0446 198 PHE B CB 4655 C CG . PHE B 170 ? 0.3100 0.4601 0.7041 -0.0843 -0.0523 -0.0715 198 PHE B CG 4656 C CD1 . PHE B 170 ? 0.3219 0.4666 0.7615 -0.0802 -0.0662 -0.0846 198 PHE B CD1 4657 C CD2 . PHE B 170 ? 0.3077 0.4707 0.6922 -0.0948 -0.0318 -0.0856 198 PHE B CD2 4658 C CE1 . PHE B 170 ? 0.3457 0.5001 0.8260 -0.0855 -0.0572 -0.1143 198 PHE B CE1 4659 C CE2 . PHE B 170 ? 0.3168 0.4883 0.7341 -0.1028 -0.0214 -0.1145 198 PHE B CE2 4660 C CZ . PHE B 170 ? 0.3402 0.5087 0.8083 -0.0977 -0.0328 -0.1304 198 PHE B CZ 4661 N N . HIS B 171 ? 0.3293 0.4365 0.6731 -0.0760 -0.0943 -0.0102 199 HIS B N 4662 C CA . HIS B 171 ? 0.3426 0.4307 0.6545 -0.0781 -0.1037 0.0091 199 HIS B CA 4663 C C . HIS B 171 ? 0.3563 0.4273 0.6521 -0.0801 -0.1152 0.0198 199 HIS B C 4664 O O . HIS B 171 ? 0.4232 0.4734 0.6940 -0.0862 -0.1260 0.0340 199 HIS B O 4665 C CB . HIS B 171 ? 0.3631 0.4408 0.6892 -0.0782 -0.1183 0.0114 199 HIS B CB 4666 C CG . HIS B 171 ? 0.3816 0.4547 0.7536 -0.0757 -0.1379 0.0020 199 HIS B CG 4667 N ND1 . HIS B 171 ? 0.3765 0.4692 0.7954 -0.0733 -0.1324 -0.0188 199 HIS B ND1 4668 C CD2 . HIS B 171 ? 0.4091 0.4586 0.7904 -0.0771 -0.1644 0.0090 199 HIS B CD2 4669 C CE1 . HIS B 171 ? 0.4216 0.5049 0.8835 -0.0718 -0.1546 -0.0258 199 HIS B CE1 4670 N NE2 . HIS B 171 ? 0.4470 0.5027 0.8861 -0.0735 -0.1762 -0.0079 199 HIS B NE2 4671 N N . GLY B 172 ? 0.4397 0.5173 0.7495 -0.0770 -0.1135 0.0119 200 GLY B N 4672 C CA . GLY B 172 ? 0.3798 0.4442 0.6725 -0.0788 -0.1211 0.0218 200 GLY B CA 4673 C C . GLY B 172 ? 0.3563 0.4346 0.6658 -0.0734 -0.1124 0.0093 200 GLY B C 4674 O O . GLY B 172 ? 0.3493 0.4465 0.6757 -0.0710 -0.0978 -0.0065 200 GLY B O 4675 N N . CYS B 173 ? 0.3554 0.4228 0.6569 -0.0735 -0.1207 0.0162 201 CYS B N 4676 C CA . CYS B 173 ? 0.3436 0.4224 0.6612 -0.0675 -0.1130 0.0038 201 CYS B CA 4677 C C . CYS B 173 ? 0.3888 0.4689 0.7575 -0.0623 -0.1217 -0.0178 201 CYS B C 4678 O O . CYS B 173 ? 0.4241 0.4902 0.8181 -0.0628 -0.1422 -0.0186 201 CYS B O 4679 C CB . CYS B 173 ? 0.3869 0.4524 0.6867 -0.0688 -0.1215 0.0164 201 CYS B CB 4680 S SG . CYS B 173 ? 0.4604 0.5279 0.7083 -0.0788 -0.1071 0.0365 201 CYS B SG 4681 N N . THR B 174 ? 0.3286 0.4254 0.7145 -0.0591 -0.1056 -0.0373 202 THR B N 4682 C CA . THR B 174 ? 0.3256 0.4276 0.7640 -0.0574 -0.1069 -0.0648 202 THR B CA 4683 C C . THR B 174 ? 0.3177 0.4268 0.7678 -0.0537 -0.0956 -0.0818 202 THR B C 4684 O O . THR B 174 ? 0.3102 0.4270 0.7244 -0.0531 -0.0808 -0.0734 202 THR B O 4685 C CB . THR B 174 ? 0.3176 0.4367 0.7631 -0.0639 -0.0897 -0.0785 202 THR B CB 4686 O OG1 . THR B 174 ? 0.3137 0.4413 0.8089 -0.0663 -0.0837 -0.1103 202 THR B OG1 4687 C CG2 . THR B 174 ? 0.3089 0.4421 0.7099 -0.0686 -0.0657 -0.0730 202 THR B CG2 4688 N N . SER B 175 ? 0.3193 0.4253 0.8237 -0.0512 -0.1034 -0.1070 203 SER B N 4689 C CA . SER B 175 ? 0.3117 0.4251 0.8334 -0.0488 -0.0894 -0.1302 203 SER B CA 4690 C C . SER B 175 ? 0.3049 0.4364 0.8437 -0.0587 -0.0638 -0.1608 203 SER B C 4691 O O . SER B 175 ? 0.3006 0.4386 0.8485 -0.0604 -0.0474 -0.1835 203 SER B O 4692 C CB . SER B 175 ? 0.3193 0.4156 0.8928 -0.0411 -0.1131 -0.1426 203 SER B CB 4693 O OG . SER B 175 ? 0.3208 0.4181 0.9592 -0.0442 -0.1176 -0.1735 203 SER B OG 4694 N N . THR B 176 ? 0.3056 0.4444 0.8453 -0.0673 -0.0592 -0.1620 204 THR B N 4695 C CA . THR B 176 ? 0.3036 0.4580 0.8524 -0.0818 -0.0342 -0.1892 204 THR B CA 4696 C C . THR B 176 ? 0.3024 0.4651 0.7963 -0.0889 -0.0102 -0.1854 204 THR B C 4697 O O . THR B 176 ? 0.3008 0.4631 0.7447 -0.0861 -0.0109 -0.1562 204 THR B O 4698 C CB . THR B 176 ? 0.3047 0.4643 0.8553 -0.0888 -0.0358 -0.1834 204 THR B CB 4699 O OG1 . THR B 176 ? 0.3518 0.5021 0.9538 -0.0823 -0.0551 -0.1914 204 THR B OG1 4700 C CG2 . THR B 176 ? 0.3061 0.4807 0.8473 -0.1076 -0.0081 -0.2047 204 THR B CG2 4701 N N . GLY B 177 ? 0.4090 0.5781 0.9140 -0.1001 0.0107 -0.2167 205 GLY B N 4702 C CA . GLY B 177 ? 0.3339 0.5075 0.7880 -0.1088 0.0313 -0.2154 205 GLY B CA 4703 C C . GLY B 177 ? 0.3220 0.4928 0.7717 -0.0984 0.0331 -0.2174 205 GLY B C 4704 O O . GLY B 177 ? 0.3057 0.4800 0.7185 -0.1062 0.0508 -0.2209 205 GLY B O 4705 N N . ARG B 178 ? 0.2964 0.4594 0.7809 -0.0818 0.0140 -0.2143 206 ARG B N 4706 C CA . ARG B 178 ? 0.2906 0.4505 0.7785 -0.0709 0.0147 -0.2188 206 ARG B CA 4707 C C . ARG B 178 ? 0.2922 0.4448 0.8494 -0.0668 0.0066 -0.2514 206 ARG B C 4708 O O . ARG B 178 ? 0.3015 0.4457 0.8923 -0.0643 -0.0065 -0.2559 206 ARG B O 4709 C CB . ARG B 178 ? 0.2839 0.4382 0.7450 -0.0555 -0.0032 -0.1815 206 ARG B CB 4710 C CG . ARG B 178 ? 0.2813 0.4419 0.6862 -0.0591 0.0005 -0.1496 206 ARG B CG 4711 C CD . ARG B 178 ? 0.2738 0.4316 0.6556 -0.0476 -0.0097 -0.1213 206 ARG B CD 4712 N NE . ARG B 178 ? 0.2658 0.4271 0.6511 -0.0406 -0.0006 -0.1325 206 ARG B NE 4713 C CZ . ARG B 178 ? 0.2579 0.4312 0.6121 -0.0434 0.0185 -0.1325 206 ARG B CZ 4714 N NH1 . ARG B 178 ? 0.2590 0.4398 0.5771 -0.0536 0.0276 -0.1208 206 ARG B NH1 4715 N NH2 . ARG B 178 ? 0.2498 0.4263 0.6103 -0.0360 0.0267 -0.1442 206 ARG B NH2 4716 N N . GLU B 179 ? 0.2897 0.4408 0.8569 -0.0617 0.0168 -0.2710 207 GLU B N 4717 C CA . GLU B 179 ? 0.3009 0.4377 0.9126 -0.0457 0.0109 -0.2911 207 GLU B CA 4718 C C . GLU B 179 ? 0.2938 0.4182 0.9264 -0.0292 -0.0158 -0.2769 207 GLU B C 4719 O O . GLU B 179 ? 0.3031 0.4170 0.9776 -0.0144 -0.0264 -0.2886 207 GLU B O 4720 C CB . GLU B 179 ? 0.3884 0.5352 0.9977 -0.0478 0.0423 -0.3206 207 GLU B CB 4721 C CG . GLU B 179 ? 0.6574 0.8146 1.2257 -0.0695 0.0709 -0.3301 207 GLU B CG 4722 C CD . GLU B 179 ? 0.9538 1.1111 1.5360 -0.0767 0.0708 -0.3344 207 GLU B CD 4723 O OE1 . GLU B 179 ? 1.0676 1.2234 1.7010 -0.0646 0.0611 -0.3443 207 GLU B OE1 4724 O OE2 . GLU B 179 ? 1.0503 1.2105 1.5936 -0.0945 0.0796 -0.3268 207 GLU B OE2 4725 N N . ASP B 180 ? 0.2812 0.4101 0.8783 -0.0279 -0.0248 -0.2457 208 ASP B N 4726 C CA . ASP B 180 ? 0.2792 0.3958 0.8781 -0.0124 -0.0439 -0.2288 208 ASP B CA 4727 C C . ASP B 180 ? 0.2909 0.3889 0.8925 -0.0080 -0.0790 -0.1982 208 ASP B C 4728 O O . ASP B 180 ? 0.2945 0.3791 0.8886 0.0009 -0.0971 -0.1794 208 ASP B O 4729 C CB . ASP B 180 ? 0.2667 0.3957 0.8067 -0.0084 -0.0261 -0.2083 208 ASP B CB 4730 C CG . ASP B 180 ? 0.2643 0.4039 0.7461 -0.0157 -0.0197 -0.1759 208 ASP B CG 4731 O OD1 . ASP B 180 ? 0.2727 0.4081 0.7530 -0.0220 -0.0309 -0.1641 208 ASP B OD1 4732 O OD2 . ASP B 180 ? 0.2531 0.4054 0.6930 -0.0146 -0.0039 -0.1625 208 ASP B OD2 4733 N N . GLY B 181 ? 0.3007 0.3968 0.9082 -0.0159 -0.0885 -0.1920 209 GLY B N 4734 C CA . GLY B 181 ? 0.3701 0.4464 0.9752 -0.0148 -0.1211 -0.1637 209 GLY B CA 4735 C C . GLY B 181 ? 0.3585 0.4358 0.8959 -0.0177 -0.1204 -0.1239 209 GLY B C 4736 O O . GLY B 181 ? 0.4950 0.5567 1.0233 -0.0216 -0.1427 -0.1024 209 GLY B O 4737 N N . HIS B 182 ? 0.3334 0.4279 0.8254 -0.0174 -0.0959 -0.1150 210 HIS B N 4738 C CA . HIS B 182 ? 0.3065 0.4017 0.7437 -0.0210 -0.0958 -0.0806 210 HIS B CA 4739 C C . HIS B 182 ? 0.3086 0.4097 0.7246 -0.0301 -0.0910 -0.0704 210 HIS B C 4740 O O . HIS B 182 ? 0.3544 0.4725 0.7666 -0.0344 -0.0705 -0.0834 210 HIS B O 4741 C CB . HIS B 182 ? 0.3233 0.4368 0.7278 -0.0181 -0.0722 -0.0762 210 HIS B CB 4742 C CG . HIS B 182 ? 0.4087 0.5165 0.8284 -0.0084 -0.0767 -0.0820 210 HIS B CG 4743 N ND1 . HIS B 182 ? 0.3845 0.5087 0.8050 -0.0023 -0.0543 -0.0988 210 HIS B ND1 4744 C CD2 . HIS B 182 ? 0.4631 0.5485 0.8962 -0.0045 -0.1022 -0.0730 210 HIS B CD2 4745 C CE1 . HIS B 182 ? 0.2965 0.4111 0.7329 0.0068 -0.0641 -0.1008 210 HIS B CE1 4746 N NE2 . HIS B 182 ? 0.4664 0.5566 0.9104 0.0053 -0.0940 -0.0846 210 HIS B NE2 4747 N N . LEU B 183 ? 0.3189 0.4037 0.7187 -0.0348 -0.1105 -0.0473 211 LEU B N 4748 C CA . LEU B 183 ? 0.3222 0.4095 0.7041 -0.0425 -0.1084 -0.0375 211 LEU B CA 4749 C C . LEU B 183 ? 0.3083 0.4141 0.6471 -0.0466 -0.0849 -0.0259 211 LEU B C 4750 O O . LEU B 183 ? 0.3034 0.4121 0.6166 -0.0468 -0.0796 -0.0125 211 LEU B O 4751 C CB . LEU B 183 ? 0.3453 0.4071 0.7172 -0.0481 -0.1351 -0.0165 211 LEU B CB 4752 C CG . LEU B 183 ? 0.3646 0.4024 0.7806 -0.0459 -0.1665 -0.0238 211 LEU B CG 4753 C CD1 . LEU B 183 ? 0.3949 0.4007 0.7854 -0.0549 -0.1953 0.0025 211 LEU B CD1 4754 C CD2 . LEU B 183 ? 0.3610 0.4058 0.8190 -0.0455 -0.1676 -0.0434 211 LEU B CD2 4755 N N . TRP B 184 ? 0.3024 0.4205 0.6365 -0.0509 -0.0719 -0.0317 212 TRP B N 4756 C CA . TRP B 184 ? 0.2910 0.4246 0.5914 -0.0553 -0.0529 -0.0234 212 TRP B CA 4757 C C . TRP B 184 ? 0.2953 0.4284 0.5848 -0.0618 -0.0530 -0.0166 212 TRP B C 4758 O O . TRP B 184 ? 0.3039 0.4292 0.6134 -0.0624 -0.0633 -0.0222 212 TRP B O 4759 C CB . TRP B 184 ? 0.2797 0.4296 0.5825 -0.0552 -0.0333 -0.0418 212 TRP B CB 4760 C CG . TRP B 184 ? 0.2839 0.4370 0.6059 -0.0605 -0.0274 -0.0627 212 TRP B CG 4761 C CD1 . TRP B 184 ? 0.2886 0.4377 0.6510 -0.0594 -0.0317 -0.0856 212 TRP B CD1 4762 C CD2 . TRP B 184 ? 0.2850 0.4458 0.5890 -0.0703 -0.0159 -0.0641 212 TRP B CD2 4763 N NE1 . TRP B 184 ? 0.2917 0.4476 0.6626 -0.0693 -0.0207 -0.1028 212 TRP B NE1 4764 C CE2 . TRP B 184 ? 0.2910 0.4530 0.6229 -0.0764 -0.0114 -0.0887 212 TRP B CE2 4765 C CE3 . TRP B 184 ? 0.2827 0.4484 0.5527 -0.0758 -0.0099 -0.0481 212 TRP B CE3 4766 C CZ2 . TRP B 184 ? 0.2964 0.4638 0.6174 -0.0890 -0.0004 -0.0960 212 TRP B CZ2 4767 C CZ3 . TRP B 184 ? 0.2889 0.4576 0.5490 -0.0865 -0.0021 -0.0544 212 TRP B CZ3 4768 C CH2 . TRP B 184 ? 0.2964 0.4658 0.5789 -0.0937 0.0031 -0.0774 212 TRP B CH2 4769 N N . CYS B 185 ? 0.3039 0.4456 0.5652 -0.0663 -0.0420 -0.0054 213 CYS B N 4770 C CA . CYS B 185 ? 0.3156 0.4574 0.5666 -0.0719 -0.0404 -0.0005 213 CYS B CA 4771 C C . CYS B 185 ? 0.2886 0.4433 0.5209 -0.0765 -0.0261 0.0004 213 CYS B C 4772 O O . CYS B 185 ? 0.2738 0.4362 0.4965 -0.0758 -0.0193 0.0036 213 CYS B O 4773 C CB . CYS B 185 ? 0.3434 0.4725 0.5801 -0.0752 -0.0500 0.0168 213 CYS B CB 4774 S SG . CYS B 185 ? 0.3726 0.5068 0.5862 -0.0792 -0.0421 0.0306 213 CYS B SG 4775 N N . ALA B 186 ? 0.3534 0.5093 0.5812 -0.0818 -0.0232 -0.0019 214 ALA B N 4776 C CA . ALA B 186 ? 0.3051 0.4674 0.5138 -0.0880 -0.0155 0.0025 214 ALA B CA 4777 C C . ALA B 186 ? 0.2780 0.4380 0.4769 -0.0888 -0.0186 0.0187 214 ALA B C 4778 O O . ALA B 186 ? 0.2940 0.4453 0.4950 -0.0878 -0.0249 0.0250 214 ALA B O 4779 C CB . ALA B 186 ? 0.3030 0.4647 0.5085 -0.0957 -0.0125 -0.0052 214 ALA B CB 4780 N N . THR B 187 ? 0.3056 0.4723 0.4957 -0.0923 -0.0144 0.0238 215 THR B N 4781 C CA . THR B 187 ? 0.3055 0.4712 0.4947 -0.0955 -0.0160 0.0345 215 THR B CA 4782 C C . THR B 187 ? 0.3575 0.5197 0.5439 -0.1012 -0.0188 0.0363 215 THR B C 4783 O O . THR B 187 ? 0.3899 0.5513 0.5821 -0.1046 -0.0200 0.0416 215 THR B O 4784 C CB . THR B 187 ? 0.2871 0.4635 0.4787 -0.0958 -0.0113 0.0388 215 THR B CB 4785 O OG1 . THR B 187 ? 0.2969 0.4810 0.4841 -0.0974 -0.0089 0.0359 215 THR B OG1 4786 C CG2 . THR B 187 ? 0.2833 0.4602 0.4768 -0.0903 -0.0101 0.0380 215 THR B CG2 4787 N N . THR B 188 ? 0.2944 0.4539 0.4739 -0.1041 -0.0196 0.0305 216 THR B N 4788 C CA . THR B 188 ? 0.3382 0.4897 0.5147 -0.1087 -0.0242 0.0317 216 THR B CA 4789 C C . THR B 188 ? 0.4780 0.6266 0.6562 -0.1071 -0.0229 0.0240 216 THR B C 4790 O O . THR B 188 ? 0.5444 0.6961 0.7297 -0.1029 -0.0203 0.0172 216 THR B O 4791 C CB . THR B 188 ? 0.3847 0.5334 0.5495 -0.1182 -0.0282 0.0329 216 THR B CB 4792 O OG1 . THR B 188 ? 0.4491 0.5977 0.6004 -0.1244 -0.0235 0.0235 216 THR B OG1 4793 C CG2 . THR B 188 ? 0.2916 0.4458 0.4595 -0.1197 -0.0303 0.0386 216 THR B CG2 4794 N N . GLN B 189 ? 0.3478 0.4905 0.5236 -0.1106 -0.0255 0.0240 217 GLN B N 4795 C CA . GLN B 189 ? 0.4553 0.5976 0.6381 -0.1090 -0.0238 0.0165 217 GLN B CA 4796 C C . GLN B 189 ? 0.4184 0.5645 0.5969 -0.1181 -0.0179 0.0043 217 GLN B C 4797 O O . GLN B 189 ? 0.4272 0.5769 0.6197 -0.1178 -0.0146 -0.0061 217 GLN B O 4798 C CB . GLN B 189 ? 0.5018 0.6374 0.6859 -0.1081 -0.0272 0.0207 217 GLN B CB 4799 C CG . GLN B 189 ? 0.5208 0.6508 0.6936 -0.1163 -0.0303 0.0236 217 GLN B CG 4800 C CD . GLN B 189 ? 0.5384 0.6606 0.7167 -0.1128 -0.0340 0.0276 217 GLN B CD 4801 O OE1 . GLN B 189 ? 0.6043 0.7265 0.7909 -0.1064 -0.0318 0.0256 217 GLN B OE1 4802 N NE2 . GLN B 189 ? 0.4687 0.5828 0.6443 -0.1174 -0.0409 0.0324 217 GLN B NE2 4803 N N . ASP B 190 ? 0.4113 0.5559 0.5719 -0.1284 -0.0165 0.0039 218 ASP B N 4804 C CA . ASP B 190 ? 0.3798 0.5256 0.5310 -0.1421 -0.0084 -0.0104 218 ASP B CA 4805 C C . ASP B 190 ? 0.3462 0.4949 0.4899 -0.1442 -0.0040 -0.0148 218 ASP B C 4806 O O . ASP B 190 ? 0.4329 0.5767 0.5574 -0.1501 -0.0083 -0.0065 218 ASP B O 4807 C CB . ASP B 190 ? 0.4866 0.6222 0.6144 -0.1582 -0.0114 -0.0076 218 ASP B CB 4808 C CG . ASP B 190 ? 0.6658 0.8000 0.7790 -0.1783 -0.0009 -0.0243 218 ASP B CG 4809 O OD1 . ASP B 190 ? 0.7761 0.9194 0.9053 -0.1784 0.0102 -0.0414 218 ASP B OD1 4810 O OD2 . ASP B 190 ? 0.7762 0.8983 0.8626 -0.1961 -0.0043 -0.0213 218 ASP B OD2 4811 N N . TYR B 191 ? 0.3407 0.4965 0.5018 -0.1402 0.0037 -0.0294 219 TYR B N 4812 C CA . TYR B 191 ? 0.3364 0.4953 0.4922 -0.1411 0.0095 -0.0360 219 TYR B CA 4813 C C . TYR B 191 ? 0.4854 0.6385 0.6146 -0.1625 0.0179 -0.0478 219 TYR B C 4814 O O . TYR B 191 ? 0.5075 0.6583 0.6174 -0.1670 0.0188 -0.0453 219 TYR B O 4815 C CB . TYR B 191 ? 0.3230 0.4885 0.5091 -0.1309 0.0137 -0.0501 219 TYR B CB 4816 C CG . TYR B 191 ? 0.3207 0.4895 0.5043 -0.1306 0.0213 -0.0599 219 TYR B CG 4817 C CD1 . TYR B 191 ? 0.3079 0.4798 0.4866 -0.1197 0.0172 -0.0459 219 TYR B CD1 4818 C CD2 . TYR B 191 ? 0.3360 0.5052 0.5238 -0.1426 0.0342 -0.0853 219 TYR B CD2 4819 C CE1 . TYR B 191 ? 0.3047 0.4807 0.4816 -0.1183 0.0249 -0.0548 219 TYR B CE1 4820 C CE2 . TYR B 191 ? 0.4454 0.6167 0.6313 -0.1420 0.0424 -0.0963 219 TYR B CE2 4821 C CZ . TYR B 191 ? 0.3853 0.5603 0.5650 -0.1287 0.0372 -0.0800 219 TYR B CZ 4822 O OH . TYR B 191 ? 0.3794 0.5575 0.5575 -0.1273 0.0462 -0.0914 219 TYR B OH 4823 N N . GLY B 192 ? 0.4346 0.5844 0.5608 -0.1781 0.0245 -0.0614 220 GLY B N 4824 C CA . GLY B 192 ? 0.4331 0.5732 0.5267 -0.2047 0.0329 -0.0731 220 GLY B CA 4825 C C . GLY B 192 ? 0.4949 0.6211 0.5508 -0.2140 0.0203 -0.0531 220 GLY B C 4826 O O . GLY B 192 ? 0.5170 0.6344 0.5441 -0.2291 0.0226 -0.0563 220 GLY B O 4827 N N . LYS B 193 ? 0.5032 0.6256 0.5608 -0.2062 0.0059 -0.0333 221 LYS B N 4828 C CA . LYS B 193 ? 0.5885 0.6976 0.6231 -0.2116 -0.0105 -0.0139 221 LYS B CA 4829 C C . LYS B 193 ? 0.5776 0.6927 0.6178 -0.1996 -0.0148 -0.0052 221 LYS B C 4830 O O . LYS B 193 ? 0.5682 0.6743 0.5831 -0.2129 -0.0183 -0.0034 221 LYS B O 4831 C CB . LYS B 193 ? 0.6032 0.7086 0.6497 -0.2028 -0.0239 0.0014 221 LYS B CB 4832 C CG . LYS B 193 ? 0.6474 0.7331 0.6712 -0.2159 -0.0432 0.0170 221 LYS B CG 4833 C CD . LYS B 193 ? 0.6568 0.7357 0.6916 -0.2112 -0.0542 0.0264 221 LYS B CD 4834 C CE . LYS B 193 ? 0.7042 0.7903 0.7721 -0.1895 -0.0626 0.0371 221 LYS B CE 4835 N NZ . LYS B 193 ? 0.8045 0.8833 0.8735 -0.1920 -0.0784 0.0483 221 LYS B NZ 4836 N N . ASP B 194 ? 0.6065 0.7354 0.6779 -0.1766 -0.0156 0.0012 222 ASP B N 4837 C CA . ASP B 194 ? 0.4861 0.6214 0.5654 -0.1668 -0.0208 0.0119 222 ASP B CA 4838 C C . ASP B 194 ? 0.4416 0.5894 0.5274 -0.1589 -0.0084 0.0022 222 ASP B C 4839 O O . ASP B 194 ? 0.4200 0.5725 0.5045 -0.1563 -0.0108 0.0088 222 ASP B O 4840 C CB . ASP B 194 ? 0.5466 0.6875 0.6527 -0.1515 -0.0282 0.0240 222 ASP B CB 4841 C CG . ASP B 194 ? 0.6933 0.8213 0.7973 -0.1576 -0.0400 0.0312 222 ASP B CG 4842 O OD1 . ASP B 194 ? 0.8362 0.9513 0.9267 -0.1697 -0.0533 0.0389 222 ASP B OD1 4843 O OD2 . ASP B 194 ? 0.5758 0.7050 0.6918 -0.1506 -0.0374 0.0293 222 ASP B OD2 4844 N N . GLU B 195 ? 0.5092 0.6621 0.6044 -0.1558 0.0040 -0.0145 223 GLU B N 4845 C CA . GLU B 195 ? 0.4134 0.5762 0.5193 -0.1472 0.0147 -0.0258 223 GLU B CA 4846 C C . GLU B 195 ? 0.3064 0.4803 0.4300 -0.1296 0.0107 -0.0122 223 GLU B C 4847 O O . GLU B 195 ? 0.2962 0.4775 0.4192 -0.1254 0.0159 -0.0140 223 GLU B O 4848 C CB . GLU B 195 ? 0.4942 0.6518 0.5734 -0.1629 0.0227 -0.0372 223 GLU B CB 4849 C CG . GLU B 195 ? 0.7287 0.8722 0.7826 -0.1875 0.0279 -0.0510 223 GLU B CG 4850 C CD . GLU B 195 ? 0.9582 1.0937 0.9820 -0.2066 0.0384 -0.0659 223 GLU B CD 4851 O OE1 . GLU B 195 ? 1.0185 1.1517 1.0245 -0.2077 0.0321 -0.0543 223 GLU B OE1 4852 O OE2 . GLU B 195 ? 1.0761 1.2075 1.0959 -0.2218 0.0535 -0.0910 223 GLU B OE2 4853 N N . ARG B 196 ? 0.2945 0.4694 0.4328 -0.1211 0.0027 0.0002 224 ARG B N 4854 C CA . ARG B 196 ? 0.2741 0.4580 0.4278 -0.1094 0.0005 0.0115 224 ARG B CA 4855 C C . ARG B 196 ? 0.2677 0.4521 0.4386 -0.0989 0.0015 0.0081 224 ARG B C 4856 O O . ARG B 196 ? 0.3092 0.4866 0.4855 -0.0990 -0.0022 0.0061 224 ARG B O 4857 C CB . ARG B 196 ? 0.3663 0.5480 0.5241 -0.1118 -0.0088 0.0257 224 ARG B CB 4858 C CG . ARG B 196 ? 0.4410 0.6202 0.5878 -0.1220 -0.0153 0.0313 224 ARG B CG 4859 C CD . ARG B 196 ? 0.4076 0.5996 0.5593 -0.1187 -0.0114 0.0336 224 ARG B CD 4860 N NE . ARG B 196 ? 0.6608 0.8475 0.7975 -0.1302 -0.0188 0.0368 224 ARG B NE 4861 C CZ . ARG B 196 ? 0.6605 0.8567 0.7976 -0.1301 -0.0170 0.0386 224 ARG B CZ 4862 N NH1 . ARG B 196 ? 0.4904 0.7040 0.6432 -0.1181 -0.0061 0.0370 224 ARG B NH1 4863 N NH2 . ARG B 196 ? 0.6949 0.8817 0.8154 -0.1430 -0.0273 0.0425 224 ARG B NH2 4864 N N . TRP B 197 ? 0.2560 0.4474 0.4354 -0.0907 0.0050 0.0078 225 TRP B N 4865 C CA . TRP B 197 ? 0.2561 0.4434 0.4504 -0.0827 0.0027 0.0029 225 TRP B CA 4866 C C . TRP B 197 ? 0.2436 0.4366 0.4431 -0.0758 0.0033 0.0101 225 TRP B C 4867 O O . TRP B 197 ? 0.2318 0.4354 0.4264 -0.0768 0.0083 0.0169 225 TRP B O 4868 C CB . TRP B 197 ? 0.2638 0.4491 0.4663 -0.0827 0.0076 -0.0173 225 TRP B CB 4869 C CG . TRP B 197 ? 0.2578 0.4507 0.4570 -0.0810 0.0174 -0.0263 225 TRP B CG 4870 C CD1 . TRP B 197 ? 0.2605 0.4576 0.4403 -0.0892 0.0251 -0.0291 225 TRP B CD1 4871 C CD2 . TRP B 197 ? 0.2501 0.4453 0.4652 -0.0709 0.0193 -0.0341 225 TRP B CD2 4872 N NE1 . TRP B 197 ? 0.2538 0.4570 0.4354 -0.0847 0.0340 -0.0392 225 TRP B NE1 4873 C CE2 . TRP B 197 ? 0.2458 0.4489 0.4506 -0.0726 0.0312 -0.0429 225 TRP B CE2 4874 C CE3 . TRP B 197 ? 0.2491 0.4379 0.4855 -0.0618 0.0103 -0.0344 225 TRP B CE3 4875 C CZ2 . TRP B 197 ? 0.2371 0.4442 0.4542 -0.0633 0.0369 -0.0534 225 TRP B CZ2 4876 C CZ3 . TRP B 197 ? 0.2424 0.4332 0.4919 -0.0532 0.0132 -0.0437 225 TRP B CZ3 4877 C CH2 . TRP B 197 ? 0.2347 0.4359 0.4753 -0.0531 0.0277 -0.0537 225 TRP B CH2 4878 N N . GLY B 198 ? 0.2476 0.4327 0.4588 -0.0701 -0.0029 0.0081 226 GLY B N 4879 C CA . GLY B 198 ? 0.2410 0.4273 0.4554 -0.0653 -0.0041 0.0143 226 GLY B CA 4880 C C . GLY B 198 ? 0.2539 0.4242 0.4817 -0.0613 -0.0170 0.0109 226 GLY B C 4881 O O . GLY B 198 ? 0.2654 0.4258 0.5018 -0.0624 -0.0247 0.0056 226 GLY B O 4882 N N . PHE B 199 ? 0.2521 0.4198 0.4842 -0.0568 -0.0204 0.0135 227 PHE B N 4883 C CA . PHE B 199 ? 0.2676 0.4162 0.5144 -0.0536 -0.0375 0.0115 227 PHE B CA 4884 C C . PHE B 199 ? 0.2843 0.4157 0.5163 -0.0629 -0.0507 0.0287 227 PHE B C 4885 O O . PHE B 199 ? 0.2812 0.4172 0.4928 -0.0715 -0.0436 0.0411 227 PHE B O 4886 C CB . PHE B 199 ? 0.2626 0.4114 0.5192 -0.0460 -0.0384 0.0075 227 PHE B CB 4887 C CG . PHE B 199 ? 0.2503 0.4116 0.5233 -0.0377 -0.0258 -0.0137 227 PHE B CG 4888 C CD1 . PHE B 199 ? 0.2580 0.4120 0.5592 -0.0344 -0.0307 -0.0346 227 PHE B CD1 4889 C CD2 . PHE B 199 ? 0.2318 0.4120 0.4937 -0.0352 -0.0084 -0.0146 227 PHE B CD2 4890 C CE1 . PHE B 199 ? 0.2501 0.4136 0.5650 -0.0305 -0.0165 -0.0578 227 PHE B CE1 4891 C CE2 . PHE B 199 ? 0.2243 0.4132 0.4964 -0.0299 0.0041 -0.0353 227 PHE B CE2 4892 C CZ . PHE B 199 ? 0.2345 0.4143 0.5315 -0.0285 0.0012 -0.0579 227 PHE B CZ 4893 N N . CYS B 200 ? 0.2084 0.3783 0.5219 -0.0669 -0.0794 0.0178 228 CYS B N 4894 C CA . CYS B 200 ? 0.2492 0.4060 0.5474 -0.1006 -0.0850 0.0273 228 CYS B CA 4895 C C . CYS B 200 ? 0.2848 0.4101 0.5483 -0.1136 -0.0944 0.0409 228 CYS B C 4896 O O . CYS B 200 ? 0.2896 0.3930 0.5575 -0.1029 -0.1124 0.0493 228 CYS B O 4897 C CB . CYS B 200 ? 0.2852 0.4158 0.5859 -0.1098 -0.1002 0.0320 228 CYS B CB 4898 S SG . CYS B 200 ? 0.3513 0.5157 0.6727 -0.0960 -0.0827 0.0133 228 CYS B SG 4899 N N . PRO B 201 ? 0.2699 0.3936 0.4990 -0.1375 -0.0822 0.0428 229 PRO B N 4900 C CA . PRO B 201 ? 0.3149 0.4053 0.5038 -0.1547 -0.0912 0.0560 229 PRO B CA 4901 C C . PRO B 201 ? 0.3726 0.4160 0.5496 -0.1638 -0.1197 0.0726 229 PRO B C 4902 O O . PRO B 201 ? 0.4500 0.4796 0.6286 -0.1736 -0.1267 0.0754 229 PRO B O 4903 C CB . PRO B 201 ? 0.3442 0.4417 0.5004 -0.1818 -0.0713 0.0534 229 PRO B CB 4904 C CG . PRO B 201 ? 0.3398 0.4531 0.5148 -0.1868 -0.0654 0.0468 229 PRO B CG 4905 C CD . PRO B 201 ? 0.2762 0.4213 0.4992 -0.1548 -0.0633 0.0350 229 PRO B CD 4906 N N . ILE B 202 ? 0.3880 0.4059 0.5529 -0.1611 -0.1370 0.0840 230 ILE B N 4907 C CA . ILE B 202 ? 0.5816 0.5518 0.7286 -0.1732 -0.1651 0.1024 230 ILE B CA 4908 C C . ILE B 202 ? 0.6877 0.6310 0.7842 -0.1976 -0.1697 0.1148 230 ILE B C 4909 O O . ILE B 202 ? 0.6035 0.5632 0.6862 -0.1977 -0.1549 0.1089 230 ILE B O 4910 C CB . ILE B 202 ? 0.6203 0.5806 0.8033 -0.1475 -0.1874 0.1071 230 ILE B CB 4911 C CG1 . ILE B 202 ? 0.6789 0.6536 0.8697 -0.1315 -0.1861 0.1052 230 ILE B CG1 4912 C CG2 . ILE B 202 ? 0.5276 0.5124 0.7567 -0.1254 -0.1817 0.0940 230 ILE B CG2 4913 C CD1 . ILE B 202 ? 0.7633 0.7279 0.9877 -0.1089 -0.2085 0.1114 230 ILE B CD1 4914 N N . LYS B 203 ? 0.5863 0.4872 0.6522 -0.2189 -0.1889 0.1313 231 LYS B N 4915 C CA . LYS B 203 ? 0.6633 0.5331 0.6772 -0.2385 -0.1976 0.1449 231 LYS B CA 4916 C C . LYS B 203 ? 0.7752 0.6179 0.7967 -0.2236 -0.2282 0.1592 231 LYS B C 4917 O O . LYS B 203 ? 0.8721 0.6977 0.9104 -0.2139 -0.2463 0.1660 231 LYS B O 4918 C CB . LYS B 203 ? 0.7254 0.5720 0.6942 -0.2653 -0.1949 0.1517 231 LYS B CB 4919 C CG . LYS B 203 ? 0.6755 0.5500 0.6336 -0.2822 -0.1635 0.1381 231 LYS B CG 4920 C CD . LYS B 203 ? 0.8084 0.6633 0.7346 -0.3042 -0.1618 0.1434 231 LYS B CD 4921 C CE . LYS B 203 ? 0.7891 0.6764 0.7088 -0.3196 -0.1294 0.1292 231 LYS B CE 4922 N NZ . LYS B 203 ? 1.0201 0.8862 0.8925 -0.3466 -0.1253 0.1355 231 LYS B NZ 4923 N N . SER B 204 ? 0.7333 0.5743 0.7451 -0.2213 -0.2338 0.1629 232 SER B N 4924 C CA . SER B 204 ? 0.8982 0.7160 0.9144 -0.2099 -0.2637 0.1772 232 SER B CA 4925 C C . SER B 204 ? 1.0396 0.8502 1.0221 -0.2204 -0.2663 0.1820 232 SER B C 4926 O O . SER B 204 ? 1.0832 0.9056 1.0407 -0.2350 -0.2439 0.1735 232 SER B O 4927 C CB . SER B 204 ? 0.8031 0.6382 0.8809 -0.1779 -0.2721 0.1725 232 SER B CB 4928 O OG . SER B 204 ? 0.8438 0.7131 0.9472 -0.1657 -0.2541 0.1583 232 SER B OG 4929 N N . ASN B 205 ? 1.0012 0.7950 0.9850 -0.2134 -0.2942 0.1943 233 ASN B N 4930 C CA . ASN B 205 ? 1.0356 0.8229 0.9930 -0.2209 -0.3014 0.1988 233 ASN B CA 4931 C C . ASN B 205 ? 0.8825 0.6922 0.8823 -0.1977 -0.3007 0.1929 233 ASN B C 4932 O O . ASN B 205 ? 0.8079 0.6140 0.7909 -0.2022 -0.3074 0.1957 233 ASN B O 4933 C CB . ASN B 205 ? 1.1651 0.9269 1.1020 -0.2314 -0.3334 0.2115 233 ASN B CB 4934 C CG . ASN B 205 ? 1.3788 1.1159 1.2694 -0.2555 -0.3351 0.2184 233 ASN B CG 4935 O OD1 . ASN B 205 ? 1.4542 1.1797 1.2916 -0.2795 -0.3238 0.2191 233 ASN B OD1 4936 N ND2 . ASN B 205 ? 1.4513 1.1804 1.3621 -0.2500 -0.3480 0.2222 233 ASN B ND2 4937 N N . ASP B 206 ? 1.0238 0.8567 1.0777 -0.1736 -0.2929 0.1841 234 ASP B N 4938 C CA . ASP B 206 ? 0.9266 0.7812 1.0214 -0.1496 -0.2844 0.1752 234 ASP B CA 4939 C C . ASP B 206 ? 0.7726 0.6606 0.8585 -0.1525 -0.2583 0.1582 234 ASP B C 4940 O O . ASP B 206 ? 0.7408 0.6446 0.8192 -0.1578 -0.2343 0.1466 234 ASP B O 4941 C CB . ASP B 206 ? 0.9714 0.8425 1.1220 -0.1226 -0.2741 0.1624 234 ASP B CB 4942 C CG . ASP B 206 ? 0.9263 0.8260 1.1092 -0.0958 -0.2521 0.1445 234 ASP B CG 4943 O OD1 . ASP B 206 ? 0.7892 0.7207 0.9785 -0.0853 -0.2326 0.1327 234 ASP B OD1 4944 O OD2 . ASP B 206 ? 0.9974 0.8913 1.1982 -0.0874 -0.2536 0.1401 234 ASP B OD2 4945 N N . CYS B 207 ? 0.8867 0.7804 0.9670 -0.1486 -0.2579 0.1567 235 CYS B N 4946 C CA . CYS B 207 ? 0.6350 0.5594 0.7151 -0.1408 -0.2287 0.1389 235 CYS B CA 4947 C C . CYS B 207 ? 0.6683 0.6239 0.8009 -0.1083 -0.2225 0.1287 235 CYS B C 4948 O O . CYS B 207 ? 0.7881 0.7672 0.9238 -0.1006 -0.2041 0.1165 235 CYS B O 4949 C CB . CYS B 207 ? 0.5571 0.4631 0.5865 -0.1616 -0.2277 0.1422 235 CYS B CB 4950 S SG . CYS B 207 ? 1.0016 0.8738 0.9645 -0.2007 -0.2261 0.1508 235 CYS B SG 4951 N N . GLU B 208 ? 0.7405 0.6878 0.9037 -0.0881 -0.2236 0.1289 236 GLU B N 4952 C CA . GLU B 208 ? 0.8015 0.7661 0.9950 -0.0620 -0.2047 0.1139 236 GLU B CA 4953 C C . GLU B 208 ? 0.6049 0.6048 0.8183 -0.0441 -0.1790 0.0963 236 GLU B C 4954 O O . GLU B 208 ? 0.5882 0.6058 0.8086 -0.0291 -0.1609 0.0839 236 GLU B O 4955 C CB . GLU B 208 ? 1.0400 0.9892 1.2533 -0.0542 -0.2087 0.1127 236 GLU B CB 4956 C CG . GLU B 208 ? 1.2288 1.1650 1.4407 -0.0564 -0.2169 0.1159 236 GLU B CG 4957 C CD . GLU B 208 ? 1.4596 1.3648 1.6455 -0.0806 -0.2439 0.1345 236 GLU B CD 4958 O OE1 . GLU B 208 ? 1.5411 1.4292 1.7123 -0.0958 -0.2580 0.1450 236 GLU B OE1 4959 O OE2 . GLU B 208 ? 1.5353 1.4322 1.7121 -0.0862 -0.2510 0.1384 236 GLU B OE2 4960 N N . THR B 209 ? 0.6598 0.6695 0.8802 -0.0466 -0.1764 0.0944 237 THR B N 4961 C CA . THR B 209 ? 0.4423 0.4838 0.6805 -0.0300 -0.1509 0.0767 237 THR B CA 4962 C C . THR B 209 ? 0.3299 0.3940 0.5672 -0.0455 -0.1473 0.0752 237 THR B C 4963 O O . THR B 209 ? 0.3690 0.4188 0.5932 -0.0681 -0.1612 0.0850 237 THR B O 4964 C CB . THR B 209 ? 0.5799 0.6161 0.8321 -0.0156 -0.1428 0.0686 237 THR B CB 4965 O OG1 . THR B 209 ? 0.5255 0.5466 0.7825 -0.0271 -0.1593 0.0785 237 THR B OG1 4966 C CG2 . THR B 209 ? 0.5989 0.6195 0.8512 -0.0081 -0.1432 0.0669 237 THR B CG2 4967 N N . PHE B 210 ? 0.2741 0.3708 0.5200 -0.0364 -0.1244 0.0611 238 PHE B N 4968 C CA . PHE B 210 ? 0.2718 0.3872 0.5041 -0.0514 -0.1065 0.0540 238 PHE B CA 4969 C C . PHE B 210 ? 0.3201 0.4111 0.5017 -0.0759 -0.1051 0.0597 238 PHE B C 4970 O O . PHE B 210 ? 0.3543 0.4471 0.5089 -0.0930 -0.0887 0.0551 238 PHE B O 4971 C CB . PHE B 210 ? 0.2914 0.4089 0.5268 -0.0602 -0.1038 0.0527 238 PHE B CB 4972 C CG . PHE B 210 ? 0.3037 0.4334 0.5729 -0.0374 -0.1028 0.0459 238 PHE B CG 4973 C CD1 . PHE B 210 ? 0.2135 0.3619 0.4830 -0.0136 -0.0793 0.0296 238 PHE B CD1 4974 C CD2 . PHE B 210 ? 0.4627 0.5696 0.7351 -0.0404 -0.1179 0.0530 238 PHE B CD2 4975 C CE1 . PHE B 210 ? 0.2057 0.3496 0.4710 0.0018 -0.0715 0.0217 238 PHE B CE1 4976 C CE2 . PHE B 210 ? 0.3982 0.5042 0.6798 -0.0208 -0.1089 0.0435 238 PHE B CE2 4977 C CZ . PHE B 210 ? 0.2352 0.3595 0.5100 -0.0018 -0.0853 0.0278 238 PHE B CZ 4978 N N . TRP B 211 ? 0.2958 0.3655 0.4640 -0.0782 -0.1209 0.0688 239 TRP B N 4979 C CA . TRP B 211 ? 0.3690 0.4130 0.4867 -0.1017 -0.1214 0.0743 239 TRP B CA 4980 C C . TRP B 211 ? 0.3712 0.4106 0.4897 -0.0931 -0.1291 0.0760 239 TRP B C 4981 O O . TRP B 211 ? 0.3104 0.3564 0.4651 -0.0740 -0.1431 0.0793 239 TRP B O 4982 C CB . TRP B 211 ? 0.5077 0.5127 0.5924 -0.1266 -0.1440 0.0913 239 TRP B CB 4983 C CG . TRP B 211 ? 0.5554 0.5611 0.6333 -0.1390 -0.1363 0.0903 239 TRP B CG 4984 C CD1 . TRP B 211 ? 0.4853 0.4939 0.5934 -0.1309 -0.1457 0.0930 239 TRP B CD1 4985 C CD2 . TRP B 211 ? 0.4918 0.4964 0.5315 -0.1618 -0.1161 0.0852 239 TRP B CD2 4986 N NE1 . TRP B 211 ? 0.4792 0.4879 0.5695 -0.1482 -0.1337 0.0905 239 TRP B NE1 4987 C CE2 . TRP B 211 ? 0.5111 0.5185 0.5603 -0.1676 -0.1153 0.0860 239 TRP B CE2 4988 C CE3 . TRP B 211 ? 0.5441 0.5455 0.5427 -0.1783 -0.0977 0.0794 239 TRP B CE3 4989 C CZ2 . TRP B 211 ? 0.5437 0.5530 0.5642 -0.1897 -0.0969 0.0819 239 TRP B CZ2 4990 C CZ3 . TRP B 211 ? 0.5798 0.5830 0.5498 -0.1996 -0.0786 0.0747 239 TRP B CZ3 4991 C CH2 . TRP B 211 ? 0.6305 0.6386 0.6123 -0.2054 -0.0784 0.0763 239 TRP B CH2 4992 N N . ASP B 212 ? 0.4915 0.5198 0.5697 -0.1080 -0.1186 0.0731 240 ASP B N 4993 C CA . ASP B 212 ? 0.5137 0.5274 0.5790 -0.1085 -0.1292 0.0773 240 ASP B CA 4994 C C . ASP B 212 ? 0.7274 0.7020 0.7359 -0.1395 -0.1421 0.0890 240 ASP B C 4995 O O . ASP B 212 ? 0.8711 0.8379 0.8415 -0.1594 -0.1266 0.0851 240 ASP B O 4996 C CB . ASP B 212 ? 0.4619 0.4965 0.5289 -0.0971 -0.1038 0.0614 240 ASP B CB 4997 C CG . ASP B 212 ? 0.3407 0.4121 0.4614 -0.0668 -0.0931 0.0514 240 ASP B CG 4998 O OD1 . ASP B 212 ? 0.3362 0.4119 0.4883 -0.0506 -0.1082 0.0561 240 ASP B OD1 4999 O OD2 . ASP B 212 ? 0.3929 0.4896 0.5242 -0.0595 -0.0695 0.0388 240 ASP B OD2 5000 N N . LYS B 213 ? 0.6018 0.5527 0.6050 -0.1442 -0.1706 0.1036 241 LYS B N 5001 C CA . LYS B 213 ? 0.7271 0.6386 0.6755 -0.1740 -0.1873 0.1167 241 LYS B CA 5002 C C . LYS B 213 ? 0.7924 0.6952 0.7102 -0.1812 -0.1809 0.1114 241 LYS B C 5003 O O . LYS B 213 ? 0.6313 0.5451 0.5766 -0.1640 -0.1860 0.1093 241 LYS B O 5004 C CB . LYS B 213 ? 0.8155 0.7045 0.7754 -0.1764 -0.2253 0.1375 241 LYS B CB 5005 C CG . LYS B 213 ? 1.0604 0.9069 0.9629 -0.2082 -0.2466 0.1537 241 LYS B CG 5006 C CD . LYS B 213 ? 1.2113 1.0355 1.1307 -0.2063 -0.2789 0.1742 241 LYS B CD 5007 C CE . LYS B 213 ? 1.4930 1.2744 1.3570 -0.2377 -0.2949 0.1891 241 LYS B CE 5008 N NZ . LYS B 213 ? 1.6242 1.3960 1.5168 -0.2325 -0.3129 0.1949 241 LYS B NZ 5009 N N . ASP B 214 ? 0.6848 0.5669 0.5449 -0.2071 -0.1688 0.1086 242 ASP B N 5010 C CA . ASP B 214 ? 0.7700 0.6323 0.5895 -0.2207 -0.1688 0.1067 242 ASP B CA 5011 C C . ASP B 214 ? 0.8204 0.6483 0.6182 -0.2379 -0.2070 0.1283 242 ASP B C 5012 O O . ASP B 214 ? 1.0392 0.8404 0.8012 -0.2613 -0.2205 0.1409 242 ASP B O 5013 C CB . ASP B 214 ? 0.9073 0.7597 0.6723 -0.2428 -0.1407 0.0949 242 ASP B CB 5014 C CG . ASP B 214 ? 1.0698 0.8874 0.7746 -0.2680 -0.1468 0.0976 242 ASP B CG 5015 O OD1 . ASP B 214 ? 1.1139 0.9199 0.8215 -0.2657 -0.1682 0.1049 242 ASP B OD1 5016 O OD2 . ASP B 214 ? 1.1898 0.9922 0.8427 -0.2912 -0.1285 0.0913 242 ASP B OD2 5017 N N . GLN B 215 ? 0.7544 0.5826 0.5726 -0.2272 -0.2245 0.1328 243 GLN B N 5018 C CA . GLN B 215 ? 0.9323 0.7370 0.7513 -0.2346 -0.2629 0.1544 243 GLN B CA 5019 C C . GLN B 215 ? 1.0835 0.8472 0.8373 -0.2654 -0.2711 0.1643 243 GLN B C 5020 O O . GLN B 215 ? 1.1637 0.9020 0.9153 -0.2750 -0.2901 0.1808 243 GLN B O 5021 C CB . GLN B 215 ? 0.9475 0.7684 0.8176 -0.2079 -0.2673 0.1541 243 GLN B CB 5022 C CG . GLN B 215 ? 0.8833 0.7396 0.8208 -0.1759 -0.2597 0.1478 243 GLN B CG 5023 C CD . GLN B 215 ? 0.9599 0.8079 0.9249 -0.1699 -0.2705 0.1587 243 GLN B CD 5024 O OE1 . GLN B 215 ? 1.0099 0.8745 0.9974 -0.1598 -0.2635 0.1550 243 GLN B OE1 5025 N NE2 . GLN B 215 ? 0.9114 0.7344 0.8767 -0.1779 -0.2875 0.1701 243 GLN B NE2 5026 N N . LEU B 216 ? 0.9263 0.6821 0.6310 -0.2829 -0.2549 0.1511 244 LEU B N 5027 C CA . LEU B 216 ? 1.1747 0.8909 0.8146 -0.3131 -0.2587 0.1588 244 LEU B CA 5028 C C . LEU B 216 ? 1.3257 1.0209 0.9297 -0.3372 -0.2597 0.1667 244 LEU B C 5029 O O . LEU B 216 ? 1.5273 1.1973 1.1084 -0.3543 -0.2738 0.1748 244 LEU B O 5030 C CB . LEU B 216 ? 1.1296 0.8421 0.7250 -0.3250 -0.2353 0.1394 244 LEU B CB 5031 C CG . LEU B 216 ? 0.9067 0.6373 0.5345 -0.3047 -0.2330 0.1292 244 LEU B CG 5032 C CD1 . LEU B 216 ? 0.8734 0.6098 0.4776 -0.3037 -0.1940 0.1051 244 LEU B CD1 5033 C CD2 . LEU B 216 ? 0.9753 0.6847 0.6033 -0.3069 -0.2548 0.1452 244 LEU B CD2 5034 N N . THR B 217 ? 1.2609 0.9758 0.8690 -0.3341 -0.2427 0.1574 245 THR B N 5035 C CA . THR B 217 ? 1.3880 1.0891 0.9650 -0.3540 -0.2402 0.1624 245 THR B CA 5036 C C . THR B 217 ? 1.2392 0.9546 0.8672 -0.3358 -0.2571 0.1729 245 THR B C 5037 O O . THR B 217 ? 1.2382 0.9691 0.9218 -0.3107 -0.2724 0.1788 245 THR B O 5038 C CB . THR B 217 ? 1.2513 0.9646 0.8039 -0.3612 -0.1970 0.1432 245 THR B CB 5039 O OG1 . THR B 217 ? 0.9653 0.7224 0.5799 -0.3287 -0.1743 0.1277 245 THR B OG1 5040 C CG2 . THR B 217 ? 1.3284 1.0284 0.8315 -0.3760 -0.1788 0.1302 245 THR B CG2 5041 N N . ASP B 218 ? 1.2362 0.9459 0.8453 -0.3481 -0.2530 0.1744 246 ASP B N 5042 C CA . ASP B 218 ? 1.2908 1.0128 0.9435 -0.3324 -0.2628 0.1817 246 ASP B CA 5043 C C . ASP B 218 ? 1.1159 0.8651 0.7991 -0.3223 -0.2301 0.1691 246 ASP B C 5044 O O . ASP B 218 ? 1.1434 0.9022 0.8577 -0.3125 -0.2338 0.1726 246 ASP B O 5045 C CB . ASP B 218 ? 1.5339 1.2336 1.1547 -0.3524 -0.2805 0.1901 246 ASP B CB 5046 C CG . ASP B 218 ? 1.7151 1.3939 1.3368 -0.3570 -0.3105 0.1995 246 ASP B CG 5047 O OD1 . ASP B 218 ? 1.6930 1.3800 1.3575 -0.3373 -0.3193 0.2015 246 ASP B OD1 5048 O OD2 . ASP B 218 ? 1.8370 1.4919 1.4214 -0.3792 -0.3205 0.2045 246 ASP B OD2 5049 N N . SER B 219 ? 1.1983 0.9687 0.8777 -0.3178 -0.1973 0.1492 247 SER B N 5050 C CA . SER B 219 ? 1.0910 0.8953 0.7922 -0.3070 -0.1624 0.1309 247 SER B CA 5051 C C . SER B 219 ? 0.8926 0.7364 0.6663 -0.2695 -0.1575 0.1218 247 SER B C 5052 O O . SER B 219 ? 0.8102 0.6645 0.6108 -0.2502 -0.1633 0.1188 247 SER B O 5053 C CB . SER B 219 ? 1.1644 0.9750 0.8292 -0.3172 -0.1284 0.1125 247 SER B CB 5054 O OG . SER B 219 ? 1.3784 1.1538 0.9736 -0.3535 -0.1291 0.1193 247 SER B OG 5055 N N . CYS B 220 ? 0.9387 0.8043 0.7422 -0.2608 -0.1461 0.1170 248 CYS B N 5056 C CA . CYS B 220 ? 0.7441 0.6477 0.6124 -0.2276 -0.1387 0.1072 248 CYS B CA 5057 C C . CYS B 220 ? 0.6371 0.5754 0.5160 -0.2207 -0.1014 0.0871 248 CYS B C 5058 O O . CYS B 220 ? 0.6480 0.5830 0.4949 -0.2415 -0.0845 0.0834 248 CYS B O 5059 C CB . CYS B 220 ? 0.6916 0.5924 0.5935 -0.2197 -0.1606 0.1190 248 CYS B CB 5060 S SG . CYS B 220 ? 0.9695 0.8346 0.8702 -0.2226 -0.2050 0.1423 248 CYS B SG 5061 N N . TYR B 221 ? 0.5643 0.5369 0.4898 -0.1914 -0.0892 0.0744 249 TYR B N 5062 C CA . TYR B 221 ? 0.4876 0.4943 0.4255 -0.1816 -0.0548 0.0550 249 TYR B CA 5063 C C . TYR B 221 ? 0.3876 0.4306 0.3861 -0.1523 -0.0511 0.0482 249 TYR B C 5064 O O . TYR B 221 ? 0.3558 0.4018 0.3882 -0.1330 -0.0690 0.0533 249 TYR B O 5065 C CB . TYR B 221 ? 0.4929 0.5010 0.4144 -0.1777 -0.0395 0.0443 249 TYR B CB 5066 C CG . TYR B 221 ? 0.6267 0.5983 0.4845 -0.2077 -0.0415 0.0492 249 TYR B CG 5067 C CD1 . TYR B 221 ? 0.7265 0.6644 0.5615 -0.2177 -0.0703 0.0641 249 TYR B CD1 5068 C CD2 . TYR B 221 ? 0.6779 0.6490 0.4982 -0.2269 -0.0149 0.0391 249 TYR B CD2 5069 C CE1 . TYR B 221 ? 0.8675 0.7707 0.6411 -0.2467 -0.0734 0.0690 249 TYR B CE1 5070 C CE2 . TYR B 221 ? 0.8712 0.8076 0.6298 -0.2556 -0.0158 0.0429 249 TYR B CE2 5071 C CZ . TYR B 221 ? 0.9698 0.8713 0.7035 -0.2660 -0.0456 0.0581 249 TYR B CZ 5072 O OH . TYR B 221 ? 1.1323 0.9981 0.8010 -0.2962 -0.0474 0.0620 249 TYR B OH 5073 N N . GLN B 222 ? 0.4315 0.5027 0.4432 -0.1500 -0.0274 0.0365 250 GLN B N 5074 C CA . GLN B 222 ? 0.3446 0.4522 0.4097 -0.1245 -0.0210 0.0284 250 GLN B CA 5075 C C . GLN B 222 ? 0.3204 0.4619 0.3947 -0.1157 0.0116 0.0105 250 GLN B C 5076 O O . GLN B 222 ? 0.4375 0.5852 0.4916 -0.1322 0.0304 0.0046 250 GLN B O 5077 C CB . GLN B 222 ? 0.3976 0.5047 0.4736 -0.1319 -0.0300 0.0346 250 GLN B CB 5078 C CG . GLN B 222 ? 0.2782 0.4226 0.4043 -0.1094 -0.0219 0.0254 250 GLN B CG 5079 C CD . GLN B 222 ? 0.3049 0.4454 0.4357 -0.1207 -0.0293 0.0305 250 GLN B CD 5080 O OE1 . GLN B 222 ? 0.3159 0.4688 0.4367 -0.1348 -0.0124 0.0248 250 GLN B OE1 5081 N NE2 . GLN B 222 ? 0.3307 0.4534 0.4774 -0.1150 -0.0546 0.0413 250 GLN B NE2 5082 N N . PHE B 223 ? 0.3154 0.4787 0.4205 -0.0903 0.0182 0.0022 251 PHE B N 5083 C CA . PHE B 223 ? 0.2911 0.4863 0.4094 -0.0784 0.0471 -0.0141 251 PHE B CA 5084 C C . PHE B 223 ? 0.2166 0.4493 0.3851 -0.0567 0.0512 -0.0199 251 PHE B C 5085 O O . PHE B 223 ? 0.1542 0.3982 0.3555 -0.0336 0.0429 -0.0199 251 PHE B O 5086 C CB . PHE B 223 ? 0.2809 0.4720 0.3957 -0.0658 0.0520 -0.0191 251 PHE B CB 5087 C CG . PHE B 223 ? 0.4268 0.5845 0.4892 -0.0880 0.0537 -0.0172 251 PHE B CG 5088 C CD1 . PHE B 223 ? 0.4051 0.5259 0.4396 -0.1034 0.0282 -0.0026 251 PHE B CD1 5089 C CD2 . PHE B 223 ? 0.4151 0.5781 0.4562 -0.0934 0.0807 -0.0304 251 PHE B CD2 5090 C CE1 . PHE B 223 ? 0.5504 0.6397 0.5339 -0.1253 0.0287 -0.0007 251 PHE B CE1 5091 C CE2 . PHE B 223 ? 0.5058 0.6367 0.4958 -0.1150 0.0831 -0.0297 251 PHE B CE2 5092 C CZ . PHE B 223 ? 0.5661 0.6598 0.5257 -0.1317 0.0568 -0.0147 251 PHE B CZ 5093 N N . ASN B 224 ? 0.2174 0.4713 0.3917 -0.0642 0.0658 -0.0258 252 ASN B N 5094 C CA . ASN B 224 ? 0.1643 0.4456 0.3794 -0.0455 0.0659 -0.0291 252 ASN B CA 5095 C C . ASN B 224 ? 0.1602 0.4309 0.3681 -0.0222 0.0785 -0.0313 252 ASN B C 5096 O O . ASN B 224 ? 0.1769 0.4506 0.3799 -0.0227 0.0888 -0.0333 252 ASN B O 5097 C CB . ASN B 224 ? 0.1840 0.4728 0.3982 -0.0645 0.0668 -0.0277 252 ASN B CB 5098 C CG . ASN B 224 ? 0.2301 0.4805 0.4179 -0.0853 0.0436 -0.0130 252 ASN B CG 5099 O OD1 . ASN B 224 ? 0.2080 0.4467 0.4124 -0.0759 0.0219 -0.0049 252 ASN B OD1 5100 N ND2 . ASN B 224 ? 0.3070 0.5360 0.4529 -0.1131 0.0482 -0.0091 252 ASN B ND2 5101 N N . PHE B 225 ? 0.1900 0.4443 0.3995 -0.0017 0.0723 -0.0261 253 PHE B N 5102 C CA . PHE B 225 ? 0.2233 0.4629 0.4229 0.0147 0.0805 -0.0224 253 PHE B CA 5103 C C . PHE B 225 ? 0.1779 0.4160 0.3839 0.0232 0.0780 -0.0192 253 PHE B C 5104 O O . PHE B 225 ? 0.2592 0.5022 0.4630 0.0276 0.0866 -0.0250 253 PHE B O 5105 C CB . PHE B 225 ? 0.1632 0.3846 0.3590 0.0279 0.0743 -0.0157 253 PHE B CB 5106 C CG . PHE B 225 ? 0.1861 0.4152 0.3757 0.0194 0.0792 -0.0270 253 PHE B CG 5107 C CD1 . PHE B 225 ? 0.2340 0.4664 0.4069 0.0133 0.0964 -0.0369 253 PHE B CD1 5108 C CD2 . PHE B 225 ? 0.1659 0.3980 0.3654 0.0164 0.0663 -0.0267 253 PHE B CD2 5109 C CE1 . PHE B 225 ? 0.2713 0.5063 0.4306 0.0009 0.1041 -0.0473 253 PHE B CE1 5110 C CE2 . PHE B 225 ? 0.1907 0.4328 0.3848 0.0041 0.0714 -0.0371 253 PHE B CE2 5111 C CZ . PHE B 225 ? 0.2416 0.4829 0.4108 -0.0055 0.0928 -0.0476 253 PHE B CZ 5112 N N . GLN B 226 ? 0.2545 0.4916 0.4698 0.0241 0.0660 -0.0148 254 GLN B N 5113 C CA . GLN B 226 ? 0.1841 0.4242 0.4041 0.0297 0.0632 -0.0177 254 GLN B CA 5114 C C . GLN B 226 ? 0.2186 0.4738 0.4449 0.0211 0.0690 -0.0204 254 GLN B C 5115 O O . GLN B 226 ? 0.2249 0.4850 0.4567 0.0242 0.0666 -0.0227 254 GLN B O 5116 C CB . GLN B 226 ? 0.1626 0.3931 0.3847 0.0347 0.0494 -0.0129 254 GLN B CB 5117 C CG . GLN B 226 ? 0.1533 0.3695 0.3682 0.0417 0.0433 -0.0098 254 GLN B CG 5118 C CD . GLN B 226 ? 0.2474 0.4592 0.4565 0.0481 0.0500 -0.0140 254 GLN B CD 5119 O OE1 . GLN B 226 ? 0.3490 0.5666 0.5600 0.0508 0.0552 -0.0185 254 GLN B OE1 5120 N NE2 . GLN B 226 ? 0.1654 0.3686 0.3689 0.0501 0.0493 -0.0117 254 GLN B NE2 5121 N N . SER B 227 ? 0.1559 0.4183 0.3802 0.0083 0.0770 -0.0199 255 SER B N 5122 C CA . SER B 227 ? 0.1751 0.4508 0.4043 -0.0029 0.0823 -0.0215 255 SER B CA 5123 C C . SER B 227 ? 0.2460 0.5329 0.4698 -0.0047 0.0976 -0.0288 255 SER B C 5124 O O . SER B 227 ? 0.3776 0.6613 0.5912 -0.0024 0.1063 -0.0316 255 SER B O 5125 C CB . SER B 227 ? 0.1956 0.4834 0.4249 -0.0254 0.0815 -0.0262 255 SER B CB 5126 O OG . SER B 227 ? 0.1626 0.4429 0.4021 -0.0221 0.0653 -0.0205 255 SER B OG 5127 N N . THR B 228 ? 0.1951 0.4955 0.4270 -0.0080 0.1003 -0.0319 256 THR B N 5128 C CA . THR B 228 ? 0.3370 0.6518 0.5683 -0.0110 0.1144 -0.0383 256 THR B CA 5129 C C . THR B 228 ? 0.4548 0.7803 0.6872 -0.0287 0.1192 -0.0376 256 THR B C 5130 O O . THR B 228 ? 0.4098 0.7441 0.6542 -0.0299 0.1140 -0.0377 256 THR B O 5131 C CB . THR B 228 ? 0.2593 0.5822 0.5026 0.0023 0.1125 -0.0421 256 THR B CB 5132 O OG1 . THR B 228 ? 0.2226 0.5480 0.4757 0.0027 0.1016 -0.0402 256 THR B OG1 5133 C CG2 . THR B 228 ? 0.1971 0.5069 0.4374 0.0169 0.1076 -0.0413 256 THR B CG2 5134 N N . LEU B 229 ? 0.4306 0.7593 0.6476 -0.0461 0.1306 -0.0419 257 LEU B N 5135 C CA . LEU B 229 ? 0.4136 0.7543 0.6241 -0.0717 0.1363 -0.0465 257 LEU B CA 5136 C C . LEU B 229 ? 0.5611 0.9067 0.7532 -0.0852 0.1547 -0.0533 257 LEU B C 5137 O O . LEU B 229 ? 0.5122 0.8496 0.6908 -0.0816 0.1617 -0.0562 257 LEU B O 5138 C CB . LEU B 229 ? 0.2882 0.6228 0.4885 -0.0923 0.1278 -0.0451 257 LEU B CB 5139 C CG . LEU B 229 ? 0.2042 0.5356 0.4231 -0.0859 0.1096 -0.0390 257 LEU B CG 5140 C CD1 . LEU B 229 ? 0.2245 0.5500 0.4313 -0.1147 0.1025 -0.0356 257 LEU B CD1 5141 C CD2 . LEU B 229 ? 0.1997 0.5397 0.4365 -0.0778 0.1066 -0.0376 257 LEU B CD2 5142 N N . SER B 230 ? 0.4116 0.7696 0.6025 -0.1012 0.1626 -0.0560 258 SER B N 5143 C CA . SER B 230 ? 0.5236 0.8847 0.6941 -0.1180 0.1805 -0.0624 258 SER B CA 5144 C C . SER B 230 ? 0.5712 0.9146 0.7053 -0.1453 0.1830 -0.0633 258 SER B C 5145 O O . SER B 230 ? 0.5173 0.8501 0.6450 -0.1552 0.1704 -0.0577 258 SER B O 5146 C CB . SER B 230 ? 0.5536 0.9314 0.7312 -0.1304 0.1875 -0.0640 258 SER B CB 5147 O OG . SER B 230 ? 0.5489 0.9222 0.7138 -0.1559 0.1815 -0.0614 258 SER B OG 5148 N N . TRP B 231 ? 0.4877 0.8255 0.5962 -0.1580 0.1987 -0.0690 259 TRP B N 5149 C CA . TRP B 231 ? 0.5021 0.8158 0.5670 -0.1861 0.2010 -0.0680 259 TRP B CA 5150 C C . TRP B 231 ? 0.5414 0.8450 0.5869 -0.2159 0.1930 -0.0602 259 TRP B C 5151 O O . TRP B 231 ? 0.4978 0.7779 0.5178 -0.2334 0.1815 -0.0515 259 TRP B O 5152 C CB . TRP B 231 ? 0.6131 0.9209 0.6521 -0.1957 0.2200 -0.0760 259 TRP B CB 5153 C CG . TRP B 231 ? 0.6905 0.9670 0.6786 -0.2226 0.2213 -0.0743 259 TRP B CG 5154 C CD1 . TRP B 231 ? 0.7027 0.9617 0.6720 -0.2186 0.2224 -0.0764 259 TRP B CD1 5155 C CD2 . TRP B 231 ? 0.8263 1.0807 0.7717 -0.2586 0.2195 -0.0681 259 TRP B CD2 5156 N NE1 . TRP B 231 ? 0.7681 0.9947 0.6844 -0.2503 0.2210 -0.0718 259 TRP B NE1 5157 C CE2 . TRP B 231 ? 0.8521 1.0738 0.7519 -0.2749 0.2182 -0.0657 259 TRP B CE2 5158 C CE3 . TRP B 231 ? 0.9234 1.1793 0.8625 -0.2790 0.2173 -0.0633 259 TRP B CE3 5159 C CZ2 . TRP B 231 ? 1.0440 1.2322 0.8908 -0.3098 0.2126 -0.0571 259 TRP B CZ2 5160 C CZ3 . TRP B 231 ? 1.0486 1.2721 0.9364 -0.3133 0.2128 -0.0551 259 TRP B CZ3 5161 C CH2 . TRP B 231 ? 1.1160 1.3050 0.9576 -0.3280 0.2095 -0.0515 259 TRP B CH2 5162 N N . ARG B 232 ? 0.6390 0.9570 0.6946 -0.2231 0.1973 -0.0612 260 ARG B N 5163 C CA . ARG B 232 ? 0.6309 0.9357 0.6667 -0.2516 0.1886 -0.0526 260 ARG B CA 5164 C C . ARG B 232 ? 0.4896 0.7922 0.5465 -0.2445 0.1680 -0.0437 260 ARG B C 5165 O O . ARG B 232 ? 0.4621 0.7387 0.4946 -0.2665 0.1542 -0.0322 260 ARG B O 5166 C CB . ARG B 232 ? 0.8291 1.1518 0.8738 -0.2599 0.1984 -0.0564 260 ARG B CB 5167 C CG . ARG B 232 ? 1.0920 1.4163 1.1156 -0.2699 0.2187 -0.0647 260 ARG B CG 5168 C CD . ARG B 232 ? 1.2950 1.6287 1.3142 -0.2899 0.2266 -0.0655 260 ARG B CD 5169 N NE . ARG B 232 ? 1.4960 1.8284 1.4914 -0.3027 0.2461 -0.0731 260 ARG B NE 5170 C CZ . ARG B 232 ? 1.6494 1.9524 1.5943 -0.3312 0.2492 -0.0707 260 ARG B CZ 5171 N NH1 . ARG B 232 ? 1.6456 1.9163 1.5579 -0.3495 0.2324 -0.0589 260 ARG B NH1 5172 N NH2 . ARG B 232 ? 1.8022 2.1059 1.7285 -0.3412 0.2680 -0.0790 260 ARG B NH2 5173 N N . GLU B 233 ? 0.6243 0.9493 0.7248 -0.2134 0.1637 -0.0475 261 GLU B N 5174 C CA . GLU B 233 ? 0.4600 0.7830 0.5828 -0.2038 0.1445 -0.0408 261 GLU B CA 5175 C C . GLU B 233 ? 0.4586 0.7613 0.5667 -0.2068 0.1342 -0.0345 261 GLU B C 5176 O O . GLU B 233 ? 0.4049 0.6901 0.5086 -0.2198 0.1164 -0.0238 261 GLU B O 5177 C CB . GLU B 233 ? 0.4895 0.8342 0.6545 -0.1687 0.1416 -0.0453 261 GLU B CB 5178 C CG . GLU B 233 ? 0.6046 0.9670 0.7885 -0.1671 0.1443 -0.0474 261 GLU B CG 5179 C CD . GLU B 233 ? 0.5649 0.9397 0.7816 -0.1339 0.1397 -0.0483 261 GLU B CD 5180 O OE1 . GLU B 233 ? 0.5040 0.8866 0.7264 -0.1191 0.1495 -0.0514 261 GLU B OE1 5181 O OE2 . GLU B 233 ? 0.6061 0.9787 0.8402 -0.1234 0.1252 -0.0443 261 GLU B OE2 5182 N N . ALA B 234 ? 0.5067 0.8088 0.6072 -0.1953 0.1435 -0.0401 262 ALA B N 5183 C CA . ALA B 234 ? 0.4283 0.7109 0.5117 -0.2005 0.1349 -0.0341 262 ALA B CA 5184 C C . ALA B 234 ? 0.4557 0.7033 0.4895 -0.2389 0.1284 -0.0221 262 ALA B C 5185 O O . ALA B 234 ? 0.4452 0.6685 0.4683 -0.2500 0.1084 -0.0090 262 ALA B O 5186 C CB . ALA B 234 ? 0.4360 0.7220 0.5164 -0.1826 0.1479 -0.0433 262 ALA B CB 5187 N N . TRP B 235 ? 0.4356 0.6752 0.4375 -0.2587 0.1416 -0.0248 263 TRP B N 5188 C CA . TRP B 235 ? 0.5577 0.7569 0.5074 -0.2935 0.1319 -0.0114 263 TRP B CA 5189 C C . TRP B 235 ? 0.5092 0.6911 0.4652 -0.3039 0.1074 0.0035 263 TRP B C 5190 O O . TRP B 235 ? 0.5264 0.6711 0.4598 -0.3162 0.0843 0.0192 263 TRP B O 5191 C CB . TRP B 235 ? 0.7693 0.9663 0.6886 -0.3115 0.1497 -0.0180 263 TRP B CB 5192 C CG . TRP B 235 ? 0.9268 1.0779 0.7871 -0.3451 0.1383 -0.0043 263 TRP B CG 5193 C CD1 . TRP B 235 ? 1.0116 1.1327 0.8243 -0.3593 0.1391 -0.0021 263 TRP B CD1 5194 C CD2 . TRP B 235 ? 1.0074 1.1336 0.8490 -0.3665 0.1212 0.0097 263 TRP B CD2 5195 N NE1 . TRP B 235 ? 1.1160 1.1957 0.8812 -0.3876 0.1226 0.0127 263 TRP B NE1 5196 C CE2 . TRP B 235 ? 1.0904 1.1719 0.8727 -0.3919 0.1113 0.0205 263 TRP B CE2 5197 C CE3 . TRP B 235 ? 1.0520 1.1876 0.9205 -0.3659 0.1125 0.0139 263 TRP B CE3 5198 C CZ2 . TRP B 235 ? 1.1993 1.2457 0.9496 -0.4145 0.0924 0.0357 263 TRP B CZ2 5199 C CZ3 . TRP B 235 ? 1.1540 1.2538 0.9906 -0.3895 0.0951 0.0286 263 TRP B CZ3 5200 C CH2 . TRP B 235 ? 1.2460 1.3018 1.0246 -0.4125 0.0849 0.0396 263 TRP B CH2 5201 N N . ALA B 236 ? 0.5642 0.7699 0.5525 -0.2966 0.1095 -0.0009 264 ALA B N 5202 C CA . ALA B 236 ? 0.5718 0.7606 0.5694 -0.3036 0.0865 0.0112 264 ALA B CA 5203 C C . ALA B 236 ? 0.5177 0.6984 0.5396 -0.2883 0.0642 0.0184 264 ALA B C 5204 O O . ALA B 236 ? 0.5399 0.6838 0.5499 -0.2977 0.0381 0.0335 264 ALA B O 5205 C CB . ALA B 236 ? 0.5760 0.7963 0.6091 -0.2939 0.0941 0.0026 264 ALA B CB 5206 N N . SER B 237 ? 0.5425 0.7547 0.5990 -0.2612 0.0724 0.0077 265 SER B N 5207 C CA . SER B 237 ? 0.4313 0.6328 0.5123 -0.2343 0.0495 0.0122 265 SER B CA 5208 C C . SER B 237 ? 0.4767 0.6311 0.5209 -0.2413 0.0291 0.0262 265 SER B C 5209 O O . SER B 237 ? 0.5277 0.6559 0.5787 -0.2338 0.0021 0.0374 265 SER B O 5210 C CB . SER B 237 ? 0.3041 0.5458 0.4246 -0.2025 0.0631 -0.0020 265 SER B CB 5211 O OG . SER B 237 ? 0.2745 0.5072 0.4185 -0.1775 0.0424 0.0020 265 SER B OG 5212 N N . CYS B 238 ? 0.4258 0.5694 0.4315 -0.2555 0.0413 0.0253 266 CYS B N 5213 C CA . CYS B 238 ? 0.5299 0.6275 0.4967 -0.2656 0.0205 0.0395 266 CYS B CA 5214 C C . CYS B 238 ? 0.6095 0.6667 0.5419 -0.2944 0.0016 0.0565 266 CYS B C 5215 O O . CYS B 238 ? 0.6107 0.6308 0.5319 -0.2951 -0.0274 0.0719 266 CYS B O 5216 C CB . CYS B 238 ? 0.5180 0.6123 0.4490 -0.2749 0.0388 0.0334 266 CYS B CB 5217 S SG . CYS B 238 ? 0.4834 0.6209 0.4514 -0.2419 0.0620 0.0137 266 CYS B SG 5218 N N . GLU B 239 ? 0.5279 0.5923 0.4456 -0.3177 0.0169 0.0543 267 GLU B N 5219 C CA . GLU B 239 ? 0.6714 0.6969 0.5563 -0.3443 -0.0004 0.0702 267 GLU B CA 5220 C C . GLU B 239 ? 0.5815 0.5928 0.4978 -0.3320 -0.0285 0.0800 267 GLU B C 5221 O O . GLU B 239 ? 0.6420 0.6093 0.5351 -0.3382 -0.0552 0.0964 267 GLU B O 5222 C CB . GLU B 239 ? 0.8031 0.8447 0.6742 -0.3595 0.0224 0.0617 267 GLU B CB 5223 C CG . GLU B 239 ? 1.1600 1.1602 0.9877 -0.3834 0.0076 0.0757 267 GLU B CG 5224 C CD . GLU B 239 ? 1.2477 1.2389 1.1004 -0.3790 -0.0110 0.0830 267 GLU B CD 5225 O OE1 . GLU B 239 ? 1.1433 1.1704 1.0420 -0.3647 -0.0012 0.0722 267 GLU B OE1 5226 O OE2 . GLU B 239 ? 1.3660 1.3139 1.1923 -0.3887 -0.0357 0.0992 267 GLU B OE2 5227 N N . GLN B 240 ? 0.6169 0.6648 0.5863 -0.3066 -0.0231 0.0684 268 GLN B N 5228 C CA . GLN B 240 ? 0.5311 0.5678 0.5323 -0.2919 -0.0467 0.0744 268 GLN B CA 5229 C C . GLN B 240 ? 0.5741 0.5855 0.5832 -0.2727 -0.0729 0.0841 268 GLN B C 5230 O O . GLN B 240 ? 0.5056 0.4973 0.5335 -0.2640 -0.0959 0.0922 268 GLN B O 5231 C CB . GLN B 240 ? 0.4769 0.5611 0.5303 -0.2691 -0.0326 0.0580 268 GLN B CB 5232 C CG . GLN B 240 ? 0.6080 0.7153 0.6607 -0.2888 -0.0127 0.0507 268 GLN B CG 5233 C CD . GLN B 240 ? 0.5380 0.7015 0.6353 -0.2686 0.0089 0.0321 268 GLN B CD 5234 O OE1 . GLN B 240 ? 0.3490 0.5325 0.4784 -0.2389 0.0080 0.0249 268 GLN B OE1 5235 N NE2 . GLN B 240 ? 0.5228 0.7066 0.6202 -0.2767 0.0269 0.0241 268 GLN B NE2 5236 N N . GLN B 241 ? 0.6799 0.6931 0.6784 -0.2647 -0.0694 0.0824 269 GLN B N 5237 C CA . GLN B 241 ? 0.6533 0.6452 0.6596 -0.2480 -0.0936 0.0916 269 GLN B CA 5238 C C . GLN B 241 ? 0.9427 0.8864 0.8990 -0.2716 -0.1136 0.1100 269 GLN B C 5239 O O . GLN B 241 ? 1.0069 0.9329 0.9641 -0.2612 -0.1332 0.1183 269 GLN B O 5240 C CB . GLN B 241 ? 0.4773 0.5009 0.5068 -0.2228 -0.0800 0.0787 269 GLN B CB 5241 C CG . GLN B 241 ? 0.3955 0.4624 0.4779 -0.1959 -0.0673 0.0635 269 GLN B CG 5242 C CD . GLN B 241 ? 0.3256 0.4227 0.4295 -0.1718 -0.0534 0.0514 269 GLN B CD 5243 O OE1 . GLN B 241 ? 0.2989 0.3961 0.4282 -0.1494 -0.0666 0.0529 269 GLN B OE1 5244 N NE2 . GLN B 241 ? 0.3222 0.4454 0.4171 -0.1763 -0.0260 0.0393 269 GLN B NE2 5245 N N . GLY B 242 ? 0.6780 0.6011 0.5899 -0.3042 -0.1090 0.1167 270 GLY B N 5246 C CA . GLY B 242 ? 0.8498 0.7301 0.7082 -0.3229 -0.1250 0.1320 270 GLY B CA 5247 C C . GLY B 242 ? 0.8381 0.7218 0.6699 -0.3297 -0.1129 0.1276 270 GLY B C 5248 O O . GLY B 242 ? 0.8966 0.7510 0.7022 -0.3319 -0.1326 0.1388 270 GLY B O 5249 N N . ALA B 243 ? 0.6885 0.6101 0.5277 -0.3274 -0.0801 0.1093 271 ALA B N 5250 C CA . ALA B 243 ? 0.6483 0.5804 0.4714 -0.3238 -0.0640 0.0997 271 ALA B CA 5251 C C . ALA B 243 ? 0.6954 0.6492 0.4955 -0.3417 -0.0285 0.0859 271 ALA B C 5252 O O . ALA B 243 ? 0.7439 0.7019 0.5376 -0.3592 -0.0191 0.0859 271 ALA B O 5253 C CB . ALA B 243 ? 0.5854 0.5492 0.4609 -0.2863 -0.0618 0.0885 271 ALA B CB 5254 N N . ASP B 244 ? 0.6239 0.5915 0.4125 -0.3375 -0.0080 0.0736 272 ASP B N 5255 C CA . ASP B 244 ? 0.6508 0.6424 0.4226 -0.3510 0.0280 0.0583 272 ASP B CA 5256 C C . ASP B 244 ? 0.5947 0.6208 0.3943 -0.3247 0.0497 0.0398 272 ASP B C 5257 O O . ASP B 244 ? 0.5677 0.5911 0.3865 -0.3022 0.0356 0.0409 272 ASP B O 5258 C CB . ASP B 244 ? 0.8509 0.8066 0.5533 -0.3845 0.0307 0.0642 272 ASP B CB 5259 C CG . ASP B 244 ? 1.0517 1.0249 0.7405 -0.3969 0.0569 0.0515 272 ASP B CG 5260 O OD1 . ASP B 244 ? 0.9677 0.9849 0.6922 -0.3826 0.0842 0.0341 272 ASP B OD1 5261 O OD2 . ASP B 244 ? 1.2790 1.2224 0.9232 -0.4198 0.0488 0.0589 272 ASP B OD2 5262 N N . LEU B 245 ? 0.6396 0.6987 0.4434 -0.3274 0.0841 0.0230 273 LEU B N 5263 C CA . LEU B 245 ? 0.5927 0.6819 0.4188 -0.3044 0.1065 0.0053 273 LEU B CA 5264 C C . LEU B 245 ? 0.6552 0.7126 0.4386 -0.3108 0.1027 0.0069 273 LEU B C 5265 O O . LEU B 245 ? 0.8033 0.8223 0.5307 -0.3402 0.0950 0.0170 273 LEU B O 5266 C CB . LEU B 245 ? 0.6265 0.7508 0.4616 -0.3046 0.1409 -0.0129 273 LEU B CB 5267 C CG . LEU B 245 ? 0.5380 0.7057 0.4335 -0.2816 0.1459 -0.0202 273 LEU B CG 5268 C CD1 . LEU B 245 ? 0.6637 0.8550 0.5682 -0.2768 0.1682 -0.0351 273 LEU B CD1 5269 C CD2 . LEU B 245 ? 0.4479 0.6427 0.3905 -0.2492 0.1458 -0.0266 273 LEU B CD2 5270 N N . LEU B 246 ? 0.5825 0.6543 0.3918 -0.2837 0.1065 -0.0024 274 LEU B N 5271 C CA . LEU B 246 ? 0.6338 0.6758 0.4067 -0.2876 0.1010 -0.0012 274 LEU B CA 5272 C C . LEU B 246 ? 0.8277 0.8530 0.5423 -0.3171 0.1241 -0.0081 274 LEU B C 5273 O O . LEU B 246 ? 0.8484 0.9005 0.5717 -0.3147 0.1537 -0.0247 274 LEU B O 5274 C CB . LEU B 246 ? 0.5523 0.6177 0.3633 -0.2545 0.1090 -0.0136 274 LEU B CB 5275 C CG . LEU B 246 ? 0.5929 0.6318 0.3713 -0.2557 0.1070 -0.0158 274 LEU B CG 5276 C CD1 . LEU B 246 ? 0.6200 0.6164 0.3704 -0.2680 0.0707 0.0040 274 LEU B CD1 5277 C CD2 . LEU B 246 ? 0.5158 0.5805 0.3370 -0.2215 0.1164 -0.0283 274 LEU B CD2 5278 N N . SER B 247 ? 0.7187 0.6983 0.3777 -0.3412 0.1062 0.0043 275 SER B N 5279 C CA . SER B 247 ? 0.8731 0.8300 0.4770 -0.3617 0.1218 -0.0045 275 SER B CA 5280 C C . SER B 247 ? 0.8580 0.7902 0.4371 -0.3597 0.1133 -0.0031 275 SER B C 5281 O O . SER B 247 ? 0.8224 0.7338 0.4062 -0.3541 0.0800 0.0125 275 SER B O 5282 C CB . SER B 247 ? 0.9962 0.9182 0.5514 -0.3928 0.1069 0.0065 275 SER B CB 5283 O OG . SER B 247 ? 0.9796 0.8641 0.5115 -0.4047 0.0700 0.0298 275 SER B OG 5284 N N . ILE B 248 ? 0.8927 0.8277 0.4613 -0.3539 0.1362 -0.0225 276 ILE B N 5285 C CA . ILE B 248 ? 0.9211 0.8307 0.4627 -0.3534 0.1298 -0.0236 276 ILE B CA 5286 C C . ILE B 248 ? 1.1493 1.0221 0.6335 -0.3804 0.1297 -0.0267 276 ILE B C 5287 O O . ILE B 248 ? 1.3925 1.2737 0.8738 -0.3807 0.1560 -0.0450 276 ILE B O 5288 C CB . ILE B 248 ? 0.8540 0.7931 0.4334 -0.3232 0.1542 -0.0435 276 ILE B CB 5289 C CG1 . ILE B 248 ? 0.7159 0.6952 0.3629 -0.2933 0.1516 -0.0421 276 ILE B CG1 5290 C CG2 . ILE B 248 ? 0.8844 0.7950 0.4350 -0.3230 0.1465 -0.0445 276 ILE B CG2 5291 C CD1 . ILE B 248 ? 0.6883 0.7068 0.3798 -0.2643 0.1815 -0.0632 276 ILE B CD1 5292 N N . THR B 249 ? 1.0034 0.8356 0.4456 -0.4024 0.0985 -0.0082 277 THR B N 5293 C CA . THR B 249 ? 1.1225 0.9187 0.5101 -0.4318 0.0937 -0.0082 277 THR B CA 5294 C C . THR B 249 ? 1.2705 1.0370 0.6242 -0.4382 0.0896 -0.0125 277 THR B C 5295 O O . THR B 249 ? 1.5515 1.2879 0.8601 -0.4629 0.0879 -0.0142 277 THR B O 5296 C CB . THR B 249 ? 1.1585 0.9278 0.5227 -0.4529 0.0594 0.0147 277 THR B CB 5297 O OG1 . THR B 249 ? 1.1506 0.8930 0.5039 -0.4535 0.0248 0.0321 277 THR B OG1 5298 C CG2 . THR B 249 ? 1.0870 0.8838 0.4913 -0.4427 0.0572 0.0229 277 THR B CG2 5299 N N . GLU B 250 ? 1.2499 1.0238 0.6238 -0.4175 0.0882 -0.0146 278 GLU B N 5300 C CA . GLU B 250 ? 1.3243 1.0667 0.6669 -0.4242 0.0764 -0.0142 278 GLU B CA 5301 C C . GLU B 250 ? 1.1537 0.9171 0.5269 -0.3961 0.0938 -0.0282 278 GLU B C 5302 O O . GLU B 250 ? 1.0504 0.8487 0.4698 -0.3716 0.1021 -0.0303 278 GLU B O 5303 C CB . GLU B 250 ? 1.3002 1.0137 0.6271 -0.4351 0.0320 0.0112 278 GLU B CB 5304 C CG . GLU B 250 ? 1.6636 1.3433 0.9492 -0.4661 0.0105 0.0236 278 GLU B CG 5305 C CD . GLU B 250 ? 1.6851 1.3417 0.9693 -0.4708 -0.0350 0.0483 278 GLU B CD 5306 O OE1 . GLU B 250 ? 1.2439 0.9151 0.5640 -0.4488 -0.0490 0.0569 278 GLU B OE1 5307 O OE2 . GLU B 250 ? 1.9601 1.5853 1.2109 -0.4955 -0.0571 0.0590 278 GLU B OE2 5308 N N . ILE B 251 ? 1.1997 0.9408 0.5475 -0.4001 0.0988 -0.0375 279 ILE B N 5309 C CA . ILE B 251 ? 1.1450 0.8975 0.5166 -0.3752 0.1079 -0.0480 279 ILE B CA 5310 C C . ILE B 251 ? 1.0469 0.8019 0.4358 -0.3640 0.0778 -0.0306 279 ILE B C 5311 O O . ILE B 251 ? 0.9563 0.7394 0.3963 -0.3332 0.0841 -0.0375 279 ILE B O 5312 C CB . ILE B 251 ? 1.2570 0.9778 0.5923 -0.3859 0.1132 -0.0578 279 ILE B CB 5313 C CG1 . ILE B 251 ? 1.1856 0.9160 0.5454 -0.3599 0.1223 -0.0692 279 ILE B CG1 5314 C CG2 . ILE B 251 ? 1.3626 1.0414 0.6526 -0.4135 0.0784 -0.0391 279 ILE B CG2 5315 C CD1 . ILE B 251 ? 1.2188 0.9860 0.6235 -0.3322 0.1584 -0.0901 279 ILE B CD1 5316 N N . HIS B 252 ? 1.3404 1.0700 0.7072 -0.3825 0.0408 -0.0077 280 HIS B N 5317 C CA . HIS B 252 ? 1.2192 0.9557 0.6302 -0.3639 0.0062 0.0091 280 HIS B CA 5318 C C . HIS B 252 ? 1.0269 0.8066 0.5093 -0.3351 0.0095 0.0102 280 HIS B C 5319 O O . HIS B 252 ? 0.8301 0.6324 0.3685 -0.3059 0.0007 0.0108 280 HIS B O 5320 C CB . HIS B 252 ? 1.3472 1.0484 0.7226 -0.3898 -0.0341 0.0339 280 HIS B CB 5321 C CG . HIS B 252 ? 1.2349 0.9481 0.6651 -0.3704 -0.0691 0.0523 280 HIS B CG 5322 N ND1 . HIS B 252 ? 1.1485 0.8862 0.6245 -0.3567 -0.0748 0.0604 280 HIS B ND1 5323 C CD2 . HIS B 252 ? 1.2043 0.9094 0.6525 -0.3621 -0.0990 0.0633 280 HIS B CD2 5324 C CE1 . HIS B 252 ? 1.0388 0.7821 0.5582 -0.3401 -0.1060 0.0749 280 HIS B CE1 5325 N NE2 . HIS B 252 ? 1.1438 0.8691 0.6487 -0.3430 -0.1211 0.0773 280 HIS B NE2 5326 N N . GLU B 253 ? 1.2115 1.0022 0.6913 -0.3443 0.0214 0.0108 281 GLU B N 5327 C CA . GLU B 253 ? 1.0162 0.8463 0.5597 -0.3197 0.0246 0.0114 281 GLU B CA 5328 C C . GLU B 253 ? 0.8386 0.7070 0.4277 -0.2894 0.0556 -0.0096 281 GLU B C 5329 O O . GLU B 253 ? 0.7043 0.6012 0.3533 -0.2600 0.0490 -0.0087 281 GLU B O 5330 C CB . GLU B 253 ? 1.1164 0.9478 0.6418 -0.3397 0.0326 0.0155 281 GLU B CB 5331 C CG . GLU B 253 ? 0.9543 0.8146 0.5362 -0.3216 0.0234 0.0230 281 GLU B CG 5332 C CD . GLU B 253 ? 1.1107 0.9566 0.6649 -0.3480 0.0160 0.0356 281 GLU B CD 5333 O OE1 . GLU B 253 ? 1.2698 1.0981 0.7690 -0.3765 0.0329 0.0313 281 GLU B OE1 5334 O OE2 . GLU B 253 ? 0.9279 0.7788 0.5144 -0.3406 -0.0066 0.0496 281 GLU B OE2 5335 N N . GLN B 254 ? 1.1037 0.9730 0.6649 -0.2963 0.0898 -0.0287 282 GLN B N 5336 C CA . GLN B 254 ? 1.0303 0.9326 0.6326 -0.2675 0.1185 -0.0484 282 GLN B CA 5337 C C . GLN B 254 ? 0.8671 0.7682 0.4971 -0.2447 0.1032 -0.0472 282 GLN B C 5338 O O . GLN B 254 ? 0.6743 0.6081 0.3617 -0.2139 0.1081 -0.0521 282 GLN B O 5339 C CB . GLN B 254 ? 1.1062 1.0022 0.6683 -0.2803 0.1555 -0.0688 282 GLN B CB 5340 C CG . GLN B 254 ? 0.9962 0.9269 0.6054 -0.2490 0.1852 -0.0892 282 GLN B CG 5341 C CD . GLN B 254 ? 0.8964 0.8715 0.5594 -0.2317 0.1985 -0.0930 282 GLN B CD 5342 O OE1 . GLN B 254 ? 0.9293 0.9069 0.5824 -0.2476 0.2015 -0.0904 282 GLN B OE1 5343 N NE2 . GLN B 254 ? 0.7222 0.7318 0.4435 -0.1988 0.2043 -0.0987 282 GLN B NE2 5344 N N . THR B 255 ? 0.9942 0.8575 0.5842 -0.2608 0.0823 -0.0391 283 THR B N 5345 C CA . THR B 255 ? 0.9242 0.7845 0.5380 -0.2425 0.0663 -0.0369 283 THR B CA 5346 C C . THR B 255 ? 0.7358 0.6202 0.4105 -0.2197 0.0415 -0.0229 283 THR B C 5347 O O . THR B 255 ? 0.6369 0.5444 0.3587 -0.1915 0.0447 -0.0280 283 THR B O 5348 C CB . THR B 255 ? 1.0423 0.8573 0.6002 -0.2681 0.0447 -0.0284 283 THR B CB 5349 O OG1 . THR B 255 ? 1.3471 1.1399 0.8495 -0.2867 0.0711 -0.0447 283 THR B OG1 5350 C CG2 . THR B 255 ? 0.9235 0.7361 0.5076 -0.2513 0.0256 -0.0243 283 THR B CG2 5351 N N . TYR B 256 ? 1.0513 0.9292 0.7247 -0.2318 0.0167 -0.0051 284 TYR B N 5352 C CA . TYR B 256 ? 0.8797 0.7789 0.6100 -0.2107 -0.0060 0.0074 284 TYR B CA 5353 C C . TYR B 256 ? 0.7368 0.6792 0.5198 -0.1848 0.0157 -0.0032 284 TYR B C 5354 O O . TYR B 256 ? 0.6766 0.6429 0.5116 -0.1582 0.0094 -0.0024 284 TYR B O 5355 C CB . TYR B 256 ? 0.9907 0.8708 0.7066 -0.2297 -0.0360 0.0280 284 TYR B CB 5356 C CG . TYR B 256 ? 0.8066 0.7088 0.5805 -0.2088 -0.0560 0.0392 284 TYR B CG 5357 C CD1 . TYR B 256 ? 0.7218 0.6240 0.5270 -0.1945 -0.0816 0.0491 284 TYR B CD1 5358 C CD2 . TYR B 256 ? 0.6981 0.6212 0.4954 -0.2043 -0.0487 0.0393 284 TYR B CD2 5359 C CE1 . TYR B 256 ? 0.5768 0.4992 0.4354 -0.1750 -0.0981 0.0580 284 TYR B CE1 5360 C CE2 . TYR B 256 ? 0.6180 0.5595 0.4667 -0.1856 -0.0659 0.0482 284 TYR B CE2 5361 C CZ . TYR B 256 ? 0.5709 0.5119 0.4501 -0.1705 -0.0900 0.0572 284 TYR B CZ 5362 O OH . TYR B 256 ? 0.4383 0.3978 0.3686 -0.1516 -0.1049 0.0644 284 TYR B OH 5363 N N . ILE B 257 ? 0.7668 0.7204 0.5371 -0.1931 0.0410 -0.0130 285 ILE B N 5364 C CA . ILE B 257 ? 0.6248 0.6209 0.4438 -0.1695 0.0629 -0.0243 285 ILE B CA 5365 C C . ILE B 257 ? 0.6573 0.6708 0.5034 -0.1438 0.0797 -0.0384 285 ILE B C 5366 O O . ILE B 257 ? 0.6004 0.6421 0.4989 -0.1167 0.0773 -0.0390 285 ILE B O 5367 C CB . ILE B 257 ? 0.7555 0.7606 0.5531 -0.1851 0.0897 -0.0338 285 ILE B CB 5368 C CG1 . ILE B 257 ? 0.9996 0.9842 0.7662 -0.2129 0.0732 -0.0190 285 ILE B CG1 5369 C CG2 . ILE B 257 ? 0.5999 0.6508 0.4497 -0.1608 0.1113 -0.0454 285 ILE B CG2 5370 C CD1 . ILE B 257 ? 0.8997 0.8937 0.7042 -0.2035 0.0472 -0.0040 285 ILE B CD1 5371 N N . ASN B 258 ? 0.7577 0.7524 0.5664 -0.1526 0.0968 -0.0499 286 ASN B N 5372 C CA . ASN B 258 ? 0.6769 0.6846 0.5079 -0.1293 0.1148 -0.0641 286 ASN B CA 5373 C C . ASN B 258 ? 0.6239 0.6344 0.4899 -0.1095 0.0918 -0.0552 286 ASN B C 5374 O O . ASN B 258 ? 0.5140 0.5535 0.4273 -0.0819 0.0993 -0.0606 286 ASN B O 5375 C CB . ASN B 258 ? 0.7885 0.7668 0.5674 -0.1452 0.1323 -0.0764 286 ASN B CB 5376 C CG . ASN B 258 ? 0.9293 0.9185 0.6916 -0.1527 0.1667 -0.0924 286 ASN B CG 5377 O OD1 . ASN B 258 ? 0.9990 1.0177 0.7874 -0.1482 0.1759 -0.0930 286 ASN B OD1 5378 N ND2 . ASN B 258 ? 1.0558 1.0219 0.7754 -0.1644 0.1866 -0.1059 286 ASN B ND2 5379 N N . GLY B 259 ? 0.8820 0.8638 0.7267 -0.1238 0.0627 -0.0407 287 GLY B N 5380 C CA . GLY B 259 ? 0.8337 0.8205 0.7144 -0.1065 0.0401 -0.0312 287 GLY B CA 5381 C C . GLY B 259 ? 0.6940 0.7161 0.6318 -0.0845 0.0340 -0.0261 287 GLY B C 5382 O O . GLY B 259 ? 0.5199 0.5641 0.4999 -0.0592 0.0363 -0.0292 287 GLY B O 5383 N N . LEU B 260 ? 0.8503 0.8769 0.7880 -0.0946 0.0272 -0.0186 288 LEU B N 5384 C CA . LEU B 260 ? 0.6248 0.6814 0.6131 -0.0762 0.0198 -0.0136 288 LEU B CA 5385 C C . LEU B 260 ? 0.4958 0.5896 0.5201 -0.0531 0.0463 -0.0281 288 LEU B C 5386 O O . LEU B 260 ? 0.3841 0.5043 0.4549 -0.0318 0.0416 -0.0264 288 LEU B O 5387 C CB . LEU B 260 ? 0.6875 0.7364 0.6618 -0.0949 0.0083 -0.0034 288 LEU B CB 5388 C CG . LEU B 260 ? 0.6882 0.7628 0.7039 -0.0830 0.0030 0.0008 288 LEU B CG 5389 C CD1 . LEU B 260 ? 0.8242 0.8758 0.8201 -0.1041 -0.0205 0.0166 288 LEU B CD1 5390 C CD2 . LEU B 260 ? 0.6916 0.7959 0.7195 -0.0769 0.0323 -0.0132 288 LEU B CD2 5391 N N . LEU B 261 ? 0.5030 0.5997 0.5070 -0.0572 0.0739 -0.0423 289 LEU B N 5392 C CA . LEU B 261 ? 0.5092 0.6422 0.5477 -0.0362 0.0987 -0.0555 289 LEU B CA 5393 C C . LEU B 261 ? 0.5779 0.7191 0.6378 -0.0129 0.1079 -0.0637 289 LEU B C 5394 O O . LEU B 261 ? 0.4516 0.6216 0.5400 0.0059 0.1281 -0.0745 289 LEU B O 5395 C CB . LEU B 261 ? 0.4905 0.6265 0.5026 -0.0500 0.1258 -0.0676 289 LEU B CB 5396 C CG . LEU B 261 ? 0.6717 0.8128 0.6738 -0.0684 0.1258 -0.0632 289 LEU B CG 5397 C CD1 . LEU B 261 ? 0.8054 0.9465 0.7768 -0.0835 0.1550 -0.0765 289 LEU B CD1 5398 C CD2 . LEU B 261 ? 0.5527 0.7314 0.6062 -0.0502 0.1242 -0.0619 289 LEU B CD2 5399 N N . THR B 262 ? 0.7256 0.8418 0.7718 -0.0145 0.0936 -0.0587 290 THR B N 5400 C CA . THR B 262 ? 0.8217 0.9408 0.8821 0.0047 0.1033 -0.0666 290 THR B CA 5401 C C . THR B 262 ? 0.5555 0.7079 0.6710 0.0323 0.0997 -0.0644 290 THR B C 5402 O O . THR B 262 ? 0.3644 0.5245 0.5021 0.0351 0.0792 -0.0529 290 THR B O 5403 C CB . THR B 262 ? 1.0088 1.0935 1.0423 -0.0055 0.0868 -0.0606 290 THR B CB 5404 O OG1 . THR B 262 ? 1.0215 1.1015 1.0665 -0.0098 0.0567 -0.0442 290 THR B OG1 5405 C CG2 . THR B 262 ? 1.1976 1.2481 1.1722 -0.0325 0.0940 -0.0654 290 THR B CG2 5406 N N . GLY B 263 ? 0.6502 0.8014 0.7675 0.0503 0.1071 -0.0616 291 GLY B N 5407 C CA . GLY B 263 ? 0.5909 0.7388 0.7182 0.0677 0.0921 -0.0390 291 GLY B CA 5408 C C . GLY B 263 ? 0.5704 0.7214 0.7011 0.0675 0.0888 -0.0277 291 GLY B C 5409 O O . GLY B 263 ? 0.5309 0.6801 0.6725 0.0711 0.0794 -0.0219 291 GLY B O 5410 N N . TYR B 264 ? 0.5951 0.7604 0.7260 0.0587 0.1000 -0.0381 292 TYR B N 5411 C CA . TYR B 264 ? 0.4452 0.6142 0.5809 0.0597 0.0991 -0.0291 292 TYR B CA 5412 C C . TYR B 264 ? 0.4777 0.6522 0.6047 0.0618 0.1143 -0.0364 292 TYR B C 5413 O O . TYR B 264 ? 0.6960 0.8668 0.8048 0.0591 0.1255 -0.0451 292 TYR B O 5414 C CB . TYR B 264 ? 0.3720 0.5587 0.5192 0.0455 0.0971 -0.0364 292 TYR B CB 5415 C CG . TYR B 264 ? 0.4006 0.5904 0.5653 0.0445 0.0796 -0.0314 292 TYR B CG 5416 C CD1 . TYR B 264 ? 0.5327 0.7025 0.6967 0.0552 0.0657 -0.0140 292 TYR B CD1 5417 C CD2 . TYR B 264 ? 0.4435 0.6543 0.6194 0.0278 0.0764 -0.0424 292 TYR B CD2 5418 C CE1 . TYR B 264 ? 0.5185 0.6876 0.6906 0.0543 0.0488 -0.0073 292 TYR B CE1 5419 C CE2 . TYR B 264 ? 0.4549 0.6698 0.6532 0.0292 0.0544 -0.0351 292 TYR B CE2 5420 C CZ . TYR B 264 ? 0.4568 0.6487 0.6515 0.0453 0.0411 -0.0169 292 TYR B CZ 5421 O OH . TYR B 264 ? 0.3579 0.5475 0.5597 0.0458 0.0201 -0.0080 292 TYR B OH 5422 N N . SER B 265 ? 0.3078 0.4912 0.4486 0.0649 0.1136 -0.0356 293 SER B N 5423 C CA . SER B 265 ? 0.4463 0.6390 0.5860 0.0671 0.1261 -0.0415 293 SER B CA 5424 C C . SER B 265 ? 0.5111 0.7165 0.6582 0.0587 0.1276 -0.0418 293 SER B C 5425 O O . SER B 265 ? 0.4639 0.6740 0.6265 0.0601 0.1184 -0.0376 293 SER B O 5426 C CB . SER B 265 ? 0.5613 0.7538 0.7121 0.0782 0.1233 -0.0399 293 SER B CB 5427 O OG . SER B 265 ? 0.8955 1.0999 1.0495 0.0820 0.1355 -0.0450 293 SER B OG 5428 N N . SER B 266 ? 0.4280 0.6374 0.5611 0.0482 0.1392 -0.0471 294 SER B N 5429 C CA . SER B 266 ? 0.4310 0.6521 0.5694 0.0380 0.1407 -0.0467 294 SER B CA 5430 C C . SER B 266 ? 0.5510 0.7763 0.6717 0.0266 0.1572 -0.0540 294 SER B C 5431 O O . SER B 266 ? 0.6455 0.8632 0.7467 0.0210 0.1673 -0.0631 294 SER B O 5432 C CB . SER B 266 ? 0.3150 0.5347 0.4562 0.0287 0.1299 -0.0422 294 SER B CB 5433 O OG . SER B 266 ? 0.3250 0.5562 0.4771 0.0221 0.1275 -0.0401 294 SER B OG 5434 N N . THR B 267 ? 0.3745 0.6132 0.5027 0.0191 0.1608 -0.0546 295 THR B N 5435 C CA . THR B 267 ? 0.4833 0.7293 0.5971 0.0021 0.1765 -0.0641 295 THR B CA 5436 C C . THR B 267 ? 0.4200 0.6756 0.5361 -0.0170 0.1734 -0.0652 295 THR B C 5437 O O . THR B 267 ? 0.4727 0.7372 0.6101 -0.0087 0.1647 -0.0573 295 THR B O 5438 C CB . THR B 267 ? 0.5891 0.8484 0.7152 0.0117 0.1861 -0.0667 295 THR B CB 5439 O OG1 . THR B 267 ? 0.6399 0.8950 0.7693 0.0270 0.1879 -0.0695 295 THR B OG1 5440 C CG2 . THR B 267 ? 0.6234 0.8874 0.7326 -0.0039 0.2030 -0.0736 295 THR B CG2 5441 N N . LEU B 268 ? 0.4752 0.7259 0.5650 -0.0446 0.1806 -0.0733 296 LEU B N 5442 C CA . LEU B 268 ? 0.4111 0.6679 0.4985 -0.0654 0.1749 -0.0713 296 LEU B CA 5443 C C . LEU B 268 ? 0.5645 0.8169 0.6194 -0.0960 0.1884 -0.0764 296 LEU B C 5444 O O . LEU B 268 ? 0.7273 0.9625 0.7481 -0.1104 0.1995 -0.0822 296 LEU B O 5445 C CB . LEU B 268 ? 0.3578 0.6076 0.4392 -0.0752 0.1635 -0.0681 296 LEU B CB 5446 C CG . LEU B 268 ? 0.2560 0.5067 0.3654 -0.0490 0.1486 -0.0630 296 LEU B CG 5447 C CD1 . LEU B 268 ? 0.2830 0.5188 0.3745 -0.0470 0.1536 -0.0678 296 LEU B CD1 5448 C CD2 . LEU B 268 ? 0.2164 0.4756 0.3436 -0.0544 0.1317 -0.0562 296 LEU B CD2 5449 N N . TRP B 269 ? 0.3644 0.6285 0.4269 -0.1070 0.1861 -0.0731 297 TRP B N 5450 C CA . TRP B 269 ? 0.4658 0.7221 0.4944 -0.1393 0.1955 -0.0747 297 TRP B CA 5451 C C . TRP B 269 ? 0.5080 0.7369 0.4912 -0.1697 0.1908 -0.0692 297 TRP B C 5452 O O . TRP B 269 ? 0.4401 0.6654 0.4277 -0.1731 0.1758 -0.0603 297 TRP B O 5453 C CB . TRP B 269 ? 0.4474 0.7191 0.4927 -0.1465 0.1903 -0.0700 297 TRP B CB 5454 C CG . TRP B 269 ? 0.4357 0.7295 0.5142 -0.1262 0.1947 -0.0725 297 TRP B CG 5455 C CD1 . TRP B 269 ? 0.3549 0.6642 0.4677 -0.1105 0.1836 -0.0674 297 TRP B CD1 5456 C CD2 . TRP B 269 ? 0.6179 0.9190 0.6963 -0.1216 0.2107 -0.0790 297 TRP B CD2 5457 N NE1 . TRP B 269 ? 0.4388 0.7630 0.5702 -0.0976 0.1911 -0.0690 297 TRP B NE1 5458 C CE2 . TRP B 269 ? 0.6498 0.9715 0.7629 -0.1038 0.2079 -0.0759 297 TRP B CE2 5459 C CE3 . TRP B 269 ? 0.8154 1.1069 0.8671 -0.1314 0.2269 -0.0865 297 TRP B CE3 5460 C CZ2 . TRP B 269 ? 0.8381 1.1733 0.9620 -0.0955 0.2207 -0.0792 297 TRP B CZ2 5461 C CZ3 . TRP B 269 ? 1.0225 1.3288 1.0874 -0.1218 0.2402 -0.0911 297 TRP B CZ3 5462 C CH2 . TRP B 269 ? 0.9875 1.3164 1.0889 -0.1041 0.2370 -0.0869 297 TRP B CH2 5463 N N . ILE B 270 ? 0.4746 0.6817 0.4125 -0.1933 0.2016 -0.0723 298 ILE B N 5464 C CA . ILE B 270 ? 0.5437 0.7149 0.4260 -0.2279 0.1938 -0.0626 298 ILE B CA 5465 C C . ILE B 270 ? 0.7722 0.9331 0.6241 -0.2548 0.1993 -0.0612 298 ILE B C 5466 O O . ILE B 270 ? 0.7134 0.8982 0.5897 -0.2467 0.2112 -0.0690 298 ILE B O 5467 C CB . ILE B 270 ? 0.6008 0.7450 0.4472 -0.2315 0.1979 -0.0666 298 ILE B CB 5468 C CG1 . ILE B 270 ? 0.8478 0.9896 0.6799 -0.2318 0.2182 -0.0805 298 ILE B CG1 5469 C CG2 . ILE B 270 ? 0.5013 0.6596 0.3831 -0.2014 0.1950 -0.0702 298 ILE B CG2 5470 C CD1 . ILE B 270 ? 0.9395 1.0517 0.7334 -0.2376 0.2225 -0.0854 298 ILE B CD1 5471 N N . GLY B 271 ? 0.6437 0.7662 0.4407 -0.2871 0.1883 -0.0496 299 GLY B N 5472 C CA . GLY B 271 ? 0.7335 0.8412 0.4987 -0.3148 0.1881 -0.0450 299 GLY B CA 5473 C C . GLY B 271 ? 0.9687 1.0725 0.7093 -0.3246 0.2089 -0.0583 299 GLY B C 5474 O O . GLY B 271 ? 1.1462 1.2333 0.8531 -0.3507 0.2086 -0.0544 299 GLY B O 5475 N N . LEU B 272 ? 0.7965 0.9147 0.5547 -0.3038 0.2262 -0.0732 300 LEU B N 5476 C CA . LEU B 272 ? 0.8687 0.9812 0.6052 -0.3117 0.2460 -0.0857 300 LEU B CA 5477 C C . LEU B 272 ? 0.9194 1.0675 0.6933 -0.3007 0.2626 -0.0945 300 LEU B C 5478 O O . LEU B 272 ? 0.7869 0.9679 0.6136 -0.2713 0.2646 -0.0979 300 LEU B O 5479 C CB . LEU B 272 ? 0.8754 0.9830 0.6138 -0.2937 0.2543 -0.0954 300 LEU B CB 5480 C CG . LEU B 272 ? 1.1624 1.2562 0.8725 -0.3021 0.2730 -0.1077 300 LEU B CG 5481 C CD1 . LEU B 272 ? 1.2085 1.2584 0.8508 -0.3395 0.2658 -0.1018 300 LEU B CD1 5482 C CD2 . LEU B 272 ? 0.9729 1.0685 0.6996 -0.2768 0.2789 -0.1161 300 LEU B CD2 5483 N N . ASN B 273 ? 0.8831 1.0236 0.6287 -0.3247 0.2729 -0.0974 301 ASN B N 5484 C CA . ASN B 273 ? 0.9718 1.1449 0.7493 -0.3181 0.2881 -0.1044 301 ASN B CA 5485 C C . ASN B 273 ? 1.2917 1.4517 1.0311 -0.3434 0.3046 -0.1115 301 ASN B C 5486 O O . ASN B 273 ? 1.3704 1.4937 1.0552 -0.3715 0.2995 -0.1074 301 ASN B O 5487 C CB . ASN B 273 ? 0.9043 1.0922 0.7019 -0.3226 0.2760 -0.0947 301 ASN B CB 5488 C CG . ASN B 273 ? 0.9818 1.1376 0.7288 -0.3593 0.2644 -0.0835 301 ASN B CG 5489 O OD1 . ASN B 273 ? 1.1834 1.3398 0.9149 -0.3790 0.2726 -0.0849 301 ASN B OD1 5490 N ND2 . ASN B 273 ? 0.8414 0.9673 0.5613 -0.3686 0.2438 -0.0711 301 ASN B ND2 5491 N N . ASP B 274 ? 0.9962 1.1861 0.7647 -0.3333 0.3236 -0.1212 302 ASP B N 5492 C CA . ASP B 274 ? 1.2806 1.4676 1.0226 -0.3586 0.3392 -0.1264 302 ASP B CA 5493 C C . ASP B 274 ? 1.2506 1.4680 1.0251 -0.3584 0.3399 -0.1234 302 ASP B C 5494 O O . ASP B 274 ? 1.2216 1.4746 1.0429 -0.3354 0.3507 -0.1294 302 ASP B O 5495 C CB . ASP B 274 ? 1.4757 1.6698 1.2196 -0.3503 0.3629 -0.1409 302 ASP B CB 5496 C CG . ASP B 274 ? 1.4059 1.6342 1.2076 -0.3108 0.3693 -0.1464 302 ASP B CG 5497 O OD1 . ASP B 274 ? 1.1787 1.4286 1.0212 -0.2906 0.3570 -0.1398 302 ASP B OD1 5498 O OD2 . ASP B 274 ? 1.6119 1.8440 1.4167 -0.3002 0.3862 -0.1568 302 ASP B OD2 5499 N N . LEU B 275 ? 1.4975 1.6991 1.2445 -0.3854 0.3284 -0.1136 303 LEU B N 5500 C CA . LEU B 275 ? 1.4558 1.6835 1.2333 -0.3852 0.3255 -0.1092 303 LEU B CA 5501 C C . LEU B 275 ? 1.6989 1.9153 1.4405 -0.4198 0.3314 -0.1075 303 LEU B C 5502 O O . LEU B 275 ? 1.7885 2.0315 1.5502 -0.4206 0.3478 -0.1144 303 LEU B O 5503 C CB . LEU B 275 ? 1.1487 1.3736 0.9417 -0.3777 0.3013 -0.0965 303 LEU B CB 5504 C CG . LEU B 275 ? 0.8778 1.1403 0.7345 -0.3432 0.2980 -0.0976 303 LEU B CG 5505 C CD1 . LEU B 275 ? 0.9791 1.2715 0.8709 -0.3192 0.3175 -0.1098 303 LEU B CD1 5506 C CD2 . LEU B 275 ? 0.7285 0.9831 0.5978 -0.3243 0.2802 -0.0913 303 LEU B CD2 5507 N N . ASP B 276 ? 1.3315 1.5076 1.0199 -0.4483 0.3166 -0.0970 304 ASP B N 5508 C CA . ASP B 276 ? 1.6775 1.8377 1.3267 -0.4826 0.3192 -0.0935 304 ASP B CA 5509 C C . ASP B 276 ? 1.9639 2.1305 1.5990 -0.4926 0.3458 -0.1076 304 ASP B C 5510 O O . ASP B 276 ? 2.1853 2.3669 1.8221 -0.5068 0.3582 -0.1107 304 ASP B O 5511 C CB . ASP B 276 ? 1.7614 1.8716 1.3513 -0.5095 0.2967 -0.0790 304 ASP B CB 5512 C CG . ASP B 276 ? 1.6202 1.7232 1.2206 -0.5070 0.2704 -0.0626 304 ASP B CG 5513 O OD1 . ASP B 276 ? 1.4313 1.5588 1.0795 -0.4787 0.2658 -0.0628 304 ASP B OD1 5514 O OD2 . ASP B 276 ? 1.6963 1.7684 1.2577 -0.5330 0.2537 -0.0491 304 ASP B OD2 5515 N N . THR B 277 ? 1.5675 1.7224 1.1884 -0.4859 0.3552 -0.1162 305 THR B N 5516 C CA . THR B 277 ? 1.7871 1.9478 1.3967 -0.4925 0.3815 -0.1306 305 THR B CA 5517 C C . THR B 277 ? 1.8175 2.0004 1.4665 -0.4582 0.3941 -0.1419 305 THR B C 5518 O O . THR B 277 ? 1.6888 1.8520 1.3274 -0.4480 0.3853 -0.1410 305 THR B O 5519 C CB . THR B 277 ? 1.9063 2.0208 1.4457 -0.5253 0.3805 -0.1296 305 THR B CB 5520 O OG1 . THR B 277 ? 1.8429 1.9305 1.3641 -0.5173 0.3682 -0.1274 305 THR B OG1 5521 C CG2 . THR B 277 ? 1.8889 1.9761 1.3868 -0.5579 0.3626 -0.1153 305 THR B CG2 5522 N N . SER B 278 ? 1.6090 1.8314 1.3018 -0.4410 0.4138 -0.1515 306 SER B N 5523 C CA . SER B 278 ? 1.6181 1.8660 1.3574 -0.4039 0.4220 -0.1592 306 SER B CA 5524 C C . SER B 278 ? 1.6311 1.8548 1.3420 -0.4023 0.4311 -0.1679 306 SER B C 5525 O O . SER B 278 ? 1.9592 2.1670 1.6328 -0.4241 0.4472 -0.1757 306 SER B O 5526 C CB . SER B 278 ? 1.8612 2.1526 1.6455 -0.3903 0.4417 -0.1668 306 SER B CB 5527 O OG . SER B 278 ? 1.8112 2.1262 1.6253 -0.3897 0.4325 -0.1590 306 SER B OG 5528 N N . GLY B 279 ? 1.7849 2.0051 1.5132 -0.3769 0.4207 -0.1664 307 GLY B N 5529 C CA . GLY B 279 ? 1.7002 1.9003 1.4095 -0.3700 0.4279 -0.1745 307 GLY B CA 5530 C C . GLY B 279 ? 1.5512 1.7041 1.2037 -0.3924 0.4134 -0.1692 307 GLY B C 5531 O O . GLY B 279 ? 1.4357 1.5721 1.0799 -0.3812 0.4122 -0.1727 307 GLY B O 5532 N N . GLY B 280 ? 1.7514 1.8807 1.3633 -0.4243 0.4017 -0.1600 308 GLY B N 5533 C CA . GLY B 280 ? 1.7371 1.8219 1.2983 -0.4439 0.3819 -0.1509 308 GLY B CA 5534 C C . GLY B 280 ? 1.4600 1.5464 1.0451 -0.4251 0.3581 -0.1393 308 GLY B C 5535 O O . GLY B 280 ? 1.2998 1.4029 0.9092 -0.4221 0.3464 -0.1301 308 GLY B O 5536 N N . TRP B 281 ? 1.6512 1.7177 1.2259 -0.4154 0.3499 -0.1390 309 TRP B N 5537 C CA . TRP B 281 ? 1.3539 1.4223 0.9513 -0.3971 0.3288 -0.1288 309 TRP B CA 5538 C C . TRP B 281 ? 1.2541 1.2825 0.8027 -0.4235 0.3035 -0.1132 309 TRP B C 5539 O O . TRP B 281 ? 1.4359 1.4274 0.9293 -0.4503 0.3009 -0.1120 309 TRP B O 5540 C CB . TRP B 281 ? 1.3011 1.3720 0.9181 -0.3698 0.3328 -0.1361 309 TRP B CB 5541 C CG . TRP B 281 ? 1.3859 1.4943 1.0531 -0.3403 0.3531 -0.1485 309 TRP B CG 5542 C CD1 . TRP B 281 ? 1.6722 1.7827 1.3343 -0.3385 0.3754 -0.1619 309 TRP B CD1 5543 C CD2 . TRP B 281 ? 1.2575 1.4052 0.9867 -0.3081 0.3511 -0.1471 309 TRP B CD2 5544 N NE1 . TRP B 281 ? 1.6681 1.8168 1.3856 -0.3065 0.3865 -0.1679 309 TRP B NE1 5545 C CE2 . TRP B 281 ? 1.4057 1.5770 1.1642 -0.2876 0.3711 -0.1586 309 TRP B CE2 5546 C CE3 . TRP B 281 ? 1.0573 1.2214 0.8192 -0.2949 0.3336 -0.1368 309 TRP B CE3 5547 C CZ2 . TRP B 281 ? 1.3016 1.5105 1.1187 -0.2548 0.3720 -0.1583 309 TRP B CZ2 5548 C CZ3 . TRP B 281 ? 0.9874 1.1889 0.8076 -0.2626 0.3356 -0.1380 309 TRP B CZ3 5549 C CH2 . TRP B 281 ? 1.1045 1.3272 0.9507 -0.2430 0.3536 -0.1478 309 TRP B CH2 5550 N N . GLN B 282 ? 1.2992 1.3342 0.8682 -0.4160 0.2835 -0.1003 310 GLN B N 5551 C CA . GLN B 282 ? 1.3393 1.3380 0.8668 -0.4392 0.2562 -0.0824 310 GLN B CA 5552 C C . GLN B 282 ? 1.0927 1.1029 0.6546 -0.4195 0.2369 -0.0711 310 GLN B C 5553 O O . GLN B 282 ? 0.9511 1.0000 0.5689 -0.3917 0.2450 -0.0768 310 GLN B O 5554 C CB . GLN B 282 ? 1.5331 1.5215 1.0333 -0.4680 0.2521 -0.0751 310 GLN B CB 5555 C CG . GLN B 282 ? 1.4957 1.5247 1.0432 -0.4568 0.2615 -0.0776 310 GLN B CG 5556 C CD . GLN B 282 ? 1.7895 1.8078 1.3080 -0.4862 0.2602 -0.0720 310 GLN B CD 5557 O OE1 . GLN B 282 ? 1.9902 1.9744 1.4543 -0.5144 0.2577 -0.0697 310 GLN B OE1 5558 N NE2 . GLN B 282 ? 1.7265 1.7734 1.2807 -0.4803 0.2612 -0.0696 310 GLN B NE2 5559 N N . TRP B 283 ? 1.3625 1.3380 0.8909 -0.4340 0.2100 -0.0542 311 TRP B N 5560 C CA . TRP B 283 ? 1.0790 1.0602 0.6345 -0.4202 0.1887 -0.0403 311 TRP B CA 5561 C C . TRP B 283 ? 1.1636 1.1487 0.7264 -0.4309 0.1763 -0.0279 311 TRP B C 5562 O O . TRP B 283 ? 1.4034 1.3645 0.9266 -0.4577 0.1702 -0.0216 311 TRP B O 5563 C CB . TRP B 283 ? 1.0383 0.9793 0.5572 -0.4291 0.1625 -0.0259 311 TRP B CB 5564 C CG . TRP B 283 ? 1.1028 1.0399 0.6186 -0.4162 0.1717 -0.0366 311 TRP B CG 5565 C CD1 . TRP B 283 ? 1.2143 1.1168 0.6816 -0.4327 0.1700 -0.0390 311 TRP B CD1 5566 C CD2 . TRP B 283 ? 0.9337 0.9015 0.4971 -0.3840 0.1831 -0.0463 311 TRP B CD2 5567 N NE1 . TRP B 283 ? 1.2384 1.1472 0.7196 -0.4130 0.1802 -0.0496 311 TRP B NE1 5568 C CE2 . TRP B 283 ? 1.0552 1.0037 0.5949 -0.3825 0.1882 -0.0542 311 TRP B CE2 5569 C CE3 . TRP B 283 ? 0.8290 0.8380 0.4529 -0.3562 0.1888 -0.0494 311 TRP B CE3 5570 C CZ2 . TRP B 283 ? 0.9279 0.8960 0.5020 -0.3537 0.1984 -0.0645 311 TRP B CZ2 5571 C CZ3 . TRP B 283 ? 0.7824 0.8116 0.4408 -0.3273 0.1983 -0.0596 311 TRP B CZ3 5572 C CH2 . TRP B 283 ? 0.8047 0.8132 0.4381 -0.3260 0.2031 -0.0669 311 TRP B CH2 5573 N N . SER B 284 ? 1.1284 1.1428 0.7420 -0.4100 0.1721 -0.0244 312 SER B N 5574 C CA . SER B 284 ? 1.0068 1.0260 0.6324 -0.4181 0.1608 -0.0135 312 SER B CA 5575 C C . SER B 284 ? 1.0639 1.0386 0.6518 -0.4381 0.1274 0.0095 312 SER B C 5576 O O . SER B 284 ? 1.2246 1.1883 0.8014 -0.4537 0.1168 0.0192 312 SER B O 5577 C CB . SER B 284 ? 0.8116 0.8723 0.5026 -0.3900 0.1635 -0.0163 312 SER B CB 5578 O OG . SER B 284 ? 0.7373 0.7895 0.4431 -0.3789 0.1422 -0.0038 312 SER B OG 5579 N N . ASP B 285 ? 0.9388 0.8863 0.5074 -0.4369 0.1089 0.0189 313 ASP B N 5580 C CA . ASP B 285 ? 1.0007 0.9046 0.5377 -0.4517 0.0729 0.0416 313 ASP B CA 5581 C C . ASP B 285 ? 1.2518 1.1163 0.7241 -0.4801 0.0661 0.0444 313 ASP B C 5582 O O . ASP B 285 ? 1.3121 1.1384 0.7543 -0.4923 0.0344 0.0626 313 ASP B O 5583 C CB . ASP B 285 ? 0.8866 0.7810 0.4397 -0.4352 0.0522 0.0519 313 ASP B CB 5584 C CG . ASP B 285 ? 0.9609 0.8401 0.4831 -0.4371 0.0576 0.0448 313 ASP B CG 5585 O OD1 . ASP B 285 ? 1.1574 1.0440 0.6603 -0.4437 0.0842 0.0271 313 ASP B OD1 5586 O OD2 . ASP B 285 ? 0.9007 0.7594 0.4199 -0.4314 0.0341 0.0568 313 ASP B OD2 5587 N N . ASN B 286 ? 1.0326 0.9064 0.4865 -0.4895 0.0944 0.0264 314 ASN B N 5588 C CA . ASN B 286 ? 1.1486 0.9887 0.5432 -0.5184 0.0929 0.0257 314 ASN B CA 5589 C C . ASN B 286 ? 1.3445 1.1478 0.7022 -0.5250 0.0729 0.0327 314 ASN B C 5590 O O . ASN B 286 ? 1.5008 1.2650 0.8144 -0.5465 0.0478 0.0459 314 ASN B O 5591 C CB . ASN B 286 ? 1.3500 1.1700 0.7201 -0.5405 0.0765 0.0391 314 ASN B CB 5592 C CG . ASN B 286 ? 1.4372 1.2863 0.8217 -0.5458 0.1038 0.0265 314 ASN B CG 5593 O OD1 . ASN B 286 ? 1.6959 1.5469 1.0578 -0.5594 0.1264 0.0123 314 ASN B OD1 5594 N ND2 . ASN B 286 ? 1.2640 1.1361 0.6881 -0.5349 0.1018 0.0313 314 ASN B ND2 5595 N N . SER B 287 ? 1.3640 1.1803 0.7407 -0.5063 0.0832 0.0235 315 SER B N 5596 C CA . SER B 287 ? 1.3676 1.1581 0.7150 -0.5096 0.0758 0.0224 315 SER B CA 5597 C C . SER B 287 ? 1.4645 1.2550 0.7871 -0.5204 0.1058 0.0019 315 SER B C 5598 O O . SER B 287 ? 1.4740 1.2985 0.8242 -0.5104 0.1369 -0.0150 315 SER B O 5599 C CB . SER B 287 ? 1.1234 0.9318 0.5095 -0.4812 0.0749 0.0217 315 SER B CB 5600 O OG . SER B 287 ? 1.0154 0.8089 0.4118 -0.4752 0.0396 0.0435 315 SER B OG 5601 N N . PRO B 288 ? 1.3019 1.0552 0.5753 -0.5405 0.0964 0.0030 316 PRO B N 5602 C CA . PRO B 288 ? 1.5102 1.2618 0.7615 -0.5498 0.1255 -0.0167 316 PRO B CA 5603 C C . PRO B 288 ? 1.4812 1.2620 0.7710 -0.5210 0.1500 -0.0335 316 PRO B C 5604 O O . PRO B 288 ? 1.2584 1.0475 0.5755 -0.4998 0.1391 -0.0282 316 PRO B O 5605 C CB . PRO B 288 ? 1.6385 1.3414 0.8326 -0.5752 0.1037 -0.0085 316 PRO B CB 5606 C CG . PRO B 288 ? 1.5732 1.2610 0.7743 -0.5672 0.0665 0.0117 316 PRO B CG 5607 C CD . PRO B 288 ? 1.3132 1.0254 0.5533 -0.5535 0.0582 0.0221 316 PRO B CD 5608 N N . LEU B 289 ? 1.4454 1.2412 0.7380 -0.5196 0.1826 -0.0536 317 LEU B N 5609 C CA . LEU B 289 ? 1.3183 1.1421 0.6506 -0.4899 0.2054 -0.0698 317 LEU B CA 5610 C C . LEU B 289 ? 1.4714 1.2629 0.7659 -0.4986 0.2057 -0.0753 317 LEU B C 5611 O O . LEU B 289 ? 1.5072 1.2932 0.7833 -0.5069 0.2279 -0.0899 317 LEU B O 5612 C CB . LEU B 289 ? 1.3550 1.2164 0.7201 -0.4792 0.2384 -0.0872 317 LEU B CB 5613 C CG . LEU B 289 ? 1.2788 1.1762 0.6943 -0.4456 0.2636 -0.1046 317 LEU B CG 5614 C CD1 . LEU B 289 ? 1.1349 1.0637 0.6054 -0.4154 0.2558 -0.0996 317 LEU B CD1 5615 C CD2 . LEU B 289 ? 1.4336 1.3574 0.8664 -0.4443 0.2921 -0.1192 317 LEU B CD2 5616 N N . LYS B 290 ? 1.4140 1.1865 0.7018 -0.4938 0.1816 -0.0639 318 LYS B N 5617 C CA . LYS B 290 ? 1.5808 1.3207 0.8348 -0.5012 0.1754 -0.0657 318 LYS B CA 5618 C C . LYS B 290 ? 1.4716 1.2318 0.7586 -0.4722 0.1963 -0.0816 318 LYS B C 5619 O O . LYS B 290 ? 1.6651 1.4067 0.9283 -0.4773 0.2077 -0.0924 318 LYS B O 5620 C CB . LYS B 290 ? 1.5849 1.2948 0.8181 -0.5105 0.1355 -0.0436 318 LYS B CB 5621 C CG . LYS B 290 ? 1.7261 1.4022 0.9269 -0.5181 0.1246 -0.0429 318 LYS B CG 5622 C CD . LYS B 290 ? 1.6892 1.3418 0.8806 -0.5230 0.0827 -0.0197 318 LYS B CD 5623 C CE . LYS B 290 ? 1.7622 1.4047 0.9423 -0.5405 0.0576 -0.0015 318 LYS B CE 5624 N NZ . LYS B 290 ? 1.6931 1.3145 0.8717 -0.5423 0.0146 0.0218 318 LYS B NZ 5625 N N . TYR B 291 ? 1.7625 1.5597 1.1042 -0.4420 0.2006 -0.0829 319 TYR B N 5626 C CA . TYR B 291 ? 1.5787 1.3935 0.9550 -0.4120 0.2122 -0.0936 319 TYR B CA 5627 C C . TYR B 291 ? 1.4201 1.2831 0.8550 -0.3838 0.2376 -0.1069 319 TYR B C 5628 O O . TYR B 291 ? 1.3613 1.2487 0.8212 -0.3813 0.2368 -0.1019 319 TYR B O 5629 C CB . TYR B 291 ? 1.3436 1.1534 0.7298 -0.4016 0.1855 -0.0788 319 TYR B CB 5630 C CG . TYR B 291 ? 1.2012 1.0291 0.6237 -0.3706 0.1954 -0.0889 319 TYR B CG 5631 C CD1 . TYR B 291 ? 1.2264 1.0287 0.6246 -0.3718 0.1962 -0.0951 319 TYR B CD1 5632 C CD2 . TYR B 291 ? 1.0282 0.8981 0.5098 -0.3403 0.2032 -0.0919 319 TYR B CD2 5633 C CE1 . TYR B 291 ? 1.1719 0.9887 0.6025 -0.3435 0.2046 -0.1043 319 TYR B CE1 5634 C CE2 . TYR B 291 ? 0.9452 0.8310 0.4613 -0.3110 0.2111 -0.1009 319 TYR B CE2 5635 C CZ . TYR B 291 ? 1.0161 0.8745 0.5057 -0.3130 0.2118 -0.1070 319 TYR B CZ 5636 O OH . TYR B 291 ? 0.9296 0.8010 0.4517 -0.2849 0.2189 -0.1156 319 TYR B OH 5637 N N . LEU B 292 ? 1.1999 1.0755 0.6567 -0.3629 0.2588 -0.1230 320 LEU B N 5638 C CA . LEU B 292 ? 1.2183 1.1390 0.7344 -0.3327 0.2796 -0.1343 320 LEU B CA 5639 C C . LEU B 292 ? 1.0974 1.0290 0.6470 -0.3013 0.2834 -0.1412 320 LEU B C 5640 O O . LEU B 292 ? 1.2253 1.1345 0.7524 -0.3026 0.2899 -0.1492 320 LEU B O 5641 C CB . LEU B 292 ? 1.5301 1.4575 1.0405 -0.3398 0.3046 -0.1477 320 LEU B CB 5642 C CG . LEU B 292 ? 1.7133 1.6414 1.2044 -0.3652 0.3057 -0.1433 320 LEU B CG 5643 C CD1 . LEU B 292 ? 1.8782 1.7596 1.3004 -0.4037 0.2931 -0.1359 320 LEU B CD1 5644 C CD2 . LEU B 292 ? 1.9048 1.8588 1.4172 -0.3587 0.3328 -0.1573 320 LEU B CD2 5645 N N . ASN B 293 ? 1.2186 1.1823 0.8200 -0.2743 0.2779 -0.1374 321 ASN B N 5646 C CA . ASN B 293 ? 1.1575 1.1362 0.7979 -0.2415 0.2806 -0.1429 321 ASN B CA 5647 C C . ASN B 293 ? 1.1525 1.1701 0.8470 -0.2116 0.2975 -0.1519 321 ASN B C 5648 O O . ASN B 293 ? 1.0220 1.0609 0.7605 -0.1813 0.2939 -0.1513 321 ASN B O 5649 C CB . ASN B 293 ? 0.9837 0.9683 0.6432 -0.2305 0.2605 -0.1317 321 ASN B CB 5650 C CG . ASN B 293 ? 0.9381 0.9099 0.5998 -0.2149 0.2570 -0.1351 321 ASN B CG 5651 O OD1 . ASN B 293 ? 1.0842 1.0387 0.7283 -0.2149 0.2683 -0.1451 321 ASN B OD1 5652 N ND2 . ASN B 293 ? 0.7506 0.7303 0.4334 -0.2022 0.2419 -0.1271 321 ASN B ND2 5653 N N . TRP B 294 ? 1.1266 1.1553 0.8202 -0.2194 0.3129 -0.1578 322 TRP B N 5654 C CA . TRP B 294 ? 1.1413 1.2060 0.8836 -0.1920 0.3268 -0.1642 322 TRP B CA 5655 C C . TRP B 294 ? 1.2477 1.3136 1.0096 -0.1651 0.3318 -0.1709 322 TRP B C 5656 O O . TRP B 294 ? 1.2870 1.3228 1.0154 -0.1739 0.3353 -0.1770 322 TRP B O 5657 C CB . TRP B 294 ? 1.3177 1.3852 1.0440 -0.2079 0.3462 -0.1726 322 TRP B CB 5658 C CG . TRP B 294 ? 1.4297 1.4999 1.1411 -0.2324 0.3434 -0.1667 322 TRP B CG 5659 C CD1 . TRP B 294 ? 1.5467 1.5875 1.2042 -0.2683 0.3443 -0.1662 322 TRP B CD1 5660 C CD2 . TRP B 294 ? 1.3750 1.4776 1.1243 -0.2238 0.3382 -0.1597 322 TRP B CD2 5661 N NE1 . TRP B 294 ? 1.5657 1.6185 1.2249 -0.2827 0.3400 -0.1591 322 TRP B NE1 5662 C CE2 . TRP B 294 ? 1.4614 1.5524 1.1771 -0.2560 0.3369 -0.1556 322 TRP B CE2 5663 C CE3 . TRP B 294 ? 1.2018 1.3401 1.0081 -0.1928 0.3332 -0.1555 322 TRP B CE3 5664 C CZ2 . TRP B 294 ? 1.3680 1.4827 1.1065 -0.2582 0.3320 -0.1488 322 TRP B CZ2 5665 C CZ3 . TRP B 294 ? 1.0900 1.2514 0.9185 -0.1951 0.3281 -0.1488 322 TRP B CZ3 5666 C CH2 . TRP B 294 ? 1.1950 1.3450 0.9904 -0.2276 0.3283 -0.1461 322 TRP B CH2 5667 N N . GLU B 295 ? 1.4351 1.5341 1.2496 -0.1327 0.3300 -0.1683 323 GLU B N 5668 C CA . GLU B 295 ? 1.5759 1.6792 1.4109 -0.1060 0.3347 -0.1734 323 GLU B CA 5669 C C . GLU B 295 ? 1.9024 2.0026 1.7235 -0.1101 0.3571 -0.1862 323 GLU B C 5670 O O . GLU B 295 ? 2.1397 2.2446 1.9483 -0.1275 0.3693 -0.1901 323 GLU B O 5671 C CB . GLU B 295 ? 1.3919 1.5301 1.2817 -0.0725 0.3250 -0.1646 323 GLU B CB 5672 C CG . GLU B 295 ? 1.1138 1.2559 1.0197 -0.0666 0.3037 -0.1526 323 GLU B CG 5673 C CD . GLU B 295 ? 0.9550 1.1296 0.9099 -0.0372 0.2932 -0.1420 323 GLU B CD 5674 O OE1 . GLU B 295 ? 1.1295 1.3233 1.1047 -0.0207 0.3016 -0.1431 323 GLU B OE1 5675 O OE2 . GLU B 295 ? 0.6821 0.8620 0.6529 -0.0315 0.2764 -0.1319 323 GLU B OE2 5676 N N . SER B 296 ? 1.4634 1.5555 1.2869 -0.0940 0.3627 -0.1930 324 SER B N 5677 C CA . SER B 296 ? 1.7385 1.8214 1.5434 -0.0991 0.3845 -0.2068 324 SER B CA 5678 C C . SER B 296 ? 2.0618 2.1767 1.8918 -0.0920 0.3990 -0.2097 324 SER B C 5679 O O . SER B 296 ? 2.0479 2.1564 1.8584 -0.1032 0.4192 -0.2215 324 SER B O 5680 C CB . SER B 296 ? 1.6338 1.7080 1.4463 -0.0776 0.3861 -0.2124 324 SER B CB 5681 O OG . SER B 296 ? 1.4394 1.4836 1.2285 -0.0852 0.3732 -0.2099 324 SER B OG 5682 N N . ASP B 297 ? 1.4797 1.6282 1.3515 -0.0742 0.3893 -0.1992 325 ASP B N 5683 C CA . ASP B 297 ? 1.7800 1.9593 1.6749 -0.0701 0.4013 -0.2000 325 ASP B CA 5684 C C . ASP B 297 ? 1.5832 1.7644 1.4639 -0.0970 0.4007 -0.1965 325 ASP B C 5685 O O . ASP B 297 ? 1.8545 2.0316 1.7122 -0.1183 0.4177 -0.2049 325 ASP B O 5686 C CB . ASP B 297 ? 1.9492 2.1612 1.8959 -0.0404 0.3935 -0.1932 325 ASP B CB 5687 C CG . ASP B 297 ? 2.1242 2.3311 2.0843 -0.0178 0.3923 -0.1973 325 ASP B CG 5688 O OD1 . ASP B 297 ? 2.3451 2.5306 2.2805 -0.0215 0.4041 -0.2082 325 ASP B OD1 5689 O OD2 . ASP B 297 ? 2.0230 2.2460 2.0171 0.0027 0.3794 -0.1896 325 ASP B OD2 5690 N N . GLN B 298 ? 1.9660 2.1522 1.8586 -0.0968 0.3812 -0.1844 326 GLN B N 5691 C CA . GLN B 298 ? 1.6240 1.8160 1.5101 -0.1185 0.3775 -0.1791 326 GLN B CA 5692 C C . GLN B 298 ? 1.5672 1.7282 1.3986 -0.1565 0.3853 -0.1853 326 GLN B C 5693 O O . GLN B 298 ? 1.6242 1.7536 1.4200 -0.1671 0.3870 -0.1907 326 GLN B O 5694 C CB . GLN B 298 ? 1.3233 1.5194 1.2272 -0.1111 0.3540 -0.1659 326 GLN B CB 5695 C CG . GLN B 298 ? 1.1941 1.4035 1.1354 -0.0761 0.3419 -0.1592 326 GLN B CG 5696 C CD . GLN B 298 ? 1.1287 1.3737 1.1140 -0.0520 0.3427 -0.1534 326 GLN B CD 5697 O OE1 . GLN B 298 ? 1.0617 1.3248 1.0624 -0.0576 0.3401 -0.1481 326 GLN B OE1 5698 N NE2 . GLN B 298 ? 1.1368 1.3900 1.1426 -0.0317 0.3492 -0.1596 326 GLN B NE2 5699 N N . PRO B 299 ? 1.3574 1.5255 1.1793 -0.1782 0.3893 -0.1838 327 PRO B N 5700 C CA . PRO B 299 ? 1.2901 1.4933 1.1495 -0.1703 0.3884 -0.1781 327 PRO B CA 5701 C C . PRO B 299 ? 1.4868 1.7194 1.3781 -0.1512 0.4058 -0.1843 327 PRO B C 5702 O O . PRO B 299 ? 1.6867 1.9122 1.5593 -0.1586 0.4252 -0.1958 327 PRO B O 5703 C CB . PRO B 299 ? 1.3300 1.5215 1.1540 -0.2067 0.3909 -0.1774 327 PRO B CB 5704 C CG . PRO B 299 ? 1.3857 1.5351 1.1562 -0.2311 0.3851 -0.1780 327 PRO B CG 5705 C CD . PRO B 299 ? 1.4889 1.6249 1.2545 -0.2164 0.3926 -0.1864 327 PRO B CD 5706 N N . ASP B 300 ? 1.2678 1.5325 1.2059 -0.1274 0.3985 -0.1763 328 ASP B N 5707 C CA . ASP B 300 ? 1.5096 1.8052 1.4817 -0.1077 0.4118 -0.1791 328 ASP B CA 5708 C C . ASP B 300 ? 1.6800 2.0008 1.6687 -0.1185 0.4156 -0.1760 328 ASP B C 5709 O O . ASP B 300 ? 1.5927 1.9054 1.5645 -0.1410 0.4079 -0.1718 328 ASP B O 5710 C CB . ASP B 300 ? 1.3778 1.6889 1.3904 -0.0767 0.4026 -0.1765 328 ASP B CB 5711 C CG . ASP B 300 ? 1.3894 1.6790 1.3891 -0.0647 0.4030 -0.1818 328 ASP B CG 5712 O OD1 . ASP B 300 ? 1.5237 1.7842 1.4823 -0.0805 0.4069 -0.1861 328 ASP B OD1 5713 O OD2 . ASP B 300 ? 1.2925 1.5933 1.3220 -0.0401 0.3988 -0.1814 328 ASP B OD2 5714 N N . ASN B 301 ? 1.5576 1.9088 1.5794 -0.1073 0.4302 -0.1826 329 ASN B N 5715 C CA . ASN B 301 ? 1.6549 2.0381 1.7074 -0.1089 0.4323 -0.1795 329 ASN B CA 5716 C C . ASN B 301 ? 1.5645 1.9408 1.5932 -0.1366 0.4282 -0.1735 329 ASN B C 5717 O O . ASN B 301 ? 1.4043 1.7875 1.4475 -0.1365 0.4113 -0.1629 329 ASN B O 5718 C CB . ASN B 301 ? 1.5328 1.9343 1.6268 -0.0851 0.4142 -0.1703 329 ASN B CB 5719 C CG . ASN B 301 ? 1.5621 1.9640 1.6739 -0.0584 0.4137 -0.1735 329 ASN B CG 5720 O OD1 . ASN B 301 ? 1.5686 1.9763 1.6833 -0.0521 0.4322 -0.1843 329 ASN B OD1 5721 N ND2 . ASN B 301 ? 1.5683 1.9633 1.6914 -0.0431 0.3928 -0.1643 329 ASN B ND2 5722 N N . PRO B 302 ? 1.5719 1.9327 1.5626 -0.1626 0.4434 -0.1812 330 PRO B N 5723 C CA . PRO B 302 ? 1.4870 1.8383 1.4508 -0.1957 0.4408 -0.1794 330 PRO B CA 5724 C C . PRO B 302 ? 1.4082 1.7928 1.4038 -0.1968 0.4429 -0.1750 330 PRO B C 5725 O O . PRO B 302 ? 1.5157 1.9311 1.5488 -0.1775 0.4524 -0.1764 330 PRO B O 5726 C CB . PRO B 302 ? 1.7928 2.1219 1.7101 -0.2230 0.4606 -0.1914 330 PRO B CB 5727 C CG . PRO B 302 ? 1.9833 2.3253 1.9173 -0.2025 0.4793 -0.2011 330 PRO B CG 5728 C CD . PRO B 302 ? 1.7768 2.1264 1.7447 -0.1669 0.4648 -0.1945 330 PRO B CD 5729 N N . SER B 303 ? 1.4512 1.8288 1.4307 -0.2208 0.4330 -0.1696 331 SER B N 5730 C CA . SER B 303 ? 1.4345 1.8396 1.4410 -0.2249 0.4308 -0.1641 331 SER B CA 5731 C C . SER B 303 ? 1.3897 1.8207 1.4480 -0.1920 0.4174 -0.1553 331 SER B C 5732 O O . SER B 303 ? 1.3697 1.8297 1.4595 -0.1882 0.4190 -0.1519 331 SER B O 5733 C CB . SER B 303 ? 1.6657 2.0913 1.6742 -0.2380 0.4550 -0.1725 331 SER B CB 5734 O OG . SER B 303 ? 1.7392 2.1450 1.7028 -0.2758 0.4609 -0.1755 331 SER B OG 5735 N N . GLU B 304 ? 1.5114 1.9308 1.5768 -0.1694 0.4039 -0.1509 332 GLU B N 5736 C CA . GLU B 304 ? 1.4721 1.9095 1.5793 -0.1425 0.3895 -0.1447 332 GLU B CA 5737 C C . GLU B 304 ? 1.0355 1.4486 1.1316 -0.1375 0.3661 -0.1346 332 GLU B C 5738 O O . GLU B 304 ? 0.8960 1.3147 1.0074 -0.1363 0.3500 -0.1258 332 GLU B O 5739 C CB . GLU B 304 ? 1.8098 2.2614 1.9416 -0.1181 0.3998 -0.1527 332 GLU B CB 5740 C CG . GLU B 304 ? 2.2618 2.7458 2.4180 -0.1177 0.4210 -0.1612 332 GLU B CG 5741 C CD . GLU B 304 ? 2.4971 2.9947 2.6782 -0.0926 0.4308 -0.1682 332 GLU B CD 5742 O OE1 . GLU B 304 ? 2.6319 3.1089 2.7917 -0.0884 0.4371 -0.1742 332 GLU B OE1 5743 O OE2 . GLU B 304 ? 2.5368 3.0651 2.7584 -0.0775 0.4318 -0.1673 332 GLU B OE2 5744 N N . GLU B 305 ? 1.4880 1.8749 1.5582 -0.1355 0.3647 -0.1371 333 GLU B N 5745 C CA . GLU B 305 ? 1.0354 1.3997 1.0932 -0.1348 0.3452 -0.1312 333 GLU B CA 5746 C C . GLU B 305 ? 0.9354 1.2722 0.9452 -0.1694 0.3464 -0.1349 333 GLU B C 5747 O O . GLU B 305 ? 1.0063 1.3210 0.9826 -0.1803 0.3557 -0.1421 333 GLU B O 5748 C CB . GLU B 305 ? 0.9286 1.2822 0.9898 -0.1105 0.3420 -0.1312 333 GLU B CB 5749 C CG . GLU B 305 ? 0.9425 1.3211 1.0458 -0.0833 0.3431 -0.1327 333 GLU B CG 5750 C CD . GLU B 305 ? 0.9935 1.3599 1.0962 -0.0641 0.3423 -0.1360 333 GLU B CD 5751 O OE1 . GLU B 305 ? 1.1028 1.4478 1.1739 -0.0722 0.3509 -0.1419 333 GLU B OE1 5752 O OE2 . GLU B 305 ? 0.8873 1.2640 1.0191 -0.0421 0.3326 -0.1324 333 GLU B OE2 5753 N N . ASN B 306 ? 0.8858 1.2213 0.8901 -0.1871 0.3355 -0.1289 334 ASN B N 5754 C CA . ASN B 306 ? 1.0068 1.3158 0.9632 -0.2226 0.3348 -0.1291 334 ASN B CA 5755 C C . ASN B 306 ? 0.9188 1.2024 0.8547 -0.2290 0.3154 -0.1215 334 ASN B C 5756 O O . ASN B 306 ? 0.9716 1.2294 0.8639 -0.2592 0.3119 -0.1187 334 ASN B O 5757 C CB . ASN B 306 ? 1.1227 1.4447 1.0792 -0.2435 0.3374 -0.1269 334 ASN B CB 5758 C CG . ASN B 306 ? 1.3249 1.6651 1.2865 -0.2477 0.3597 -0.1356 334 ASN B CG 5759 O OD1 . ASN B 306 ? 1.3878 1.7580 1.3843 -0.2388 0.3636 -0.1348 334 ASN B OD1 5760 N ND2 . ASN B 306 ? 1.4309 1.7530 1.3578 -0.2613 0.3748 -0.1440 334 ASN B ND2 5761 N N . CYS B 307 ? 1.0784 1.3674 1.0427 -0.2028 0.3019 -0.1168 335 CYS B N 5762 C CA . CYS B 307 ? 0.9460 1.2148 0.8953 -0.2085 0.2837 -0.1092 335 CYS B CA 5763 C C . CYS B 307 ? 0.8049 1.0627 0.7565 -0.1882 0.2803 -0.1109 335 CYS B C 5764 O O . CYS B 307 ? 0.8719 1.1452 0.8542 -0.1602 0.2847 -0.1138 335 CYS B O 5765 C CB . CYS B 307 ? 0.7790 1.0650 0.7610 -0.1996 0.2676 -0.1004 335 CYS B CB 5766 S SG . CYS B 307 ? 0.8983 1.1934 0.8742 -0.2266 0.2686 -0.0969 335 CYS B SG 5767 N N . GLY B 308 ? 1.0022 1.2316 0.9193 -0.2034 0.2714 -0.1076 336 GLY B N 5768 C CA . GLY B 308 ? 0.9285 1.1436 0.8406 -0.1892 0.2691 -0.1099 336 GLY B CA 5769 C C . GLY B 308 ? 0.6550 0.8782 0.5986 -0.1663 0.2522 -0.1030 336 GLY B C 5770 O O . GLY B 308 ? 0.5523 0.7822 0.5078 -0.1698 0.2390 -0.0950 336 GLY B O 5771 N N . VAL B 309 ? 0.8479 1.0696 0.8046 -0.1428 0.2526 -0.1061 337 VAL B N 5772 C CA . VAL B 309 ? 0.5971 0.8227 0.5796 -0.1211 0.2372 -0.1000 337 VAL B CA 5773 C C . VAL B 309 ? 0.6338 0.8356 0.5922 -0.1209 0.2376 -0.1036 337 VAL B C 5774 O O . VAL B 309 ? 0.8191 1.0063 0.7520 -0.1277 0.2506 -0.1115 337 VAL B O 5775 C CB . VAL B 309 ? 0.5233 0.7731 0.5539 -0.0862 0.2330 -0.0963 337 VAL B CB 5776 C CG1 . VAL B 309 ? 0.5085 0.7797 0.5613 -0.0871 0.2320 -0.0925 337 VAL B CG1 5777 C CG2 . VAL B 309 ? 0.6746 0.9248 0.7074 -0.0702 0.2455 -0.1019 337 VAL B CG2 5778 N N . ILE B 310 ? 0.6958 0.8937 0.6626 -0.1136 0.2233 -0.0980 338 ILE B N 5779 C CA . ILE B 310 ? 0.6940 0.8735 0.6476 -0.1073 0.2216 -0.1006 338 ILE B CA 5780 C C . ILE B 310 ? 0.6620 0.8581 0.6606 -0.0706 0.2136 -0.0972 338 ILE B C 5781 O O . ILE B 310 ? 0.5103 0.7252 0.5429 -0.0559 0.2025 -0.0894 338 ILE B O 5782 C CB . ILE B 310 ? 0.6769 0.8357 0.5990 -0.1302 0.2107 -0.0947 338 ILE B CB 5783 C CG1 . ILE B 310 ? 0.6745 0.8119 0.5790 -0.1257 0.2096 -0.0980 338 ILE B CG1 5784 C CG2 . ILE B 310 ? 0.4675 0.6465 0.4226 -0.1238 0.1954 -0.0853 338 ILE B CG2 5785 C CD1 . ILE B 310 ? 0.7206 0.8241 0.5691 -0.1584 0.2012 -0.0910 338 ILE B CD1 5786 N N . ARG B 311 ? 0.6673 0.8532 0.6624 -0.0568 0.2180 -0.1014 339 ARG B N 5787 C CA . ARG B 311 ? 0.5114 0.7075 0.5402 -0.0240 0.2092 -0.0949 339 ARG B CA 5788 C C . ARG B 311 ? 0.5110 0.6899 0.5310 -0.0191 0.2032 -0.0962 339 ARG B C 5789 O O . ARG B 311 ? 0.5986 0.7563 0.5860 -0.0334 0.2128 -0.1053 339 ARG B O 5790 C CB . ARG B 311 ? 0.6996 0.9043 0.7367 -0.0083 0.2196 -0.0966 339 ARG B CB 5791 C CG . ARG B 311 ? 0.8128 1.0382 0.8664 -0.0082 0.2236 -0.0933 339 ARG B CG 5792 C CD . ARG B 311 ? 1.0443 1.2781 1.0994 0.0000 0.2385 -0.0982 339 ARG B CD 5793 N NE . ARG B 311 ? 1.1451 1.3848 1.2215 0.0214 0.2371 -0.0997 339 ARG B NE 5794 C CZ . ARG B 311 ? 1.3783 1.6056 1.4430 0.0280 0.2425 -0.1059 339 ARG B CZ 5795 N NH1 . ARG B 311 ? 1.5005 1.7077 1.5317 0.0145 0.2497 -0.1119 339 ARG B NH1 5796 N NH2 . ARG B 311 ? 1.4273 1.6606 1.5116 0.0469 0.2405 -0.1060 339 ARG B NH2 5797 N N . THR B 312 ? 0.6928 0.8779 0.7391 -0.0006 0.1871 -0.0864 340 THR B N 5798 C CA . THR B 312 ? 0.7172 0.8887 0.7609 0.0083 0.1808 -0.0865 340 THR B CA 5799 C C . THR B 312 ? 0.9112 1.0768 0.9510 0.0243 0.1871 -0.0888 340 THR B C 5800 O O . THR B 312 ? 0.8789 1.0274 0.9036 0.0230 0.1890 -0.0949 340 THR B O 5801 C CB . THR B 312 ? 0.4516 0.6307 0.5242 0.0254 0.1617 -0.0733 340 THR B CB 5802 O OG1 . THR B 312 ? 0.4035 0.5929 0.4954 0.0447 0.1561 -0.0600 340 THR B OG1 5803 C CG2 . THR B 312 ? 0.3937 0.5798 0.4721 0.0094 0.1545 -0.0733 340 THR B CG2 5804 N N . GLU B 313 ? 0.5856 0.7652 0.6375 0.0382 0.1908 -0.0842 341 GLU B N 5805 C CA . GLU B 313 ? 0.8133 0.9918 0.8657 0.0512 0.1981 -0.0897 341 GLU B CA 5806 C C . GLU B 313 ? 0.9913 1.1519 1.0124 0.0384 0.2126 -0.1028 341 GLU B C 5807 O O . GLU B 313 ? 1.0677 1.2159 1.0806 0.0456 0.2138 -0.1075 341 GLU B O 5808 C CB . GLU B 313 ? 1.0373 1.2366 1.1122 0.0586 0.2056 -0.0913 341 GLU B CB 5809 C CG . GLU B 313 ? 1.3174 1.5186 1.3977 0.0718 0.2142 -0.0984 341 GLU B CG 5810 C CD . GLU B 313 ? 1.3718 1.5905 1.4817 0.0879 0.2090 -0.0925 341 GLU B CD 5811 O OE1 . GLU B 313 ? 1.4705 1.7070 1.5950 0.0882 0.2162 -0.0933 341 GLU B OE1 5812 O OE2 . GLU B 313 ? 1.3146 1.5288 1.4318 0.0991 0.1978 -0.0869 341 GLU B OE2 5813 N N . SER B 314 ? 0.7821 0.9381 0.7839 0.0149 0.2251 -0.1112 342 SER B N 5814 C CA . SER B 314 ? 0.8764 1.0085 0.8411 -0.0054 0.2406 -0.1250 342 SER B CA 5815 C C . SER B 314 ? 0.8015 0.9066 0.7349 -0.0277 0.2370 -0.1281 342 SER B C 5816 O O . SER B 314 ? 0.9203 0.9991 0.8121 -0.0506 0.2475 -0.1369 342 SER B O 5817 C CB . SER B 314 ? 1.0510 1.1881 1.0022 -0.0224 0.2556 -0.1309 342 SER B CB 5818 O OG . SER B 314 ? 1.0376 1.1812 0.9876 -0.0388 0.2507 -0.1261 342 SER B OG 5819 N N . SER B 315 ? 0.8264 0.9360 0.7757 -0.0227 0.2217 -0.1200 343 SER B N 5820 C CA . SER B 315 ? 0.8209 0.9066 0.7411 -0.0427 0.2166 -0.1213 343 SER B CA 5821 C C . SER B 315 ? 0.8536 0.9239 0.7308 -0.0777 0.2208 -0.1225 343 SER B C 5822 O O . SER B 315 ? 1.0012 1.0375 0.8270 -0.1026 0.2228 -0.1258 343 SER B O 5823 C CB . SER B 315 ? 1.0115 1.0687 0.9073 -0.0431 0.2203 -0.1285 343 SER B CB 5824 O OG . SER B 315 ? 0.9752 1.0455 0.9038 -0.0132 0.2184 -0.1273 343 SER B OG 5825 N N . GLY B 316 ? 0.7104 0.8029 0.6046 -0.0807 0.2196 -0.1174 344 GLY B N 5826 C CA . GLY B 316 ? 0.6566 0.7363 0.5116 -0.1138 0.2203 -0.1149 344 GLY B CA 5827 C C . GLY B 316 ? 0.8273 0.9060 0.6660 -0.1256 0.2348 -0.1207 344 GLY B C 5828 O O . GLY B 316 ? 0.8691 0.9327 0.6699 -0.1551 0.2345 -0.1176 344 GLY B O 5829 N N . GLY B 317 ? 0.7057 0.7990 0.5700 -0.1042 0.2461 -0.1274 345 GLY B N 5830 C CA . GLY B 317 ? 0.9426 1.0370 0.7932 -0.1146 0.2620 -0.1341 345 GLY B CA 5831 C C . GLY B 317 ? 0.9905 1.1132 0.8667 -0.1138 0.2624 -0.1295 345 GLY B C 5832 O O . GLY B 317 ? 0.8331 0.9787 0.7470 -0.0971 0.2511 -0.1216 345 GLY B O 5833 N N . TRP B 318 ? 0.9212 1.0407 0.7754 -0.1328 0.2755 -0.1347 346 TRP B N 5834 C CA . TRP B 318 ? 0.8953 1.0366 0.7643 -0.1392 0.2770 -0.1311 346 TRP B CA 5835 C C . TRP B 318 ? 1.0708 1.2364 0.9678 -0.1220 0.2913 -0.1366 346 TRP B C 5836 O O . TRP B 318 ? 1.2707 1.4281 1.1551 -0.1203 0.3054 -0.1456 346 TRP B O 5837 C CB . TRP B 318 ? 0.9197 1.0385 0.7392 -0.1777 0.2794 -0.1305 346 TRP B CB 5838 C CG . TRP B 318 ? 0.8114 0.8975 0.5885 -0.1999 0.2653 -0.1236 346 TRP B CG 5839 C CD1 . TRP B 318 ? 0.6989 0.7788 0.4826 -0.1896 0.2512 -0.1181 346 TRP B CD1 5840 C CD2 . TRP B 318 ? 0.9751 1.0282 0.6938 -0.2371 0.2614 -0.1192 346 TRP B CD2 5841 N NE1 . TRP B 318 ? 0.7384 0.7839 0.4709 -0.2184 0.2384 -0.1098 346 TRP B NE1 5842 C CE2 . TRP B 318 ? 0.9408 0.9677 0.6319 -0.2476 0.2427 -0.1093 346 TRP B CE2 5843 C CE3 . TRP B 318 ? 1.1902 1.2322 0.8763 -0.2629 0.2703 -0.1214 346 TRP B CE3 5844 C CZ2 . TRP B 318 ? 1.0211 1.0094 0.6528 -0.2819 0.2294 -0.0994 346 TRP B CZ2 5845 C CZ3 . TRP B 318 ? 1.3515 1.3556 0.9792 -0.2971 0.2586 -0.1130 346 TRP B CZ3 5846 C CH2 . TRP B 318 ? 1.2408 1.2176 0.8418 -0.3060 0.2368 -0.1012 346 TRP B CH2 5847 N N . GLN B 319 ? 0.8590 1.0535 0.7924 -0.1101 0.2873 -0.1306 347 GLN B N 5848 C CA . GLN B 319 ? 0.9615 1.1796 0.9165 -0.1008 0.3001 -0.1337 347 GLN B CA 5849 C C . GLN B 319 ? 0.9700 1.2010 0.9268 -0.1186 0.3001 -0.1304 347 GLN B C 5850 O O . GLN B 319 ? 0.9119 1.1375 0.8619 -0.1317 0.2873 -0.1239 347 GLN B O 5851 C CB . GLN B 319 ? 0.9290 1.1706 0.9289 -0.0650 0.2941 -0.1274 347 GLN B CB 5852 C CG . GLN B 319 ? 1.0018 1.2322 1.0033 -0.0452 0.2902 -0.1279 347 GLN B CG 5853 C CD . GLN B 319 ? 1.0258 1.2770 1.0670 -0.0154 0.2831 -0.1213 347 GLN B CD 5854 O OE1 . GLN B 319 ? 1.0307 1.3035 1.0987 -0.0114 0.2800 -0.1171 347 GLN B OE1 5855 N NE2 . GLN B 319 ? 1.0697 1.3133 1.1141 0.0003 0.2821 -0.1242 347 GLN B NE2 5856 N N . ASN B 320 ? 0.8657 1.1143 0.8318 -0.1194 0.3146 -0.1349 348 ASN B N 5857 C CA . ASN B 320 ? 0.8662 1.1341 0.8453 -0.1296 0.3146 -0.1312 348 ASN B CA 5858 C C . ASN B 320 ? 0.7992 1.0965 0.8278 -0.1000 0.3073 -0.1236 348 ASN B C 5859 O O . ASN B 320 ? 0.8321 1.1379 0.8809 -0.0746 0.3097 -0.1230 348 ASN B O 5860 C CB . ASN B 320 ? 1.1611 1.4312 1.1203 -0.1503 0.3350 -0.1401 348 ASN B CB 5861 C CG . ASN B 320 ? 1.3205 1.6020 1.2930 -0.1324 0.3518 -0.1479 348 ASN B CG 5862 O OD1 . ASN B 320 ? 1.2700 1.5484 1.2535 -0.1097 0.3491 -0.1480 348 ASN B OD1 5863 N ND2 . ASN B 320 ? 1.5716 1.8664 1.5426 -0.1433 0.3694 -0.1543 348 ASN B ND2 5864 N N . ARG B 321 ? 1.0407 1.3505 1.0856 -0.1041 0.2969 -0.1164 349 ARG B N 5865 C CA . ARG B 321 ? 0.9491 1.2835 1.0361 -0.0804 0.2893 -0.1081 349 ARG B CA 5866 C C . ARG B 321 ? 0.9276 1.2785 1.0221 -0.0970 0.2915 -0.1072 349 ARG B C 5867 O O . ARG B 321 ? 1.0004 1.3411 1.0684 -0.1250 0.2927 -0.1099 349 ARG B O 5868 C CB . ARG B 321 ? 0.6968 1.0262 0.8009 -0.0620 0.2683 -0.0980 349 ARG B CB 5869 C CG . ARG B 321 ? 0.6855 0.9982 0.7823 -0.0473 0.2647 -0.0992 349 ARG B CG 5870 C CD . ARG B 321 ? 0.7403 1.0671 0.8623 -0.0259 0.2700 -0.1041 349 ARG B CD 5871 N NE . ARG B 321 ? 0.6945 1.0403 0.8504 -0.0133 0.2597 -0.0988 349 ARG B NE 5872 C CZ . ARG B 321 ? 0.5943 0.9350 0.7633 0.0006 0.2429 -0.0917 349 ARG B CZ 5873 N NH1 . ARG B 321 ? 0.5280 0.8475 0.6819 0.0047 0.2347 -0.0889 349 ARG B NH1 5874 N NH2 . ARG B 321 ? 0.5046 0.8610 0.7009 0.0095 0.2345 -0.0876 349 ARG B NH2 5875 N N . ASP B 322 ? 0.8650 1.2418 0.9936 -0.0836 0.2929 -0.1059 350 ASP B N 5876 C CA . ASP B 322 ? 0.9453 1.3388 1.0844 -0.0969 0.2933 -0.1035 350 ASP B CA 5877 C C . ASP B 322 ? 0.7463 1.1297 0.8816 -0.1053 0.2748 -0.0956 350 ASP B C 5878 O O . ASP B 322 ? 0.5344 0.9128 0.6843 -0.0875 0.2587 -0.0882 350 ASP B O 5879 C CB . ASP B 322 ? 0.9993 1.4237 1.1780 -0.0822 0.2961 -0.1062 350 ASP B CB 5880 C CG . ASP B 322 ? 1.0729 1.5141 1.2661 -0.0935 0.2917 -0.1024 350 ASP B CG 5881 O OD1 . ASP B 322 ? 1.2415 1.6769 1.4137 -0.1165 0.2961 -0.1013 350 ASP B OD1 5882 O OD2 . ASP B 322 ? 1.0136 1.4726 1.2377 -0.0803 0.2833 -0.1001 350 ASP B OD2 5883 N N . CYS B 323 ? 0.8676 1.2481 0.9821 -0.1347 0.2778 -0.0985 351 CYS B N 5884 C CA . CYS B 323 ? 0.7540 1.1231 0.8582 -0.1488 0.2622 -0.0933 351 CYS B CA 5885 C C . CYS B 323 ? 0.6620 1.0462 0.8007 -0.1341 0.2472 -0.0857 351 CYS B C 5886 O O . CYS B 323 ? 0.5796 0.9552 0.7152 -0.1405 0.2327 -0.0809 351 CYS B O 5887 C CB . CYS B 323 ? 0.8845 1.2449 0.9550 -0.1851 0.2691 -0.0958 351 CYS B CB 5888 S SG . CYS B 323 ? 1.1568 1.4927 1.1787 -0.2061 0.2856 -0.1039 351 CYS B SG 5889 N N . SER B 324 ? 0.8462 1.2513 1.0161 -0.1156 0.2501 -0.0839 352 SER B N 5890 C CA . SER B 324 ? 0.7674 1.1836 0.9660 -0.1040 0.2360 -0.0765 352 SER B CA 5891 C C . SER B 324 ? 0.6269 1.0373 0.8402 -0.0806 0.2218 -0.0740 352 SER B C 5892 O O . SER B 324 ? 0.5362 0.9509 0.7667 -0.0743 0.2080 -0.0701 352 SER B O 5893 C CB . SER B 324 ? 0.8480 1.2942 1.0717 -0.1027 0.2458 -0.0820 352 SER B CB 5894 O OG . SER B 324 ? 0.8442 1.3017 1.0804 -0.0866 0.2561 -0.0884 352 SER B OG 5895 N N . ILE B 325 ? 0.8230 1.2223 1.0282 -0.0686 0.2247 -0.0763 353 ILE B N 5896 C CA . ILE B 325 ? 0.7138 1.1075 0.9323 -0.0470 0.2123 -0.0740 353 ILE B CA 5897 C C . ILE B 325 ? 0.4808 0.8557 0.6916 -0.0480 0.1952 -0.0663 353 ILE B C 5898 O O . ILE B 325 ? 0.5071 0.8670 0.6960 -0.0626 0.1951 -0.0629 353 ILE B O 5899 C CB . ILE B 325 ? 0.8405 1.2266 1.0512 -0.0357 0.2209 -0.0784 353 ILE B CB 5900 C CG1 . ILE B 325 ? 1.1665 1.5729 1.3875 -0.0343 0.2388 -0.0861 353 ILE B CG1 5901 C CG2 . ILE B 325 ? 0.6586 1.0381 0.8818 -0.0147 0.2085 -0.0753 353 ILE B CG2 5902 C CD1 . ILE B 325 ? 1.2295 1.6591 1.4829 -0.0220 0.2360 -0.0861 353 ILE B CD1 5903 N N . ALA B 326 ? 0.6260 1.0013 0.8544 -0.0334 0.1809 -0.0632 354 ALA B N 5904 C CA . ALA B 326 ? 0.4788 0.8379 0.7036 -0.0320 0.1648 -0.0565 354 ALA B CA 5905 C C . ALA B 326 ? 0.3907 0.7316 0.6051 -0.0211 0.1612 -0.0551 354 ALA B C 5906 O O . ALA B 326 ? 0.4848 0.8265 0.7064 -0.0061 0.1619 -0.0574 354 ALA B O 5907 C CB . ALA B 326 ? 0.2847 0.6508 0.5296 -0.0230 0.1515 -0.0545 354 ALA B CB 5908 N N . LEU B 327 ? 0.3577 0.6827 0.5556 -0.0297 0.1575 -0.0505 355 LEU B N 5909 C CA . LEU B 327 ? 0.3294 0.6377 0.5152 -0.0223 0.1556 -0.0492 355 LEU B CA 5910 C C . LEU B 327 ? 0.2660 0.5665 0.4488 -0.0300 0.1431 -0.0470 355 LEU B C 5911 O O . LEU B 327 ? 0.3141 0.6222 0.4980 -0.0467 0.1395 -0.0481 355 LEU B O 5912 C CB . LEU B 327 ? 0.5019 0.8079 0.6650 -0.0336 0.1719 -0.0573 355 LEU B CB 5913 C CG . LEU B 327 ? 0.7183 1.0327 0.8839 -0.0254 0.1861 -0.0622 355 LEU B CG 5914 C CD1 . LEU B 327 ? 0.8524 1.1612 0.9907 -0.0415 0.2022 -0.0701 355 LEU B CD1 5915 C CD2 . LEU B 327 ? 0.5905 0.9023 0.7676 -0.0046 0.1820 -0.0633 355 LEU B CD2 5916 N N . PRO B 328 ? 0.2956 0.5828 0.4756 -0.0198 0.1362 -0.0445 356 PRO B N 5917 C CA . PRO B 328 ? 0.2382 0.5228 0.4134 -0.0323 0.1278 -0.0458 356 PRO B CA 5918 C C . PRO B 328 ? 0.3988 0.6849 0.5459 -0.0625 0.1404 -0.0539 356 PRO B C 5919 O O . PRO B 328 ? 0.5322 0.8178 0.6622 -0.0701 0.1557 -0.0597 356 PRO B O 5920 C CB . PRO B 328 ? 0.1908 0.4607 0.3684 -0.0135 0.1201 -0.0414 356 PRO B CB 5921 C CG . PRO B 328 ? 0.2314 0.4945 0.4061 0.0028 0.1286 -0.0391 356 PRO B CG 5922 C CD . PRO B 328 ? 0.2744 0.5525 0.4582 0.0011 0.1348 -0.0420 356 PRO B CD 5923 N N . TYR B 329 ? 0.2556 0.5400 0.3943 -0.0829 0.1329 -0.0512 357 TYR B N 5924 C CA . TYR B 329 ? 0.3506 0.6240 0.4492 -0.1196 0.1416 -0.0512 357 TYR B CA 5925 C C . TYR B 329 ? 0.3427 0.5920 0.4236 -0.1325 0.1228 -0.0402 357 TYR B C 5926 O O . TYR B 329 ? 0.2602 0.5082 0.3677 -0.1154 0.1020 -0.0335 357 TYR B O 5927 C CB . TYR B 329 ? 0.3969 0.6733 0.4880 -0.1409 0.1426 -0.0479 357 TYR B CB 5928 C CG . TYR B 329 ? 0.3263 0.6099 0.4432 -0.1416 0.1239 -0.0392 357 TYR B CG 5929 C CD1 . TYR B 329 ? 0.2443 0.5432 0.4004 -0.1121 0.1170 -0.0409 357 TYR B CD1 5930 C CD2 . TYR B 329 ? 0.3587 0.6134 0.4511 -0.1661 0.1049 -0.0253 357 TYR B CD2 5931 C CE1 . TYR B 329 ? 0.2105 0.5125 0.3883 -0.1117 0.1000 -0.0343 357 TYR B CE1 5932 C CE2 . TYR B 329 ? 0.3053 0.5559 0.4194 -0.1617 0.0835 -0.0168 357 TYR B CE2 5933 C CZ . TYR B 329 ? 0.2281 0.5146 0.3907 -0.1395 0.0859 -0.0241 357 TYR B CZ 5934 O OH . TYR B 329 ? 0.2130 0.4951 0.3969 -0.1345 0.0661 -0.0174 357 TYR B OH 5935 N N . VAL B 330 ? 0.3290 0.5432 0.3585 -0.1567 0.1219 -0.0353 358 VAL B N 5936 C CA . VAL B 330 ? 0.3512 0.5229 0.3524 -0.1644 0.0948 -0.0209 358 VAL B CA 5937 C C . VAL B 330 ? 0.4232 0.5651 0.3900 -0.1940 0.0797 -0.0070 358 VAL B C 5938 O O . VAL B 330 ? 0.5157 0.6529 0.4493 -0.2184 0.0957 -0.0097 358 VAL B O 5939 C CB . VAL B 330 ? 0.4133 0.5635 0.3786 -0.1692 0.1023 -0.0251 358 VAL B CB 5940 C CG1 . VAL B 330 ? 0.4061 0.5218 0.3583 -0.1688 0.0719 -0.0110 358 VAL B CG1 5941 C CG2 . VAL B 330 ? 0.3671 0.5484 0.3613 -0.1443 0.1255 -0.0418 358 VAL B CG2 5942 N N . CYS B 331 ? 0.4590 0.5801 0.4337 -0.1917 0.0491 0.0080 359 CYS B N 5943 C CA . CYS B 331 ? 0.5278 0.6133 0.4686 -0.2183 0.0293 0.0240 359 CYS B CA 5944 C C . CYS B 331 ? 0.6590 0.7025 0.5652 -0.2275 0.0057 0.0373 359 CYS B C 5945 O O . CYS B 331 ? 0.5069 0.5502 0.4309 -0.2079 -0.0046 0.0375 359 CYS B O 5946 C CB . CYS B 331 ? 0.4398 0.5290 0.4144 -0.2107 0.0104 0.0323 359 CYS B CB 5947 S SG . CYS B 331 ? 0.4417 0.5764 0.4559 -0.2034 0.0318 0.0196 359 CYS B SG 5948 N N . LYS B 332 ? 0.5620 0.5701 0.4180 -0.2586 -0.0035 0.0490 360 LYS B N 5949 C CA . LYS B 332 ? 0.5788 0.5447 0.3938 -0.2731 -0.0263 0.0628 360 LYS B CA 5950 C C . LYS B 332 ? 0.6446 0.5760 0.4363 -0.2951 -0.0525 0.0826 360 LYS B C 5951 O O . LYS B 332 ? 0.7752 0.7086 0.5571 -0.3114 -0.0434 0.0831 360 LYS B O 5952 C CB . LYS B 332 ? 0.6965 0.6506 0.4598 -0.2928 -0.0054 0.0546 360 LYS B CB 5953 C CG . LYS B 332 ? 0.8807 0.7875 0.5878 -0.3171 -0.0270 0.0691 360 LYS B CG 5954 C CD . LYS B 332 ? 0.9637 0.8613 0.6185 -0.3376 -0.0012 0.0578 360 LYS B CD 5955 C CE . LYS B 332 ? 1.0856 0.9340 0.6772 -0.3665 -0.0224 0.0726 360 LYS B CE 5956 N NZ . LYS B 332 ? 1.2643 1.1023 0.8007 -0.3892 0.0050 0.0604 360 LYS B NZ 5957 N N . LYS B 333 ? 0.7795 0.6803 0.5657 -0.2947 -0.0855 0.0991 361 LYS B N 5958 C CA . LYS B 333 ? 1.0507 0.9125 0.8091 -0.3169 -0.1132 0.1199 361 LYS B CA 5959 C C . LYS B 333 ? 1.2318 1.0578 0.9641 -0.3236 -0.1426 0.1353 361 LYS B C 5960 O O . LYS B 333 ? 1.1517 0.9870 0.9016 -0.3056 -0.1453 0.1305 361 LYS B O 5961 C CB . LYS B 333 ? 0.9223 0.7912 0.7271 -0.3018 -0.1290 0.1263 361 LYS B CB 5962 C CG . LYS B 333 ? 0.8051 0.6812 0.6592 -0.2713 -0.1503 0.1297 361 LYS B CG 5963 C CD . LYS B 333 ? 0.7356 0.6173 0.6333 -0.2572 -0.1635 0.1341 361 LYS B CD 5964 C CE . LYS B 333 ? 0.6221 0.5167 0.5723 -0.2250 -0.1794 0.1342 361 LYS B CE 5965 N NZ . LYS B 333 ? 0.4841 0.3873 0.4800 -0.2082 -0.1887 0.1351 361 LYS B NZ 5966 N N . LYS B 334 ? 0.9985 0.7866 0.6893 -0.3463 -0.1648 0.1525 362 LYS B N 5967 C CA . LYS B 334 ? 1.1304 0.8878 0.7923 -0.3510 -0.1945 0.1657 362 LYS B CA 5968 C C . LYS B 334 ? 1.2536 0.9920 0.9253 -0.3467 -0.2286 0.1825 362 LYS B C 5969 O O . LYS B 334 ? 1.4046 1.1178 1.0333 -0.3669 -0.2418 0.1904 362 LYS B O 5970 C CB . LYS B 334 ? 1.2442 0.9808 0.8370 -0.3797 -0.1849 0.1623 362 LYS B CB 5971 C CG . LYS B 334 ? 1.3285 1.0836 0.9068 -0.3861 -0.1461 0.1435 362 LYS B CG 5972 C CD . LYS B 334 ? 1.6727 1.4055 1.1827 -0.4141 -0.1369 0.1381 362 LYS B CD 5973 C CE . LYS B 334 ? 1.8656 1.5672 1.3469 -0.4215 -0.1684 0.1486 362 LYS B CE 5974 N NZ . LYS B 334 ? 2.0822 1.7632 1.5021 -0.4482 -0.1571 0.1390 362 LYS B NZ 5975 N N . PRO B 335 ? 1.2767 1.0273 1.0061 -0.3204 -0.2436 0.1869 363 PRO B N 5976 C CA . PRO B 335 ? 1.3251 1.0610 1.0696 -0.3146 -0.2721 0.2002 363 PRO B CA 5977 C C . PRO B 335 ? 1.6847 1.3960 1.4108 -0.3212 -0.3073 0.2129 363 PRO B C 5978 O O . PRO B 335 ? 1.8542 1.5504 1.5830 -0.3242 -0.3298 0.2222 363 PRO B O 5979 C CB . PRO B 335 ? 1.0535 0.8132 0.8676 -0.2833 -0.2744 0.1972 363 PRO B CB 5980 C CG . PRO B 335 ? 0.9712 0.7487 0.8032 -0.2717 -0.2645 0.1891 363 PRO B CG 5981 C CD . PRO B 335 ? 1.0515 0.8295 0.8357 -0.2947 -0.2367 0.1787 363 PRO B CD 5982 N N . ASN B 336 ? 1.3663 1.0742 1.0777 -0.3248 -0.3128 0.2118 364 ASN B N 5983 C CA . ASN B 336 ? 1.5821 1.2719 1.2901 -0.3315 -0.3457 0.2198 364 ASN B CA 5984 C C . ASN B 336 ? 1.5892 1.2876 1.3650 -0.3047 -0.3626 0.2237 364 ASN B C 5985 O O . ASN B 336 ? 1.6970 1.3788 1.4784 -0.3091 -0.3831 0.2314 364 ASN B O 5986 C CB . ASN B 336 ? 1.7928 1.4523 1.4461 -0.3617 -0.3570 0.2263 364 ASN B CB 5987 C CG . ASN B 336 ? 1.8718 1.5177 1.4619 -0.3883 -0.3421 0.2200 364 ASN B CG 5988 O OD1 . ASN B 336 ? 1.8242 1.4763 1.3857 -0.3969 -0.3111 0.2112 364 ASN B OD1 5989 N ND2 . ASN B 336 ? 1.9801 1.6084 1.5566 -0.3964 -0.3542 0.2235 364 ASN B ND2 5990 N N . ALA B 337 ? 1.5612 1.2857 1.3888 -0.2778 -0.3522 0.2168 365 ALA B N 5991 C CA . ALA B 337 ? 1.5164 1.2515 1.4107 -0.2523 -0.3609 0.2154 365 ALA B CA 5992 C C . ALA B 337 ? 1.2708 1.0318 1.2114 -0.2271 -0.3441 0.2055 365 ALA B C 5993 O O . ALA B 337 ? 1.0434 0.8240 1.0230 -0.2080 -0.3335 0.1992 365 ALA B O 5994 C CB . ALA B 337 ? 1.5293 1.2655 1.4441 -0.2465 -0.3671 0.2176 365 ALA B CB 5995 N N . ILE B 414 ? 2.5042 2.0156 1.2779 -0.7852 0.3704 -0.1819 442 ILE B N 5996 C CA . ILE B 414 ? 2.5118 1.9840 1.2462 -0.8072 0.3303 -0.1601 442 ILE B CA 5997 C C . ILE B 414 ? 2.4649 1.9206 1.2029 -0.7928 0.3137 -0.1556 442 ILE B C 5998 O O . ILE B 414 ? 2.4623 1.9246 1.2143 -0.7751 0.3351 -0.1712 442 ILE B O 5999 C CB . ILE B 414 ? 2.2573 1.7447 1.0145 -0.8039 0.3049 -0.1417 442 ILE B CB 6000 C CG1 . ILE B 414 ? 2.1024 1.6446 0.9308 -0.7669 0.3233 -0.1497 442 ILE B CG1 6001 C CG2 . ILE B 414 ? 2.4606 1.9283 1.1724 -0.8407 0.2985 -0.1344 442 ILE B CG2 6002 C CD1 . ILE B 414 ? 2.0142 1.5735 0.8689 -0.7609 0.3000 -0.1326 442 ILE B CD1 6003 N N . GLY B 415 ? 2.7695 2.2037 1.4956 -0.8001 0.2745 -0.1338 443 GLY B N 6004 C CA . GLY B 415 ? 2.7175 2.1333 1.4432 -0.7902 0.2551 -0.1271 443 GLY B CA 6005 C C . GLY B 415 ? 2.3602 1.8115 1.1499 -0.7498 0.2502 -0.1248 443 GLY B C 6006 O O . GLY B 415 ? 2.2554 1.6940 1.0496 -0.7417 0.2251 -0.1130 443 GLY B O 6007 N N . LEU B 416 ? 2.8068 2.3028 1.6468 -0.7246 0.2735 -0.1355 444 LEU B N 6008 C CA . LEU B 416 ? 2.3967 1.9287 1.2989 -0.6860 0.2708 -0.1342 444 LEU B CA 6009 C C . LEU B 416 ? 2.2670 1.8102 1.1926 -0.6607 0.2944 -0.1518 444 LEU B C 6010 O O . LEU B 416 ? 2.3290 1.8806 1.2537 -0.6594 0.3266 -0.1708 444 LEU B O 6011 C CB . LEU B 416 ? 2.2487 1.8240 1.1961 -0.6705 0.2828 -0.1363 444 LEU B CB 6012 C CG . LEU B 416 ? 1.8923 1.4991 0.8964 -0.6383 0.2686 -0.1273 444 LEU B CG 6013 C CD1 . LEU B 416 ? 1.8072 1.3876 0.7918 -0.6502 0.2267 -0.1035 444 LEU B CD1 6014 C CD2 . LEU B 416 ? 1.7064 1.3572 0.7560 -0.6230 0.2831 -0.1307 444 LEU B CD2 6015 N N . ASN B 417 ? 2.3464 1.8888 1.2924 -0.6408 0.2777 -0.1453 445 ASN B N 6016 C CA . ASN B 417 ? 2.2758 1.8273 1.2452 -0.6154 0.2966 -0.1605 445 ASN B CA 6017 C C . ASN B 417 ? 1.9137 1.4877 0.9321 -0.5830 0.2816 -0.1530 445 ASN B C 6018 O O . ASN B 417 ? 1.7904 1.3526 0.8037 -0.5882 0.2495 -0.1340 445 ASN B O 6019 C CB . ASN B 417 ? 2.4559 1.9627 1.3725 -0.6364 0.2938 -0.1632 445 ASN B CB 6020 C CG . ASN B 417 ? 2.3515 1.8267 1.2432 -0.6490 0.2547 -0.1423 445 ASN B CG 6021 O OD1 . ASN B 417 ? 2.2761 1.7415 1.1722 -0.6369 0.2475 -0.1421 445 ASN B OD1 6022 N ND2 . ASN B 417 ? 2.3585 1.8179 1.2253 -0.6731 0.2285 -0.1242 445 ASN B ND2 6023 N N . ASP B 418 ? 2.1810 1.7876 1.2479 -0.5495 0.3046 -0.1677 446 ASP B N 6024 C CA . ASP B 418 ? 1.8637 1.4880 0.9736 -0.5178 0.2951 -0.1646 446 ASP B CA 6025 C C . ASP B 418 ? 2.0076 1.6084 1.1025 -0.5125 0.2980 -0.1722 446 ASP B C 6026 O O . ASP B 418 ? 1.8624 1.4781 0.9935 -0.4845 0.2955 -0.1734 446 ASP B O 6027 C CB . ASP B 418 ? 1.6099 1.2855 0.7862 -0.4827 0.3151 -0.1741 446 ASP B CB 6028 C CG . ASP B 418 ? 1.8043 1.4949 0.9926 -0.4734 0.3501 -0.1950 446 ASP B CG 6029 O OD1 . ASP B 418 ? 1.9775 1.6779 1.1595 -0.4863 0.3648 -0.1998 446 ASP B OD1 6030 O OD2 . ASP B 418 ? 1.8001 1.4930 1.0051 -0.4527 0.3626 -0.2064 446 ASP B OD2 6031 N N . LEU B 419 ? 1.9057 1.4700 0.9476 -0.5392 0.3042 -0.1779 447 LEU B N 6032 C CA . LEU B 419 ? 2.0744 1.6158 1.0999 -0.5354 0.3118 -0.1879 447 LEU B CA 6033 C C . LEU B 419 ? 1.9489 1.4776 0.9788 -0.5262 0.2849 -0.1756 447 LEU B C 6034 O O . LEU B 419 ? 1.9069 1.4344 0.9504 -0.5074 0.2934 -0.1851 447 LEU B O 6035 C CB . LEU B 419 ? 2.4024 1.9014 1.3620 -0.5721 0.3163 -0.1916 447 LEU B CB 6036 C CG . LEU B 419 ? 2.6501 2.1571 1.6022 -0.5782 0.3509 -0.2104 447 LEU B CG 6037 C CD1 . LEU B 419 ? 2.9532 2.4245 1.8412 -0.6211 0.3465 -0.2061 447 LEU B CD1 6038 C CD2 . LEU B 419 ? 2.7173 2.2221 1.6767 -0.5613 0.3766 -0.2302 447 LEU B CD2 6039 N N . LYS B 420 ? 2.3103 1.8288 1.3290 -0.5392 0.2520 -0.1545 448 LYS B N 6040 C CA . LYS B 420 ? 2.1660 1.6732 1.1894 -0.5312 0.2250 -0.1418 448 LYS B CA 6041 C C . LYS B 420 ? 1.9025 1.4473 0.9873 -0.4909 0.2325 -0.1476 448 LYS B C 6042 O O . LYS B 420 ? 1.8687 1.4086 0.9629 -0.4751 0.2347 -0.1536 448 LYS B O 6043 C CB . LYS B 420 ? 2.0885 1.5810 1.0936 -0.5513 0.1873 -0.1169 448 LYS B CB 6044 C CG . LYS B 420 ? 1.8998 1.3806 0.9098 -0.5449 0.1561 -0.1014 448 LYS B CG 6045 C CD . LYS B 420 ? 1.8170 1.2780 0.8051 -0.5678 0.1170 -0.0757 448 LYS B CD 6046 C CE . LYS B 420 ? 1.5691 1.0324 0.5807 -0.5534 0.0857 -0.0590 448 LYS B CE 6047 N NZ . LYS B 420 ? 1.6009 1.0425 0.5980 -0.5520 0.0814 -0.0615 448 LYS B NZ 6048 N N . LEU B 421 ? 2.2349 1.8173 1.3618 -0.4743 0.2363 -0.1457 449 LEU B N 6049 C CA . LEU B 421 ? 1.8682 1.4900 1.0562 -0.4358 0.2474 -0.1529 449 LEU B CA 6050 C C . LEU B 421 ? 1.7280 1.3885 0.9522 -0.4235 0.2692 -0.1609 449 LEU B C 6051 O O . LEU B 421 ? 1.6725 1.3366 0.8870 -0.4400 0.2617 -0.1519 449 LEU B O 6052 C CB . LEU B 421 ? 1.6219 1.2510 0.8313 -0.4241 0.2186 -0.1364 449 LEU B CB 6053 C CG . LEU B 421 ? 1.4708 1.1025 0.6774 -0.4367 0.1911 -0.1158 449 LEU B CG 6054 C CD1 . LEU B 421 ? 1.2258 0.8748 0.4687 -0.4139 0.1717 -0.1056 449 LEU B CD1 6055 C CD2 . LEU B 421 ? 1.6455 1.2345 0.7945 -0.4738 0.1656 -0.1006 449 LEU B CD2 6056 N N . GLN B 422 ? 1.6176 1.3064 0.8842 -0.3945 0.2946 -0.1769 450 GLN B N 6057 C CA . GLN B 422 ? 1.6665 1.3911 0.9669 -0.3827 0.3174 -0.1861 450 GLN B CA 6058 C C . GLN B 422 ? 1.4943 1.2486 0.8260 -0.3768 0.3056 -0.1741 450 GLN B C 6059 O O . GLN B 422 ? 1.2900 1.0566 0.6486 -0.3609 0.2886 -0.1644 450 GLN B O 6060 C CB . GLN B 422 ? 1.6755 1.4272 1.0237 -0.3476 0.3397 -0.2014 450 GLN B CB 6061 C CG . GLN B 422 ? 2.0286 1.7695 1.3583 -0.3529 0.3661 -0.2186 450 GLN B CG 6062 C CD . GLN B 422 ? 2.1319 1.9049 1.4865 -0.3478 0.3876 -0.2265 450 GLN B CD 6063 O OE1 . GLN B 422 ? 2.1906 1.9497 1.5093 -0.3735 0.3984 -0.2310 450 GLN B OE1 6064 N NE2 . GLN B 422 ? 2.1576 1.9739 1.5740 -0.3149 0.3932 -0.2278 450 GLN B NE2 6065 N N . MET B 423 ? 1.7876 1.5532 1.1149 -0.3904 0.3154 -0.1752 451 MET B N 6066 C CA . MET B 423 ? 1.5622 1.3566 0.9176 -0.3872 0.3082 -0.1658 451 MET B CA 6067 C C . MET B 423 ? 1.3503 1.1261 0.6836 -0.4036 0.2760 -0.1456 451 MET B C 6068 O O . MET B 423 ? 1.2533 1.0534 0.6165 -0.3949 0.2661 -0.1362 451 MET B O 6069 C CB . MET B 423 ? 1.3878 1.2295 0.8134 -0.3479 0.3180 -0.1706 451 MET B CB 6070 C CG . MET B 423 ? 1.5571 1.4269 1.0125 -0.3327 0.3467 -0.1861 451 MET B CG 6071 S SD . MET B 423 ? 1.9264 1.8033 1.3636 -0.3588 0.3583 -0.1870 451 MET B SD 6072 C CE . MET B 423 ? 1.4944 1.4209 0.9943 -0.3257 0.3848 -0.2005 451 MET B CE 6073 N N . ASN B 424 ? 1.5128 1.2457 0.7943 -0.4278 0.2581 -0.1379 452 ASN B N 6074 C CA . ASN B 424 ? 1.5346 1.2441 0.7869 -0.4492 0.2249 -0.1169 452 ASN B CA 6075 C C . ASN B 424 ? 1.8742 1.5449 1.0653 -0.4871 0.2202 -0.1139 452 ASN B C 6076 O O . ASN B 424 ? 2.0463 1.6868 1.2022 -0.4993 0.2224 -0.1192 452 ASN B O 6077 C CB . ASN B 424 ? 1.4251 1.1197 0.6773 -0.4405 0.2012 -0.1069 452 ASN B CB 6078 C CG . ASN B 424 ? 1.4267 1.0986 0.6538 -0.4605 0.1636 -0.0832 452 ASN B CG 6079 O OD1 . ASN B 424 ? 1.2928 0.9843 0.5455 -0.4531 0.1506 -0.0717 452 ASN B OD1 6080 N ND2 . ASN B 424 ? 1.6022 1.2324 0.7809 -0.4855 0.1448 -0.0749 452 ASN B ND2 6081 N N . PHE B 425 ? 1.5340 1.2044 0.7116 -0.5063 0.2135 -0.1055 453 PHE B N 6082 C CA . PHE B 425 ? 1.8335 1.4747 0.9591 -0.5403 0.2173 -0.1070 453 PHE B CA 6083 C C . PHE B 425 ? 1.9311 1.5314 1.0099 -0.5697 0.1810 -0.0862 453 PHE B C 6084 O O . PHE B 425 ? 1.6455 1.2482 0.7359 -0.5682 0.1536 -0.0684 453 PHE B O 6085 C CB . PHE B 425 ? 1.8102 1.4760 0.9479 -0.5447 0.2361 -0.1131 453 PHE B CB 6086 C CG . PHE B 425 ? 1.8041 1.5003 0.9732 -0.5250 0.2737 -0.1352 453 PHE B CG 6087 C CD1 . PHE B 425 ? 1.5706 1.3104 0.8024 -0.4892 0.2857 -0.1414 453 PHE B CD1 6088 C CD2 . PHE B 425 ? 2.0503 1.7309 1.1871 -0.5415 0.2959 -0.1492 453 PHE B CD2 6089 C CE1 . PHE B 425 ? 1.6627 1.4306 0.9265 -0.4695 0.3171 -0.1600 453 PHE B CE1 6090 C CE2 . PHE B 425 ? 2.1269 1.8356 1.2949 -0.5220 0.3290 -0.1686 453 PHE B CE2 6091 C CZ . PHE B 425 ? 1.9529 1.7053 1.1853 -0.4855 0.3386 -0.1735 453 PHE B CZ 6092 N N . GLU B 426 ? 1.8959 1.4585 0.9232 -0.5958 0.1805 -0.0885 454 GLU B N 6093 C CA . GLU B 426 ? 2.0240 1.5444 1.0038 -0.6259 0.1470 -0.0699 454 GLU B CA 6094 C C . GLU B 426 ? 2.3008 1.7943 1.2282 -0.6594 0.1586 -0.0761 454 GLU B C 6095 O O . GLU B 426 ? 2.3900 1.8855 1.3088 -0.6594 0.1901 -0.0956 454 GLU B O 6096 C CB . GLU B 426 ? 2.0453 1.5423 1.0147 -0.6228 0.1291 -0.0640 454 GLU B CB 6097 C CG . GLU B 426 ? 1.7745 1.2985 0.7949 -0.5880 0.1232 -0.0618 454 GLU B CG 6098 C CD . GLU B 426 ? 1.7811 1.2878 0.7940 -0.5811 0.1202 -0.0650 454 GLU B CD 6099 O OE1 . GLU B 426 ? 2.0258 1.4948 0.9918 -0.6064 0.1116 -0.0620 454 GLU B OE1 6100 O OE2 . GLU B 426 ? 1.5525 1.0832 0.6059 -0.5510 0.1264 -0.0705 454 GLU B OE2 6101 N N . TRP B 427 ? 1.8925 1.3613 0.7861 -0.6874 0.1331 -0.0597 455 TRP B N 6102 C CA . TRP B 427 ? 2.2846 1.7224 1.1224 -0.7227 0.1396 -0.0632 455 TRP B CA 6103 C C . TRP B 427 ? 2.4621 1.8613 1.2584 -0.7389 0.1328 -0.0633 455 TRP B C 6104 O O . TRP B 427 ? 2.2729 1.6645 1.0798 -0.7273 0.1137 -0.0549 455 TRP B O 6105 C CB . TRP B 427 ? 2.3938 1.8149 1.2078 -0.7475 0.1116 -0.0445 455 TRP B CB 6106 C CG . TRP B 427 ? 2.4085 1.8571 1.2385 -0.7466 0.1296 -0.0504 455 TRP B CG 6107 C CD1 . TRP B 427 ? 2.5001 1.9722 1.3391 -0.7419 0.1693 -0.0714 455 TRP B CD1 6108 C CD2 . TRP B 427 ? 2.3183 1.7740 1.1586 -0.7501 0.1079 -0.0347 455 TRP B CD2 6109 N NE1 . TRP B 427 ? 2.4554 1.9494 1.3095 -0.7434 0.1739 -0.0694 455 TRP B NE1 6110 C CE2 . TRP B 427 ? 2.3406 1.8241 1.1943 -0.7486 0.1369 -0.0472 455 TRP B CE2 6111 C CE3 . TRP B 427 ? 2.1917 1.6332 1.0329 -0.7537 0.0665 -0.0112 455 TRP B CE3 6112 C CZ2 . TRP B 427 ? 2.2576 1.7535 1.1224 -0.7519 0.1261 -0.0370 455 TRP B CZ2 6113 C CZ3 . TRP B 427 ? 2.0881 1.5414 0.9407 -0.7558 0.0556 -0.0014 455 TRP B CZ3 6114 C CH2 . TRP B 427 ? 2.1357 1.6153 0.9985 -0.7555 0.0855 -0.0142 455 TRP B CH2 6115 N N . SER B 428 ? 2.3196 1.6945 1.0680 -0.7663 0.1496 -0.0733 456 SER B N 6116 C CA . SER B 428 ? 2.4584 1.7974 1.1654 -0.7824 0.1490 -0.0765 456 SER B CA 6117 C C . SER B 428 ? 2.3548 1.6583 1.0351 -0.8009 0.1049 -0.0521 456 SER B C 6118 O O . SER B 428 ? 2.3172 1.6065 0.9959 -0.7951 0.0934 -0.0482 456 SER B O 6119 C CB . SER B 428 ? 2.7934 2.1131 1.4524 -0.8104 0.1752 -0.0913 456 SER B CB 6120 O OG . SER B 428 ? 2.7622 2.1142 1.4488 -0.7910 0.2170 -0.1150 456 SER B OG 6121 N N . ASP B 429 ? 2.4766 1.7658 1.1375 -0.8228 0.0790 -0.0350 457 ASP B N 6122 C CA . ASP B 429 ? 2.5243 1.7802 1.1626 -0.8409 0.0353 -0.0107 457 ASP B CA 6123 C C . ASP B 429 ? 2.2990 1.5725 0.9864 -0.8136 0.0072 0.0051 457 ASP B C 6124 O O . ASP B 429 ? 2.3286 1.5780 1.0064 -0.8236 -0.0295 0.0255 457 ASP B O 6125 C CB . ASP B 429 ? 2.6169 1.8529 1.2221 -0.8711 0.0157 0.0025 457 ASP B CB 6126 C CG . ASP B 429 ? 2.4658 1.7333 1.1103 -0.8553 0.0107 0.0079 457 ASP B CG 6127 O OD1 . ASP B 429 ? 2.2776 1.5838 0.9632 -0.8280 0.0386 -0.0068 457 ASP B OD1 6128 O OD2 . ASP B 429 ? 2.5308 1.7843 1.1661 -0.8696 -0.0214 0.0270 457 ASP B OD2 6129 N N . GLY B 430 ? 2.4913 1.8062 1.2319 -0.7796 0.0231 -0.0034 458 GLY B N 6130 C CA . GLY B 430 ? 2.2401 1.5735 1.0279 -0.7543 -0.0030 0.0117 458 GLY B CA 6131 C C . GLY B 430 ? 2.2685 1.6100 1.0718 -0.7563 -0.0274 0.0279 458 GLY B C 6132 O O . GLY B 430 ? 2.0109 1.3577 0.8449 -0.7426 -0.0582 0.0453 458 GLY B O 6133 N N . SER B 431 ? 2.3074 1.6495 1.0907 -0.7730 -0.0148 0.0228 459 SER B N 6134 C CA . SER B 431 ? 2.4130 1.7635 1.2108 -0.7740 -0.0361 0.0370 459 SER B CA 6135 C C . SER B 431 ? 2.1278 1.5212 0.9870 -0.7374 -0.0312 0.0358 459 SER B C 6136 O O . SER B 431 ? 2.0276 1.4501 0.9140 -0.7148 0.0007 0.0182 459 SER B O 6137 C CB . SER B 431 ? 2.6843 2.0310 1.4501 -0.7973 -0.0178 0.0291 459 SER B CB 6138 O OG . SER B 431 ? 2.5955 1.9607 1.3852 -0.7906 -0.0292 0.0382 459 SER B OG 6139 N N . LEU B 432 ? 2.5607 1.9574 1.4424 -0.7312 -0.0639 0.0549 460 LEU B N 6140 C CA . LEU B 432 ? 2.1972 1.6326 1.1347 -0.6988 -0.0622 0.0559 460 LEU B CA 6141 C C . LEU B 432 ? 2.0977 1.5617 1.0449 -0.6947 -0.0287 0.0412 460 LEU B C 6142 O O . LEU B 432 ? 2.3641 1.8159 1.2795 -0.7185 -0.0246 0.0406 460 LEU B O 6143 C CB . LEU B 432 ? 2.0639 1.4928 1.0198 -0.6959 -0.1058 0.0800 460 LEU B CB 6144 C CG . LEU B 432 ? 1.7173 1.1794 0.7255 -0.6678 -0.1131 0.0866 460 LEU B CG 6145 C CD1 . LEU B 432 ? 1.5896 1.0425 0.6228 -0.6581 -0.1566 0.1081 460 LEU B CD1 6146 C CD2 . LEU B 432 ? 1.7570 1.2247 0.7571 -0.6783 -0.1095 0.0882 460 LEU B CD2 6147 N N . VAL B 433 ? 2.2990 1.8016 1.2912 -0.6646 -0.0044 0.0292 461 VAL B N 6148 C CA . VAL B 433 ? 2.0676 1.6024 1.0778 -0.6573 0.0291 0.0145 461 VAL B CA 6149 C C . VAL B 433 ? 1.8438 1.3984 0.8871 -0.6451 0.0123 0.0280 461 VAL B C 6150 O O . VAL B 433 ? 1.5377 1.1147 0.6247 -0.6180 0.0051 0.0329 461 VAL B O 6151 C CB . VAL B 433 ? 1.7469 1.3141 0.7907 -0.6309 0.0655 -0.0064 461 VAL B CB 6152 C CG1 . VAL B 433 ? 1.6556 1.2582 0.7232 -0.6231 0.0987 -0.0210 461 VAL B CG1 6153 C CG2 . VAL B 433 ? 1.7721 1.3177 0.7843 -0.6410 0.0803 -0.0190 461 VAL B CG2 6154 N N . SER B 434 ? 1.8633 1.4081 0.8847 -0.6656 0.0054 0.0346 462 SER B N 6155 C CA . SER B 434 ? 1.7351 1.3010 0.7871 -0.6547 -0.0034 0.0443 462 SER B CA 6156 C C . SER B 434 ? 1.6913 1.2896 0.7597 -0.6514 0.0331 0.0287 462 SER B C 6157 O O . SER B 434 ? 1.6086 1.2292 0.7082 -0.6398 0.0306 0.0348 462 SER B O 6158 C CB . SER B 434 ? 1.9518 1.4857 0.9739 -0.6771 -0.0404 0.0648 462 SER B CB 6159 O OG . SER B 434 ? 1.8572 1.3767 0.8922 -0.6677 -0.0793 0.0833 462 SER B OG 6160 N N . PHE B 435 ? 1.5794 1.2441 0.7754 -0.3827 0.4943 -0.1082 463 PHE B N 6161 C CA . PHE B 435 ? 1.5880 1.2829 0.7889 -0.3831 0.5028 -0.1028 463 PHE B CA 6162 C C . PHE B 435 ? 1.6640 1.3662 0.8579 -0.3730 0.5175 -0.1038 463 PHE B C 6163 O O . PHE B 435 ? 1.7741 1.4666 0.9640 -0.3641 0.5225 -0.1091 463 PHE B O 6164 C CB . PHE B 435 ? 1.5759 1.2942 0.7909 -0.3844 0.5026 -0.1013 463 PHE B CB 6165 C CG . PHE B 435 ? 1.5883 1.3370 0.8088 -0.3782 0.5166 -0.0992 463 PHE B CG 6166 C CD1 . PHE B 435 ? 1.5935 1.3665 0.8189 -0.3830 0.5210 -0.0933 463 PHE B CD1 6167 C CD2 . PHE B 435 ? 1.5941 1.3482 0.8157 -0.3678 0.5253 -0.1033 463 PHE B CD2 6168 C CE1 . PHE B 435 ? 1.6045 1.4069 0.8363 -0.3777 0.5342 -0.0917 463 PHE B CE1 6169 C CE2 . PHE B 435 ? 1.6145 1.3977 0.8419 -0.3620 0.5382 -0.1018 463 PHE B CE2 6170 C CZ . PHE B 435 ? 1.6340 1.4415 0.8667 -0.3670 0.5429 -0.0961 463 PHE B CZ 6171 N N . THR B 436 ? 1.5893 1.3092 0.7819 -0.3744 0.5245 -0.0991 464 THR B N 6172 C CA . THR B 436 ? 1.6469 1.3819 0.8357 -0.3650 0.5397 -0.0999 464 THR B CA 6173 C C . THR B 436 ? 1.6351 1.4054 0.8343 -0.3682 0.5463 -0.0946 464 THR B C 6174 O O . THR B 436 ? 1.6274 1.4051 0.8320 -0.3784 0.5392 -0.0894 464 THR B O 6175 C CB . THR B 436 ? 1.7370 1.4532 0.9092 -0.3621 0.5436 -0.1006 464 THR B CB 6176 O OG1 . THR B 436 ? 1.7568 1.4776 0.9269 -0.3710 0.5401 -0.0945 464 THR B OG1 6177 C CG2 . THR B 436 ? 1.6965 1.3757 0.8580 -0.3612 0.5359 -0.1051 464 THR B CG2 6178 N N . HIS B 437 ? 1.6188 1.4114 0.8217 -0.3593 0.5599 -0.0962 465 HIS B N 6179 C CA . HIS B 437 ? 1.6348 1.4620 0.8470 -0.3610 0.5688 -0.0920 465 HIS B CA 6180 C C . HIS B 437 ? 1.7733 1.6084 0.9778 -0.3508 0.5835 -0.0951 465 HIS B C 6181 O O . HIS B 437 ? 1.8320 1.6731 1.0374 -0.3398 0.5924 -0.1002 465 HIS B O 6182 C CB . HIS B 437 ? 1.6329 1.4850 0.8610 -0.3607 0.5710 -0.0914 465 HIS B CB 6183 C CG . HIS B 437 ? 1.6729 1.5584 0.9133 -0.3668 0.5758 -0.0859 465 HIS B CG 6184 N ND1 . HIS B 437 ? 1.6935 1.6067 0.9476 -0.3650 0.5823 -0.0852 465 HIS B ND1 6185 C CD2 . HIS B 437 ? 1.6675 1.5632 0.9089 -0.3752 0.5750 -0.0808 465 HIS B CD2 6186 C CE1 . HIS B 437 ? 1.6749 1.6141 0.9385 -0.3721 0.5854 -0.0802 465 HIS B CE1 6187 N NE2 . HIS B 437 ? 1.6709 1.6004 0.9272 -0.3784 0.5811 -0.0775 465 HIS B NE2 6188 N N . TRP B 438 ? 1.6731 1.5101 0.8705 -0.3540 0.5863 -0.0921 466 TRP B N 6189 C CA . TRP B 438 ? 1.8171 1.6572 1.0045 -0.3442 0.5995 -0.0956 466 TRP B CA 6190 C C . TRP B 438 ? 1.9001 1.7783 1.0976 -0.3450 0.6103 -0.0931 466 TRP B C 6191 O O . TRP B 438 ? 1.8155 1.7108 1.0232 -0.3558 0.6058 -0.0871 466 TRP B O 6192 C CB . TRP B 438 ? 1.8187 1.6281 0.9867 -0.3456 0.5955 -0.0952 466 TRP B CB 6193 C CG . TRP B 438 ? 1.7709 1.5418 0.9268 -0.3426 0.5879 -0.0992 466 TRP B CG 6194 C CD1 . TRP B 438 ? 1.6785 1.4246 0.8321 -0.3512 0.5732 -0.0972 466 TRP B CD1 6195 C CD2 . TRP B 438 ? 1.8142 1.5672 0.9589 -0.3301 0.5949 -0.1063 466 TRP B CD2 6196 N NE1 . TRP B 438 ? 1.6820 1.3969 0.8246 -0.3455 0.5708 -0.1026 466 TRP B NE1 6197 C CE2 . TRP B 438 ? 1.7438 1.4617 0.8806 -0.3326 0.5838 -0.1080 466 TRP B CE2 6198 C CE3 . TRP B 438 ? 1.9059 1.6695 1.0473 -0.3168 0.6093 -0.1120 466 TRP B CE3 6199 C CZ2 . TRP B 438 ? 1.8080 1.5012 0.9336 -0.3229 0.5868 -0.1147 466 TRP B CZ2 6200 C CZ3 . TRP B 438 ? 1.9616 1.6998 1.0913 -0.3064 0.6119 -0.1188 466 TRP B CZ3 6201 C CH2 . TRP B 438 ? 1.9000 1.6032 1.0219 -0.3098 0.6007 -0.1199 466 TRP B CH2 6202 N N . HIS B 439 ? 1.7710 1.6628 0.9663 -0.3333 0.6248 -0.0984 467 HIS B N 6203 C CA . HIS B 439 ? 1.7825 1.7064 0.9839 -0.3333 0.6359 -0.0974 467 HIS B CA 6204 C C . HIS B 439 ? 1.7937 1.7026 0.9804 -0.3388 0.6331 -0.0941 467 HIS B C 6205 O O . HIS B 439 ? 1.7984 1.6711 0.9677 -0.3384 0.6262 -0.0945 467 HIS B O 6206 C CB . HIS B 439 ? 1.9823 1.9224 1.1840 -0.3180 0.6519 -0.1053 467 HIS B CB 6207 C CG . HIS B 439 ? 2.2569 2.2416 1.4750 -0.3176 0.6638 -0.1054 467 HIS B CG 6208 N ND1 . HIS B 439 ? 2.2907 2.3046 1.5293 -0.3232 0.6635 -0.1021 467 HIS B ND1 6209 C CD2 . HIS B 439 ? 2.4288 2.4342 1.6463 -0.3118 0.6765 -0.1092 467 HIS B CD2 6210 C CE1 . HIS B 439 ? 2.3884 2.4398 1.6394 -0.3216 0.6754 -0.1035 467 HIS B CE1 6211 N NE2 . HIS B 439 ? 2.4801 2.5282 1.7192 -0.3146 0.6835 -0.1082 467 HIS B NE2 6212 N N . PRO B 440 ? 1.8691 1.8052 1.0627 -0.3447 0.6378 -0.0906 468 PRO B N 6213 C CA . PRO B 440 ? 1.8872 1.8106 1.0651 -0.3482 0.6370 -0.0882 468 PRO B CA 6214 C C . PRO B 440 ? 1.9793 1.8808 1.1364 -0.3347 0.6458 -0.0950 468 PRO B C 6215 O O . PRO B 440 ? 2.0161 1.9302 1.1759 -0.3221 0.6580 -0.1024 468 PRO B O 6216 C CB . PRO B 440 ? 1.9118 1.8768 1.1042 -0.3536 0.6446 -0.0857 468 PRO B CB 6217 C CG . PRO B 440 ? 1.8774 1.8667 1.0927 -0.3602 0.6410 -0.0827 468 PRO B CG 6218 C CD . PRO B 440 ? 1.8455 1.8229 1.0617 -0.3507 0.6416 -0.0877 468 PRO B CD 6219 N N . PHE B 441 ? 1.8815 1.7489 1.0176 -0.3373 0.6391 -0.0925 469 PHE B N 6220 C CA . PHE B 441 ? 1.9887 1.8267 1.1010 -0.3254 0.6452 -0.0981 469 PHE B CA 6221 C C . PHE B 441 ? 1.8842 1.6988 0.9924 -0.3156 0.6447 -0.1042 469 PHE B C 6222 O O . PHE B 441 ? 1.9622 1.7625 1.0565 -0.3022 0.6537 -0.1112 469 PHE B O 6223 C CB . PHE B 441 ? 2.2036 2.0647 1.3131 -0.3151 0.6619 -0.1038 469 PHE B CB 6224 C CG . PHE B 441 ? 2.2677 2.1559 1.3826 -0.3241 0.6638 -0.0990 469 PHE B CG 6225 C CD1 . PHE B 441 ? 2.2808 2.1477 1.3752 -0.3286 0.6598 -0.0947 469 PHE B CD1 6226 C CD2 . PHE B 441 ? 2.2741 2.2093 1.4145 -0.3281 0.6697 -0.0989 469 PHE B CD2 6227 C CE1 . PHE B 441 ? 2.3025 2.1954 1.4026 -0.3368 0.6609 -0.0906 469 PHE B CE1 6228 C CE2 . PHE B 441 ? 2.2928 2.2549 1.4398 -0.3369 0.6715 -0.0951 469 PHE B CE2 6229 C CZ . PHE B 441 ? 2.3063 2.2477 1.4330 -0.3414 0.6671 -0.0911 469 PHE B CZ 6230 N N . GLU B 442 ? 1.9242 1.7337 1.0438 -0.3217 0.6340 -0.1022 470 GLU B N 6231 C CA . GLU B 442 ? 1.9066 1.6936 1.0228 -0.3136 0.6323 -0.1079 470 GLU B CA 6232 C C . GLU B 442 ? 1.8400 1.5929 0.9502 -0.3225 0.6162 -0.1046 470 GLU B C 6233 O O . GLU B 442 ? 1.8111 1.5687 0.9301 -0.3351 0.6054 -0.0982 470 GLU B O 6234 C CB . GLU B 442 ? 1.9206 1.7365 1.0577 -0.3096 0.6366 -0.1109 470 GLU B CB 6235 C CG . GLU B 442 ? 2.0336 1.8876 1.1808 -0.3013 0.6522 -0.1147 470 GLU B CG 6236 C CD . GLU B 442 ? 2.1309 1.9759 1.2652 -0.2845 0.6646 -0.1237 470 GLU B CD 6237 O OE1 . GLU B 442 ? 2.1217 1.9352 1.2442 -0.2779 0.6615 -0.1279 470 GLU B OE1 6238 O OE2 . GLU B 442 ? 2.1945 2.0644 1.3312 -0.2776 0.6774 -0.1273 470 GLU B OE2 6239 N N . PRO B 443 ? 1.8799 1.5986 0.9759 -0.3156 0.6145 -0.1094 471 PRO B N 6240 C CA . PRO B 443 ? 1.9447 1.6519 1.0282 -0.3001 0.6261 -0.1175 471 PRO B CA 6241 C C . PRO B 443 ? 2.1473 1.8427 1.2102 -0.2950 0.6338 -0.1178 471 PRO B C 6242 O O . PRO B 443 ? 2.1953 1.8714 1.2453 -0.3031 0.6268 -0.1122 471 PRO B O 6243 C CB . PRO B 443 ? 1.9106 1.5813 0.9865 -0.2989 0.6177 -0.1207 471 PRO B CB 6244 C CG . PRO B 443 ? 1.8558 1.5101 0.9310 -0.3135 0.6027 -0.1140 471 PRO B CG 6245 C CD . PRO B 443 ? 1.8386 1.5270 0.9317 -0.3234 0.5998 -0.1078 471 PRO B CD 6246 N N . ASN B 444 ? 2.0050 1.7120 1.0645 -0.2807 0.6483 -0.1248 472 ASN B N 6247 C CA . ASN B 444 ? 2.1885 1.8901 1.2298 -0.2732 0.6581 -0.1266 472 ASN B CA 6248 C C . ASN B 444 ? 2.2921 1.9550 1.3101 -0.2598 0.6621 -0.1333 472 ASN B C 6249 O O . ASN B 444 ? 2.2679 1.8990 1.2628 -0.2607 0.6594 -0.1308 472 ASN B O 6250 C CB . ASN B 444 ? 2.2783 2.0236 1.3332 -0.2659 0.6723 -0.1305 472 ASN B CB 6251 C CG . ASN B 444 ? 2.3301 2.0957 1.4016 -0.2557 0.6791 -0.1378 472 ASN B CG 6252 O OD1 . ASN B 444 ? 2.3327 2.0751 1.3993 -0.2490 0.6767 -0.1424 472 ASN B OD1 6253 N ND2 . ASN B 444 ? 2.3755 2.1854 1.4673 -0.2547 0.6873 -0.1390 472 ASN B ND2 6254 N N . ASN B 445 ? 2.3043 1.9686 1.3274 -0.2472 0.6684 -0.1418 473 ASN B N 6255 C CA . ASN B 445 ? 2.4195 2.0578 1.4233 -0.2301 0.6770 -0.1504 473 ASN B CA 6256 C C . ASN B 445 ? 2.6297 2.2823 1.6246 -0.2192 0.6906 -0.1542 473 ASN B C 6257 O O . ASN B 445 ? 2.6933 2.3201 1.6643 -0.2166 0.6918 -0.1529 473 ASN B O 6258 C CB . ASN B 445 ? 2.2934 1.8806 1.2737 -0.2326 0.6682 -0.1486 473 ASN B CB 6259 C CG . ASN B 445 ? 2.0778 1.6499 1.0672 -0.2389 0.6573 -0.1485 473 ASN B CG 6260 O OD1 . ASN B 445 ? 2.0502 1.5969 1.0312 -0.2298 0.6582 -0.1549 473 ASN B OD1 6261 N ND2 . ASN B 445 ? 1.9590 1.5465 0.9656 -0.2541 0.6468 -0.1418 473 ASN B ND2 6262 N N . PHE B 446 ? 2.3489 2.0437 1.3641 -0.2126 0.7008 -0.1591 474 PHE B N 6263 C CA . PHE B 446 ? 2.4589 2.1851 1.4848 -0.2038 0.7062 -0.1603 474 PHE B CA 6264 C C . PHE B 446 ? 2.5771 2.2823 1.6019 -0.1831 0.6939 -0.1612 474 PHE B C 6265 O O . PHE B 446 ? 2.6370 2.3146 1.6500 -0.1695 0.6955 -0.1679 474 PHE B O 6266 C CB . PHE B 446 ? 2.5092 2.2782 1.5577 -0.1944 0.7184 -0.1682 474 PHE B CB 6267 C CG . PHE B 446 ? 2.4609 2.2740 1.5286 -0.2093 0.7234 -0.1640 474 PHE B CG 6268 C CD1 . PHE B 446 ? 2.4322 2.2594 1.5083 -0.2201 0.7140 -0.1547 474 PHE B CD1 6269 C CD2 . PHE B 446 ? 2.4101 2.2551 1.5025 -0.2081 0.7253 -0.1661 474 PHE B CD2 6270 C CE1 . PHE B 446 ? 2.3666 2.2342 1.4601 -0.2343 0.7192 -0.1511 474 PHE B CE1 6271 C CE2 . PHE B 446 ? 2.3455 2.2315 1.4616 -0.2197 0.7246 -0.1607 474 PHE B CE2 6272 C CZ . PHE B 446 ? 2.3195 2.2168 1.4364 -0.2329 0.7217 -0.1533 474 PHE B CZ 6273 N N . ARG B 447 ? 2.4623 2.1807 1.4994 -0.1807 0.6813 -0.1543 475 ARG B N 6274 C CA . ARG B 447 ? 2.5315 2.2274 1.5653 -0.1638 0.6671 -0.1527 475 ARG B CA 6275 C C . ARG B 447 ? 2.4839 2.1237 1.4852 -0.1713 0.6630 -0.1498 475 ARG B C 6276 O O . ARG B 447 ? 2.4329 2.0596 1.4200 -0.1929 0.6635 -0.1435 475 ARG B O 6277 C CB . ARG B 447 ? 2.6337 2.3436 1.6825 -0.1377 0.6688 -0.1623 475 ARG B CB 6278 C CG . ARG B 447 ? 2.6491 2.4157 1.7292 -0.1323 0.6757 -0.1664 475 ARG B CG 6279 C CD . ARG B 447 ? 2.7322 2.5100 1.8251 -0.1062 0.6780 -0.1768 475 ARG B CD 6280 N NE . ARG B 447 ? 2.7936 2.5580 1.8886 -0.0871 0.6631 -0.1760 475 ARG B NE 6281 C CZ . ARG B 447 ? 2.8081 2.5272 1.8827 -0.0761 0.6569 -0.1777 475 ARG B CZ 6282 N NH1 . ARG B 447 ? 2.7425 2.4261 1.7938 -0.0824 0.6645 -0.1806 475 ARG B NH1 6283 N NH2 . ARG B 447 ? 2.9026 2.6118 1.9800 -0.0589 0.6431 -0.1766 475 ARG B NH2 6284 N N . ASP B 448 ? 2.5515 2.1576 1.5404 -0.1548 0.6587 -0.1540 476 ASP B N 6285 C CA . ASP B 448 ? 2.4427 1.9957 1.4008 -0.1613 0.6572 -0.1530 476 ASP B CA 6286 C C . ASP B 448 ? 2.4396 1.9766 1.3862 -0.1596 0.6706 -0.1627 476 ASP B C 6287 O O . ASP B 448 ? 2.3811 1.8738 1.3031 -0.1622 0.6703 -0.1639 476 ASP B O 6288 C CB . ASP B 448 ? 2.4493 1.9703 1.3982 -0.1460 0.6432 -0.1505 476 ASP B CB 6289 C CG . ASP B 448 ? 2.3722 1.8860 1.3166 -0.1562 0.6299 -0.1390 476 ASP B CG 6290 O OD1 . ASP B 448 ? 2.3507 1.9018 1.3168 -0.1556 0.6248 -0.1349 476 ASP B OD1 6291 O OD2 . ASP B 448 ? 2.3340 1.8056 1.2535 -0.1652 0.6247 -0.1341 476 ASP B OD2 6292 N N . SER B 449 ? 2.5071 2.0793 1.4708 -0.1551 0.6824 -0.1699 477 SER B N 6293 C CA . SER B 449 ? 2.5126 2.0726 1.4672 -0.1512 0.6951 -0.1799 477 SER B CA 6294 C C . SER B 449 ? 2.2525 1.7942 1.1902 -0.1737 0.7003 -0.1778 477 SER B C 6295 O O . SER B 449 ? 2.2133 1.7564 1.1531 -0.1914 0.6910 -0.1680 477 SER B O 6296 C CB . SER B 449 ? 2.6291 2.2348 1.6084 -0.1405 0.7054 -0.1875 477 SER B CB 6297 O OG . SER B 449 ? 2.5758 2.2178 1.5672 -0.1575 0.7118 -0.1835 477 SER B OG 6298 N N . LEU B 450 ? 2.2287 1.7645 1.1752 -0.1684 0.6987 -0.1835 478 LEU B N 6299 C CA . LEU B 450 ? 2.1637 1.6882 1.1194 -0.1822 0.6859 -0.1791 478 LEU B CA 6300 C C . LEU B 450 ? 2.1461 1.7097 1.1310 -0.1834 0.6863 -0.1810 478 LEU B C 6301 O O . LEU B 450 ? 2.1396 1.7099 1.1310 -0.1697 0.6925 -0.1896 478 LEU B O 6302 C CB . LEU B 450 ? 2.1778 1.6571 1.1164 -0.1752 0.6828 -0.1840 478 LEU B CB 6303 C CG . LEU B 450 ? 2.1609 1.6112 1.0977 -0.1894 0.6690 -0.1791 478 LEU B CG 6304 C CD1 . LEU B 450 ? 2.1675 1.5932 1.0866 -0.2022 0.6616 -0.1701 478 LEU B CD1 6305 C CD2 . LEU B 450 ? 2.1733 1.5903 1.1003 -0.1789 0.6692 -0.1869 478 LEU B CD2 6306 N N . GLU B 451 ? 2.0793 1.6678 1.0813 -0.1992 0.6793 -0.1730 479 GLU B N 6307 C CA . GLU B 451 ? 2.0308 1.6537 1.0590 -0.2020 0.6780 -0.1732 479 GLU B CA 6308 C C . GLU B 451 ? 1.9434 1.5520 0.9782 -0.2167 0.6631 -0.1676 479 GLU B C 6309 O O . GLU B 451 ? 1.8934 1.5060 0.9322 -0.2318 0.6547 -0.1592 479 GLU B O 6310 C CB . GLU B 451 ? 2.2344 1.9016 1.2784 -0.2064 0.6834 -0.1694 479 GLU B CB 6311 C CG . GLU B 451 ? 2.5494 2.2316 1.5872 -0.1927 0.6980 -0.1751 479 GLU B CG 6312 C CD . GLU B 451 ? 2.6790 2.4063 1.7339 -0.1985 0.7033 -0.1714 479 GLU B CD 6313 O OE1 . GLU B 451 ? 2.6594 2.3882 1.7126 -0.2126 0.6974 -0.1628 479 GLU B OE1 6314 O OE2 . GLU B 451 ? 2.7744 2.5361 1.8452 -0.1890 0.7132 -0.1771 479 GLU B OE2 6315 N N . ASP B 452 ? 2.0406 1.6342 1.0779 -0.2120 0.6598 -0.1727 480 ASP B N 6316 C CA . ASP B 452 ? 2.0195 1.5923 1.0598 -0.2239 0.6461 -0.1691 480 ASP B CA 6317 C C . ASP B 452 ? 1.9906 1.5890 1.0536 -0.2290 0.6407 -0.1678 480 ASP B C 6318 O O . ASP B 452 ? 1.9715 1.5551 1.0386 -0.2388 0.6290 -0.1653 480 ASP B O 6319 C CB . ASP B 452 ? 2.0322 1.5655 1.0579 -0.2168 0.6446 -0.1752 480 ASP B CB 6320 C CG . ASP B 452 ? 2.0616 1.5636 1.0622 -0.2129 0.6483 -0.1755 480 ASP B CG 6321 O OD1 . ASP B 452 ? 2.0654 1.5678 1.0590 -0.2214 0.6465 -0.1688 480 ASP B OD1 6322 O OD2 . ASP B 452 ? 2.0816 1.5584 1.0691 -0.2009 0.6527 -0.1824 480 ASP B OD2 6323 N N . CYS B 453 ? 2.0092 1.6448 1.0867 -0.2225 0.6488 -0.1697 481 CYS B N 6324 C CA . CYS B 453 ? 2.0332 1.6929 1.1307 -0.2263 0.6443 -0.1683 481 CYS B CA 6325 C C . CYS B 453 ? 2.0158 1.7127 1.1266 -0.2332 0.6469 -0.1621 481 CYS B C 6326 O O . CYS B 453 ? 2.1156 1.8294 1.2239 -0.2289 0.6567 -0.1624 481 CYS B O 6327 C CB . CYS B 453 ? 2.1348 1.8049 1.2387 -0.2115 0.6512 -0.1765 481 CYS B CB 6328 S SG . CYS B 453 ? 2.6394 2.2712 1.7357 -0.2068 0.6444 -0.1826 481 CYS B SG 6329 N N . VAL B 454 ? 2.1102 1.8196 1.2352 -0.2438 0.6380 -0.1569 482 VAL B N 6330 C CA . VAL B 454 ? 2.0544 1.7949 1.1921 -0.2531 0.6379 -0.1500 482 VAL B CA 6331 C C . VAL B 454 ? 2.2073 1.9813 1.3627 -0.2481 0.6427 -0.1513 482 VAL B C 6332 O O . VAL B 454 ? 2.2439 2.0132 1.4055 -0.2476 0.6368 -0.1527 482 VAL B O 6333 C CB . VAL B 454 ? 1.8646 1.5921 1.0040 -0.2696 0.6234 -0.1425 482 VAL B CB 6334 C CG1 . VAL B 454 ? 1.8462 1.6053 1.0035 -0.2781 0.6207 -0.1366 482 VAL B CG1 6335 C CG2 . VAL B 454 ? 1.8765 1.5871 1.0017 -0.2758 0.6218 -0.1388 482 VAL B CG2 6336 N N . THR B 455 ? 2.0584 1.8662 1.2216 -0.2442 0.6537 -0.1510 483 THR B N 6337 C CA . THR B 455 ? 2.0312 1.8742 1.2115 -0.2402 0.6594 -0.1514 483 THR B CA 6338 C C . THR B 455 ? 1.9134 1.7760 1.1067 -0.2546 0.6531 -0.1426 483 THR B C 6339 O O . THR B 455 ? 1.8699 1.7161 1.0596 -0.2671 0.6425 -0.1369 483 THR B O 6340 C CB . THR B 455 ? 2.1367 2.0062 1.3194 -0.2274 0.6753 -0.1568 483 THR B CB 6341 O OG1 . THR B 455 ? 2.1255 2.0156 1.3118 -0.2343 0.6796 -0.1521 483 THR B OG1 6342 C CG2 . THR B 455 ? 2.2012 2.0458 1.3675 -0.2145 0.6807 -0.1650 483 THR B CG2 6343 N N . ILE B 456 ? 1.9043 1.8018 1.1131 -0.2528 0.6593 -0.1414 484 ILE B N 6344 C CA . ILE B 456 ? 1.8917 1.8129 1.1135 -0.2651 0.6565 -0.1335 484 ILE B CA 6345 C C . ILE B 456 ? 1.9022 1.8635 1.1354 -0.2593 0.6708 -0.1346 484 ILE B C 6346 O O . ILE B 456 ? 1.9095 1.8854 1.1470 -0.2467 0.6799 -0.1405 484 ILE B O 6347 C CB . ILE B 456 ? 1.8710 1.7917 1.1019 -0.2714 0.6468 -0.1300 484 ILE B CB 6348 C CG1 . ILE B 456 ? 1.8589 1.7418 1.0805 -0.2783 0.6321 -0.1291 484 ILE B CG1 6349 C CG2 . ILE B 456 ? 1.8608 1.8084 1.1057 -0.2825 0.6457 -0.1224 484 ILE B CG2 6350 C CD1 . ILE B 456 ? 1.8384 1.7196 1.0684 -0.2851 0.6218 -0.1260 484 ILE B CD1 6351 N N . TRP B 457 ? 1.8222 1.8021 1.0611 -0.2682 0.6728 -0.1295 485 TRP B N 6352 C CA . TRP B 457 ? 1.9797 1.9992 1.2307 -0.2638 0.6865 -0.1308 485 TRP B CA 6353 C C . TRP B 457 ? 1.8985 1.9421 1.1639 -0.2779 0.6836 -0.1224 485 TRP B C 6354 O O . TRP B 457 ? 1.7962 1.8241 1.0596 -0.2908 0.6714 -0.1160 485 TRP B O 6355 C CB . TRP B 457 ? 2.1749 2.1950 1.4167 -0.2569 0.6960 -0.1358 485 TRP B CB 6356 C CG . TRP B 457 ? 2.3809 2.3988 1.6166 -0.2386 0.7063 -0.1461 485 TRP B CG 6357 C CD1 . TRP B 457 ? 2.4428 2.4627 1.6822 -0.2281 0.7086 -0.1509 485 TRP B CD1 6358 C CD2 . TRP B 457 ? 2.5151 2.5278 1.7396 -0.2283 0.7156 -0.1531 485 TRP B CD2 6359 N NE1 . TRP B 457 ? 2.5510 2.5678 1.7831 -0.2118 0.7183 -0.1606 485 TRP B NE1 6360 C CE2 . TRP B 457 ? 2.5927 2.6045 1.8154 -0.2113 0.7229 -0.1623 485 TRP B CE2 6361 C CE3 . TRP B 457 ? 2.5541 2.5622 1.7693 -0.2312 0.7183 -0.1528 485 TRP B CE3 6362 C CZ2 . TRP B 457 ? 2.6761 2.6818 1.8885 -0.1969 0.7327 -0.1715 485 TRP B CZ2 6363 C CZ3 . TRP B 457 ? 2.6368 2.6382 1.8406 -0.2170 0.7284 -0.1617 485 TRP B CZ3 6364 C CH2 . TRP B 457 ? 2.6906 2.6905 1.8932 -0.1998 0.7354 -0.1712 485 TRP B CH2 6365 N N . GLY B 458 ? 2.0279 2.1105 1.3087 -0.2750 0.6950 -0.1231 486 GLY B N 6366 C CA . GLY B 458 ? 2.0527 2.1624 1.3485 -0.2874 0.6947 -0.1161 486 GLY B CA 6367 C C . GLY B 458 ? 2.0327 2.1399 1.3361 -0.2965 0.6847 -0.1097 486 GLY B C 6368 O O . GLY B 458 ? 1.9758 2.0607 1.2731 -0.2931 0.6779 -0.1109 486 GLY B O 6369 N N . PRO B 459 ? 2.0717 2.2021 1.3888 -0.3080 0.6840 -0.1034 487 PRO B N 6370 C CA . PRO B 459 ? 2.0339 2.1589 1.3568 -0.3177 0.6735 -0.0972 487 PRO B CA 6371 C C . PRO B 459 ? 1.9995 2.0864 1.3101 -0.3255 0.6574 -0.0944 487 PRO B C 6372 O O . PRO B 459 ? 1.9382 2.0085 1.2471 -0.3265 0.6488 -0.0935 487 PRO B O 6373 C CB . PRO B 459 ? 2.0085 2.1657 1.3477 -0.3287 0.6768 -0.0915 487 PRO B CB 6374 C CG . PRO B 459 ? 2.1055 2.2929 1.4515 -0.3213 0.6921 -0.0962 487 PRO B CG 6375 C CD . PRO B 459 ? 2.1405 2.3052 1.4697 -0.3119 0.6935 -0.1023 487 PRO B CD 6376 N N . GLU B 460 ? 2.0979 2.1710 1.4000 -0.3310 0.6530 -0.0931 488 GLU B N 6377 C CA . GLU B 460 ? 2.0146 2.0509 1.3044 -0.3375 0.6381 -0.0912 488 GLU B CA 6378 C C . GLU B 460 ? 2.0964 2.1108 1.3701 -0.3326 0.6390 -0.0950 488 GLU B C 6379 O O . GLU B 460 ? 2.1694 2.1723 1.4345 -0.3206 0.6442 -0.1014 488 GLU B O 6380 C CB . GLU B 460 ? 1.9077 1.9461 1.2036 -0.3531 0.6279 -0.0838 488 GLU B CB 6381 C CG . GLU B 460 ? 1.8361 1.8903 1.1459 -0.3592 0.6250 -0.0799 488 GLU B CG 6382 C CD . GLU B 460 ? 1.7383 1.7696 1.0440 -0.3566 0.6162 -0.0816 488 GLU B CD 6383 O OE1 . GLU B 460 ? 1.7056 1.7492 1.0209 -0.3588 0.6157 -0.0794 488 GLU B OE1 6384 O OE2 . GLU B 460 ? 1.6916 1.6926 0.9845 -0.3526 0.6098 -0.0852 488 GLU B OE2 6385 N N . ARG B 462 ? 1.6881 1.6413 0.9252 -0.3154 0.6394 -0.1063 490 ARG B N 6386 C CA . ARG B 462 ? 1.8464 1.7883 1.0692 -0.3085 0.6462 -0.1103 490 ARG B CA 6387 C C . ARG B 462 ? 1.8484 1.7472 1.0535 -0.3066 0.6376 -0.1129 490 ARG B C 6388 O O . ARG B 462 ? 1.8504 1.7280 1.0443 -0.3134 0.6308 -0.1099 490 ARG B O 6389 C CB . ARG B 462 ? 2.0391 2.0022 1.2646 -0.2936 0.6621 -0.1176 490 ARG B CB 6390 C CG . ARG B 462 ? 2.1738 2.1723 1.4081 -0.2935 0.6739 -0.1173 490 ARG B CG 6391 C CD . ARG B 462 ? 2.3189 2.3093 1.5388 -0.2839 0.6831 -0.1234 490 ARG B CD 6392 N NE . ARG B 462 ? 2.4696 2.4885 1.6972 -0.2701 0.6987 -0.1311 490 ARG B NE 6393 C CZ . ARG B 462 ? 2.5457 2.6045 1.7884 -0.2707 0.7086 -0.1313 490 ARG B CZ 6394 N NH1 . ARG B 462 ? 2.5916 2.6754 1.8417 -0.2570 0.7225 -0.1394 490 ARG B NH1 6395 N NH2 . ARG B 462 ? 2.5328 2.6073 1.7841 -0.2850 0.7046 -0.1239 490 ARG B NH2 6396 N N . TRP B 463 ? 2.0571 1.9439 1.2602 -0.2972 0.6381 -0.1185 491 TRP B N 6397 C CA . TRP B 463 ? 1.9817 1.8292 1.1699 -0.2940 0.6312 -0.1222 491 TRP B CA 6398 C C . TRP B 463 ? 2.0047 1.8356 1.1757 -0.2867 0.6381 -0.1262 491 TRP B C 6399 O O . TRP B 463 ? 1.9852 1.7814 1.1414 -0.2879 0.6314 -0.1270 491 TRP B O 6400 C CB . TRP B 463 ? 1.7007 1.5243 0.8870 -0.3071 0.6148 -0.1172 491 TRP B CB 6401 C CG . TRP B 463 ? 1.6788 1.5144 0.8800 -0.3138 0.6071 -0.1140 491 TRP B CG 6402 C CD1 . TRP B 463 ? 1.6752 1.5444 0.8918 -0.3137 0.6128 -0.1120 491 TRP B CD1 6403 C CD2 . TRP B 463 ? 1.6597 1.4731 0.8615 -0.3215 0.5926 -0.1127 491 TRP B CD2 6404 N NE1 . TRP B 463 ? 1.6542 1.5218 0.8794 -0.3207 0.6027 -0.1093 491 TRP B NE1 6405 C CE2 . TRP B 463 ? 1.6448 1.4790 0.8614 -0.3253 0.5902 -0.1100 491 TRP B CE2 6406 C CE3 . TRP B 463 ? 1.6542 1.4324 0.8456 -0.3254 0.5816 -0.1139 491 TRP B CE3 6407 C CZ2 . TRP B 463 ? 1.6251 1.4454 0.8457 -0.3323 0.5772 -0.1089 491 TRP B CZ2 6408 C CZ3 . TRP B 463 ? 1.6335 1.3996 0.8303 -0.3326 0.5687 -0.1130 491 TRP B CZ3 6409 C CH2 . TRP B 463 ? 1.6193 1.4062 0.8303 -0.3357 0.5666 -0.1107 491 TRP B CH2 6410 N N . ASN B 464 ? 1.7938 1.6493 0.9666 -0.2786 0.6519 -0.1290 492 ASN B N 6411 C CA . ASN B 464 ? 1.9682 1.8101 1.1243 -0.2699 0.6601 -0.1337 492 ASN B CA 6412 C C . ASN B 464 ? 2.0134 1.8223 1.1560 -0.2592 0.6596 -0.1407 492 ASN B C 6413 O O . ASN B 464 ? 2.0734 1.8826 1.2228 -0.2539 0.6584 -0.1443 492 ASN B O 6414 C CB . ASN B 464 ? 2.1578 2.0361 1.3220 -0.2605 0.6759 -0.1378 492 ASN B CB 6415 C CG . ASN B 464 ? 2.3250 2.1903 1.4723 -0.2479 0.6861 -0.1448 492 ASN B CG 6416 O OD1 . ASN B 464 ? 2.3807 2.2478 1.5203 -0.2505 0.6896 -0.1430 492 ASN B OD1 6417 N ND2 . ASN B 464 ? 2.3828 2.2352 1.5241 -0.2335 0.6911 -0.1532 492 ASN B ND2 6418 N N . ASP B 465 ? 2.0380 1.8171 1.1605 -0.2563 0.6601 -0.1426 493 ASP B N 6419 C CA . ASP B 465 ? 2.1063 1.8520 1.2145 -0.2461 0.6600 -0.1494 493 ASP B CA 6420 C C . ASP B 465 ? 2.2539 2.0064 1.3556 -0.2286 0.6750 -0.1581 493 ASP B C 6421 O O . ASP B 465 ? 2.3297 2.0921 1.4253 -0.2258 0.6832 -0.1584 493 ASP B O 6422 C CB . ASP B 465 ? 2.1044 1.8087 1.1935 -0.2532 0.6507 -0.1463 493 ASP B CB 6423 C CG . ASP B 465 ? 2.0764 1.7812 1.1554 -0.2592 0.6522 -0.1410 493 ASP B CG 6424 O OD1 . ASP B 465 ? 2.0594 1.7973 1.1513 -0.2652 0.6547 -0.1366 493 ASP B OD1 6425 O OD2 . ASP B 465 ? 2.0639 1.7357 1.1219 -0.2581 0.6508 -0.1412 493 ASP B OD2 6426 N N . SER B 466 ? 2.0804 1.8276 1.1833 -0.2165 0.6783 -0.1657 494 SER B N 6427 C CA . SER B 466 ? 2.2014 1.9568 1.3010 -0.1981 0.6918 -0.1753 494 SER B CA 6428 C C . SER B 466 ? 2.2832 2.0057 1.3719 -0.1879 0.6900 -0.1823 494 SER B C 6429 O O . SER B 466 ? 2.1824 1.8871 1.2729 -0.1946 0.6793 -0.1803 494 SER B O 6430 C CB . SER B 466 ? 2.1796 1.9806 1.3009 -0.1923 0.7002 -0.1777 494 SER B CB 6431 O OG . SER B 466 ? 2.2539 2.0756 1.3748 -0.1804 0.7142 -0.1836 494 SER B OG 6432 N N . PRO B 467 ? 2.1468 1.8600 1.2243 -0.1711 0.7000 -0.1912 495 PRO B N 6433 C CA . PRO B 467 ? 2.2255 1.9043 1.2912 -0.1614 0.6979 -0.1979 495 PRO B CA 6434 C C . PRO B 467 ? 2.2430 1.9322 1.3239 -0.1583 0.6946 -0.2010 495 PRO B C 6435 O O . PRO B 467 ? 2.2401 1.9663 1.3394 -0.1572 0.6982 -0.2009 495 PRO B O 6436 C CB . PRO B 467 ? 2.3458 2.0220 1.4005 -0.1422 0.7109 -0.2073 495 PRO B CB 6437 C CG . PRO B 467 ? 2.3653 2.0583 1.4173 -0.1457 0.7168 -0.2035 495 PRO B CG 6438 C CD . PRO B 467 ? 2.2618 1.9912 1.3349 -0.1607 0.7129 -0.1954 495 PRO B CD 6439 N N . CYS B 468 ? 2.2780 1.9334 1.3505 -0.1570 0.6877 -0.2038 496 CYS B N 6440 C CA . CYS B 468 ? 2.2443 1.9047 1.3295 -0.1560 0.6824 -0.2059 496 CYS B CA 6441 C C . CYS B 468 ? 2.2818 1.9570 1.3725 -0.1369 0.6917 -0.2160 496 CYS B C 6442 O O . CYS B 468 ? 2.3056 2.0022 1.4114 -0.1350 0.6906 -0.2171 496 CYS B O 6443 C CB . CYS B 468 ? 2.1860 1.8060 1.2617 -0.1626 0.6711 -0.2051 496 CYS B CB 6444 S SG . CYS B 468 ? 2.5594 2.1842 1.6506 -0.1636 0.6629 -0.2068 496 CYS B SG 6445 N N . ASN B 469 ? 2.2081 1.8719 1.2865 -0.1222 0.7006 -0.2236 497 ASN B N 6446 C CA . ASN B 469 ? 2.1987 1.8785 1.2835 -0.1030 0.7095 -0.2338 497 ASN B CA 6447 C C . ASN B 469 ? 2.2316 1.9606 1.3350 -0.0995 0.7178 -0.2339 497 ASN B C 6448 O O . ASN B 469 ? 2.2917 2.0401 1.4038 -0.0845 0.7246 -0.2418 497 ASN B O 6449 C CB . ASN B 469 ? 2.2479 1.9038 1.3152 -0.0871 0.7171 -0.2421 497 ASN B CB 6450 C CG . ASN B 469 ? 2.3151 1.9834 1.3767 -0.0846 0.7261 -0.2414 497 ASN B CG 6451 O OD1 . ASN B 469 ? 2.2967 1.9721 1.3585 -0.0994 0.7234 -0.2325 497 ASN B OD1 6452 N ND2 . ASN B 469 ? 2.4163 2.0874 1.4734 -0.0650 0.7367 -0.2511 497 ASN B ND2 6453 N N . GLN B 470 ? 2.2175 1.9669 1.3273 -0.1130 0.7171 -0.2253 498 GLN B N 6454 C CA . GLN B 470 ? 2.1777 1.9744 1.3065 -0.1122 0.7242 -0.2241 498 GLN B CA 6455 C C . GLN B 470 ? 2.1847 1.9990 1.3292 -0.1149 0.7190 -0.2223 498 GLN B C 6456 O O . GLN B 470 ? 2.0507 1.8475 1.1947 -0.1267 0.7074 -0.2168 498 GLN B O 6457 C CB . GLN B 470 ? 2.0811 1.8914 1.2122 -0.1275 0.7233 -0.2148 498 GLN B CB 6458 C CG . GLN B 470 ? 2.0829 1.9417 1.2342 -0.1291 0.7300 -0.2124 498 GLN B CG 6459 C CD . GLN B 470 ? 2.0775 1.9494 1.2297 -0.1414 0.7313 -0.2051 498 GLN B CD 6460 O OE1 . GLN B 470 ? 2.0556 1.9626 1.2243 -0.1487 0.7332 -0.2001 498 GLN B OE1 6461 N NE2 . GLN B 470 ? 2.0994 1.9430 1.2336 -0.1435 0.7302 -0.2044 498 GLN B NE2 6462 N N . SER B 471 ? 2.0531 1.9021 1.2114 -0.1034 0.7277 -0.2274 499 SER B N 6463 C CA . SER B 471 ? 2.0561 1.9243 1.2285 -0.1036 0.7243 -0.2262 499 SER B CA 6464 C C . SER B 471 ? 1.9822 1.8833 1.1692 -0.1163 0.7242 -0.2171 499 SER B C 6465 O O . SER B 471 ? 2.0314 1.9654 1.2276 -0.1127 0.7343 -0.2178 499 SER B O 6466 C CB . SER B 471 ? 2.2112 2.0984 1.3902 -0.0836 0.7334 -0.2366 499 SER B CB 6467 O OG . SER B 471 ? 2.2849 2.1406 1.4512 -0.0717 0.7326 -0.2451 499 SER B OG 6468 N N . LEU B 472 ? 2.1926 2.0848 1.3821 -0.1308 0.7128 -0.2090 500 LEU B N 6469 C CA . LEU B 472 ? 1.9680 1.8851 1.1700 -0.1443 0.7105 -0.1996 500 LEU B CA 6470 C C . LEU B 472 ? 1.8782 1.7950 1.0872 -0.1486 0.7018 -0.1963 500 LEU B C 6471 O O . LEU B 472 ? 1.8516 1.7416 1.0537 -0.1460 0.6946 -0.1995 500 LEU B O 6472 C CB . LEU B 472 ? 1.8938 1.7952 1.0892 -0.1607 0.7038 -0.1916 500 LEU B CB 6473 C CG . LEU B 472 ? 1.9454 1.8439 1.1317 -0.1578 0.7114 -0.1939 500 LEU B CG 6474 C CD1 . LEU B 472 ? 1.9028 1.7731 1.0775 -0.1726 0.7021 -0.1872 500 LEU B CD1 6475 C CD2 . LEU B 472 ? 1.9845 1.9257 1.1842 -0.1559 0.7228 -0.1933 500 LEU B CD2 6476 N N . PRO B 473 ? 1.8743 1.8205 1.0971 -0.1549 0.7024 -0.1902 501 PRO B N 6477 C CA . PRO B 473 ? 1.8178 1.7613 1.0460 -0.1600 0.6935 -0.1864 501 PRO B CA 6478 C C . PRO B 473 ? 1.7640 1.6748 0.9850 -0.1744 0.6792 -0.1810 501 PRO B C 6479 O O . PRO B 473 ? 1.7677 1.6596 0.9800 -0.1812 0.6763 -0.1794 501 PRO B O 6480 C CB . PRO B 473 ? 1.8217 1.8028 1.0647 -0.1648 0.6983 -0.1803 501 PRO B CB 6481 C CG . PRO B 473 ? 1.8627 1.8612 1.1080 -0.1675 0.7066 -0.1788 501 PRO B CG 6482 C CD . PRO B 473 ? 1.9142 1.8986 1.1487 -0.1555 0.7126 -0.1876 501 PRO B CD 6483 N N . SER B 474 ? 1.8407 1.7452 1.0655 -0.1790 0.6701 -0.1784 502 SER B N 6484 C CA . SER B 474 ? 1.7754 1.6466 0.9936 -0.1896 0.6564 -0.1757 502 SER B CA 6485 C C . SER B 474 ? 1.7556 1.6330 0.9824 -0.2003 0.6479 -0.1689 502 SER B C 6486 O O . SER B 474 ? 1.7526 1.6538 0.9885 -0.1964 0.6516 -0.1680 502 SER B O 6487 C CB . SER B 474 ? 1.7778 1.6221 0.9880 -0.1807 0.6527 -0.1831 502 SER B CB 6488 O OG . SER B 474 ? 1.8343 1.6746 1.0370 -0.1684 0.6616 -0.1905 502 SER B OG 6489 N N . ILE B 475 ? 1.9033 1.7584 1.1268 -0.2137 0.6364 -0.1643 503 ILE B N 6490 C CA . ILE B 475 ? 1.8366 1.6892 1.0661 -0.2241 0.6259 -0.1590 503 ILE B CA 6491 C C . ILE B 475 ? 1.7827 1.6011 1.0056 -0.2255 0.6148 -0.1623 503 ILE B C 6492 O O . ILE B 475 ? 1.7901 1.5878 1.0041 -0.2199 0.6153 -0.1677 503 ILE B O 6493 C CB . ILE B 475 ? 1.8116 1.6690 1.0445 -0.2389 0.6215 -0.1510 503 ILE B CB 6494 C CG1 . ILE B 475 ? 1.8654 1.7512 1.1022 -0.2371 0.6334 -0.1490 503 ILE B CG1 6495 C CG2 . ILE B 475 ? 1.7455 1.6103 0.9870 -0.2475 0.6139 -0.1456 503 ILE B CG2 6496 C CD1 . ILE B 475 ? 1.8476 1.7381 1.0871 -0.2511 0.6297 -0.1416 503 ILE B CD1 6497 N N . CYS B 476 ? 1.7578 1.5702 0.9853 -0.2332 0.6047 -0.1592 504 CYS B N 6498 C CA . CYS B 476 ? 1.7056 1.4874 0.9283 -0.2345 0.5942 -0.1625 504 CYS B CA 6499 C C . CYS B 476 ? 1.6345 1.4082 0.8619 -0.2470 0.5820 -0.1578 504 CYS B C 6500 O O . CYS B 476 ? 1.6266 1.4200 0.8615 -0.2522 0.5821 -0.1526 504 CYS B O 6501 C CB . CYS B 476 ? 1.7235 1.5056 0.9463 -0.2213 0.5973 -0.1690 504 CYS B CB 6502 S SG . CYS B 476 ? 1.9019 1.6527 1.1137 -0.2134 0.5965 -0.1771 504 CYS B SG 6503 N N . LYS B 477 ? 1.6219 1.3656 0.8447 -0.2516 0.5717 -0.1600 505 LYS B N 6504 C CA . LYS B 477 ? 1.6024 1.3319 0.8284 -0.2627 0.5588 -0.1574 505 LYS B CA 6505 C C . LYS B 477 ? 1.6009 1.3397 0.8311 -0.2680 0.5597 -0.1570 505 LYS B C 6506 O O . LYS B 477 ? 1.5980 1.3139 0.8246 -0.2811 0.5534 -0.1594 505 LYS B O 6507 C CB . LYS B 477 ? 1.6016 1.2957 0.8201 -0.2644 0.5527 -0.1637 505 LYS B CB 6508 C CG . LYS B 477 ? 1.6102 1.3039 0.8266 -0.2496 0.5585 -0.1698 505 LYS B CG 6509 C CD . LYS B 477 ? 1.6119 1.2753 0.8208 -0.2484 0.5544 -0.1743 505 LYS B CD 6510 C CE . LYS B 477 ? 1.6235 1.2890 0.8297 -0.2326 0.5614 -0.1802 505 LYS B CE 6511 N NZ . LYS B 477 ? 1.6255 1.2896 0.8330 -0.2290 0.5632 -0.1850 505 LYS B NZ # 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 ARG 1 29 ? ? ? A . n A 1 2 SER 2 30 ? ? ? A . n A 1 3 GLY 3 31 ? ? ? A . n A 1 4 ALA 4 32 ? ? ? A . n A 1 5 PRO 5 33 ? ? ? A . n A 1 6 GLY 6 34 ? ? ? A . n A 1 7 ASP 7 35 ? ? ? A . n A 1 8 ALA 8 36 ? ? ? A . n A 1 9 ALA 9 37 ? ? ? A . n A 1 10 LEU 10 38 ? ? ? A . n A 1 11 PRO 11 39 ? ? ? A . n A 1 12 GLU 12 40 40 GLU GLU A . n A 1 13 PRO 13 41 41 PRO PRO A . n A 1 14 ASN 14 42 42 ASN ASN A . n A 1 15 ILE 15 43 43 ILE ILE A . n A 1 16 PHE 16 44 44 PHE PHE A . n A 1 17 LEU 17 45 45 LEU LEU A . n A 1 18 ILE 18 46 46 ILE ILE A . n A 1 19 PHE 19 47 47 PHE PHE A . n A 1 20 SER 20 48 48 SER SER A . n A 1 21 HIS 21 49 49 HIS HIS A . n A 1 22 GLY 22 50 50 GLY GLY A . n A 1 23 LEU 23 51 51 LEU LEU A . n A 1 24 GLN 24 52 52 GLN GLN A . n A 1 25 GLY 25 53 53 GLY GLY A . n A 1 26 CYS 26 54 54 CYS CYS A . n A 1 27 LEU 27 55 55 LEU LEU A . n A 1 28 GLU 28 56 56 GLU GLU A . n A 1 29 ALA 29 57 57 ALA ALA A . n A 1 30 GLN 30 58 58 GLN GLN A . n A 1 31 GLY 31 59 59 GLY GLY A . n A 1 32 GLY 32 60 60 GLY GLY A . n A 1 33 GLN 33 61 61 GLN GLN A . n A 1 34 VAL 34 62 62 VAL VAL A . n A 1 35 ARG 35 63 63 ARG ARG A . n A 1 36 VAL 36 64 64 VAL VAL A . n A 1 37 THR 37 65 65 THR THR A . n A 1 38 PRO 38 66 66 PRO PRO A . n A 1 39 ALA 39 67 67 ALA ALA A . n A 1 40 CYS 40 68 68 CYS CYS A . n A 1 41 ASN 41 69 69 ASN ASN A . n A 1 42 THR 42 70 70 THR THR A . n A 1 43 SER 43 71 71 SER SER A . n A 1 44 LEU 44 72 72 LEU LEU A . n A 1 45 PRO 45 73 73 PRO PRO A . n A 1 46 ALA 46 74 74 ALA ALA A . n A 1 47 GLN 47 75 75 GLN GLN A . n A 1 48 ARG 48 76 76 ARG ARG A . n A 1 49 TRP 49 77 77 TRP TRP A . n A 1 50 LYS 50 78 78 LYS LYS A . n A 1 51 TRP 51 79 79 TRP TRP A . n A 1 52 VAL 52 80 80 VAL VAL A . n A 1 53 SER 53 81 81 SER SER A . n A 1 54 ARG 54 82 82 ARG ARG A . n A 1 55 ASN 55 83 83 ASN ASN A . n A 1 56 ARG 56 84 84 ARG ARG A . n A 1 57 LEU 57 85 85 LEU LEU A . n A 1 58 PHE 58 86 86 PHE PHE A . n A 1 59 ASN 59 87 87 ASN ASN A . n A 1 60 LEU 60 88 88 LEU LEU A . n A 1 61 GLY 61 89 89 GLY GLY A . n A 1 62 THR 62 90 90 THR THR A . n A 1 63 MET 63 91 91 MET MET A . n A 1 64 GLN 64 92 92 GLN GLN A . n A 1 65 CYS 65 93 93 CYS CYS A . n A 1 66 LEU 66 94 94 LEU LEU A . n A 1 67 GLY 67 95 95 GLY GLY A . n A 1 68 THR 68 96 96 THR THR A . n A 1 69 GLY 69 97 97 GLY GLY A . n A 1 70 TRP 70 98 98 TRP TRP A . n A 1 71 PRO 71 99 99 PRO PRO A . n A 1 72 GLY 72 100 100 GLY GLY A . n A 1 73 THR 73 101 101 THR THR A . n A 1 74 ASN 74 102 102 ASN ASN A . n A 1 75 THR 75 103 103 THR THR A . n A 1 76 THR 76 104 104 THR THR A . n A 1 77 ALA 77 105 105 ALA ALA A . n A 1 78 SER 78 106 106 SER SER A . n A 1 79 LEU 79 107 107 LEU LEU A . n A 1 80 GLY 80 108 108 GLY GLY A . n A 1 81 MET 81 109 109 MET MET A . n A 1 82 TYR 82 110 110 TYR TYR A . n A 1 83 GLU 83 111 111 GLU GLU A . n A 1 84 CYS 84 112 112 CYS CYS A . n A 1 85 ASP 85 113 113 ASP ASP A . n A 1 86 ARG 86 114 114 ARG ARG A . n A 1 87 GLU 87 115 115 GLU GLU A . n A 1 88 ALA 88 116 116 ALA ALA A . n A 1 89 LEU 89 117 117 LEU LEU A . n A 1 90 ASN 90 118 118 ASN ASN A . n A 1 91 LEU 91 119 119 LEU LEU A . n A 1 92 ARG 92 120 120 ARG ARG A . n A 1 93 TRP 93 121 121 TRP TRP A . n A 1 94 HIS 94 122 122 HIS HIS A . n A 1 95 CYS 95 123 123 CYS CYS A . n A 1 96 ARG 96 124 124 ARG ARG A . n A 1 97 THR 97 125 125 THR THR A . n A 1 98 LEU 98 126 126 LEU LEU A . n A 1 99 GLY 99 127 127 GLY GLY A . n A 1 100 ASP 100 128 128 ASP ASP A . n A 1 101 GLN 101 129 129 GLN GLN A . n A 1 102 LEU 102 130 130 LEU LEU A . n A 1 103 SER 103 131 131 SER SER A . n A 1 104 LEU 104 132 132 LEU LEU A . n A 1 105 LEU 105 133 133 LEU LEU A . n A 1 106 LEU 106 134 134 LEU LEU A . n A 1 107 GLY 107 135 135 GLY GLY A . n A 1 108 ALA 108 136 136 ALA ALA A . n A 1 109 ARG 109 137 137 ARG ARG A . n A 1 110 THR 110 138 138 THR THR A . n A 1 111 SER 111 139 139 SER SER A . n A 1 112 ASN 112 140 140 ASN ASN A . n A 1 113 ILE 113 141 141 ILE ILE A . n A 1 114 SER 114 142 142 SER SER A . n A 1 115 LYS 115 143 143 LYS LYS A . n A 1 116 PRO 116 144 144 PRO PRO A . n A 1 117 GLY 117 145 145 GLY GLY A . n A 1 118 THR 118 146 146 THR THR A . n A 1 119 LEU 119 147 ? ? ? A . n A 1 120 GLU 120 148 ? ? ? A . n A 1 121 ARG 121 149 ? ? ? A . n A 1 122 GLY 122 150 ? ? ? A . n A 1 123 ASP 123 151 ? ? ? A . n A 1 124 GLN 124 152 ? ? ? A . n A 1 125 THR 125 153 ? ? ? A . n A 1 126 ARG 126 154 ? ? ? A . n A 1 127 SER 127 155 ? ? ? A . n A 1 128 GLY 128 156 156 GLY GLY A . n A 1 129 GLN 129 157 157 GLN GLN A . n A 1 130 TRP 130 158 158 TRP TRP A . n A 1 131 ARG 131 159 159 ARG ARG A . n A 1 132 ILE 132 160 160 ILE ILE A . n A 1 133 TYR 133 161 161 TYR TYR A . n A 1 134 GLY 134 162 162 GLY GLY A . n A 1 135 SER 135 163 163 SER SER A . n A 1 136 GLU 136 164 164 GLU GLU A . n A 1 137 GLU 137 165 165 GLU GLU A . n A 1 138 ASP 138 166 166 ASP ASP A . n A 1 139 LEU 139 167 167 LEU LEU A . n A 1 140 CYS 140 168 168 CYS CYS A . n A 1 141 ALA 141 169 169 ALA ALA A . n A 1 142 LEU 142 170 170 LEU LEU A . n A 1 143 PRO 143 171 171 PRO PRO A . n A 1 144 TYR 144 172 172 TYR TYR A . n A 1 145 HIS 145 173 173 HIS HIS A . n A 1 146 GLU 146 174 174 GLU GLU A . n A 1 147 VAL 147 175 175 VAL VAL A . n A 1 148 TYR 148 176 176 TYR TYR A . n A 1 149 THR 149 177 177 THR THR A . n A 1 150 ILE 150 178 178 ILE ILE A . n A 1 151 GLN 151 179 179 GLN GLN A . n A 1 152 GLY 152 180 180 GLY GLY A . n A 1 153 ASN 153 181 181 ASN ASN A . n A 1 154 SER 154 182 182 SER SER A . n A 1 155 HIS 155 183 183 HIS HIS A . n A 1 156 GLY 156 184 184 GLY GLY A . n A 1 157 LYS 157 185 185 LYS LYS A . n A 1 158 PRO 158 186 186 PRO PRO A . n A 1 159 CYS 159 187 187 CYS CYS A . n A 1 160 THR 160 188 188 THR THR A . n A 1 161 ILE 161 189 189 ILE ILE A . n A 1 162 PRO 162 190 190 PRO PRO A . n A 1 163 PHE 163 191 191 PHE PHE A . n A 1 164 LYS 164 192 192 LYS LYS A . n A 1 165 TYR 165 193 193 TYR TYR A . n A 1 166 ASP 166 194 194 ASP ASP A . n A 1 167 ASN 167 195 195 ASN ASN A . n A 1 168 GLN 168 196 196 GLN GLN A . n A 1 169 TRP 169 197 197 TRP TRP A . n A 1 170 PHE 170 198 198 PHE PHE A . n A 1 171 HIS 171 199 199 HIS HIS A . n A 1 172 GLY 172 200 200 GLY GLY A . n A 1 173 CYS 173 201 201 CYS CYS A . n A 1 174 THR 174 202 202 THR THR A . n A 1 175 SER 175 203 203 SER SER A . n A 1 176 THR 176 204 204 THR THR A . n A 1 177 GLY 177 205 205 GLY GLY A . n A 1 178 ARG 178 206 206 ARG ARG A . n A 1 179 GLU 179 207 207 GLU GLU A . n A 1 180 ASP 180 208 208 ASP ASP A . n A 1 181 GLY 181 209 209 GLY GLY A . n A 1 182 HIS 182 210 210 HIS HIS A . n A 1 183 LEU 183 211 211 LEU LEU A . n A 1 184 TRP 184 212 212 TRP TRP A . n A 1 185 CYS 185 213 213 CYS CYS A . n A 1 186 ALA 186 214 214 ALA ALA A . n A 1 187 THR 187 215 215 THR THR A . n A 1 188 THR 188 216 216 THR THR A . n A 1 189 GLN 189 217 217 GLN GLN A . n A 1 190 ASP 190 218 218 ASP ASP A . n A 1 191 TYR 191 219 219 TYR TYR A . n A 1 192 GLY 192 220 220 GLY GLY A . n A 1 193 LYS 193 221 221 LYS LYS A . n A 1 194 ASP 194 222 222 ASP ASP A . n A 1 195 GLU 195 223 223 GLU GLU A . n A 1 196 ARG 196 224 224 ARG ARG A . n A 1 197 TRP 197 225 225 TRP TRP A . n A 1 198 GLY 198 226 226 GLY GLY A . n A 1 199 PHE 199 227 227 PHE PHE A . n A 1 200 CYS 200 228 228 CYS CYS A . n A 1 201 PRO 201 229 229 PRO PRO A . n A 1 202 ILE 202 230 230 ILE ILE A . n A 1 203 LYS 203 231 231 LYS LYS A . n A 1 204 SER 204 232 232 SER SER A . n A 1 205 ASN 205 233 233 ASN ASN A . n A 1 206 ASP 206 234 234 ASP ASP A . n A 1 207 CYS 207 235 235 CYS CYS A . n A 1 208 GLU 208 236 236 GLU GLU A . n A 1 209 THR 209 237 237 THR THR A . n A 1 210 PHE 210 238 238 PHE PHE A . n A 1 211 TRP 211 239 239 TRP TRP A . n A 1 212 ASP 212 240 240 ASP ASP A . n A 1 213 LYS 213 241 241 LYS LYS A . n A 1 214 ASP 214 242 242 ASP ASP A . n A 1 215 GLN 215 243 243 GLN GLN A . n A 1 216 LEU 216 244 244 LEU LEU A . n A 1 217 THR 217 245 245 THR THR A . n A 1 218 ASP 218 246 246 ASP ASP A . n A 1 219 SER 219 247 247 SER SER A . n A 1 220 CYS 220 248 248 CYS CYS A . n A 1 221 TYR 221 249 249 TYR TYR A . n A 1 222 GLN 222 250 250 GLN GLN A . n A 1 223 PHE 223 251 251 PHE PHE A . n A 1 224 ASN 224 252 252 ASN ASN A . n A 1 225 PHE 225 253 253 PHE PHE A . n A 1 226 GLN 226 254 254 GLN GLN A . n A 1 227 SER 227 255 255 SER SER A . n A 1 228 THR 228 256 256 THR THR A . n A 1 229 LEU 229 257 257 LEU LEU A . n A 1 230 SER 230 258 258 SER SER A . n A 1 231 TRP 231 259 259 TRP TRP A . n A 1 232 ARG 232 260 260 ARG ARG A . n A 1 233 GLU 233 261 261 GLU GLU A . n A 1 234 ALA 234 262 262 ALA ALA A . n A 1 235 TRP 235 263 263 TRP TRP A . n A 1 236 ALA 236 264 264 ALA ALA A . n A 1 237 SER 237 265 265 SER SER A . n A 1 238 CYS 238 266 266 CYS CYS A . n A 1 239 GLU 239 267 267 GLU GLU A . n A 1 240 GLN 240 268 268 GLN GLN A . n A 1 241 GLN 241 269 269 GLN GLN A . n A 1 242 GLY 242 270 270 GLY GLY A . n A 1 243 ALA 243 271 271 ALA ALA A . n A 1 244 ASP 244 272 272 ASP ASP A . n A 1 245 LEU 245 273 273 LEU LEU A . n A 1 246 LEU 246 274 274 LEU LEU A . n A 1 247 SER 247 275 275 SER SER A . n A 1 248 ILE 248 276 276 ILE ILE A . n A 1 249 THR 249 277 277 THR THR A . n A 1 250 GLU 250 278 278 GLU GLU A . n A 1 251 ILE 251 279 279 ILE ILE A . n A 1 252 HIS 252 280 280 HIS HIS A . n A 1 253 GLU 253 281 281 GLU GLU A . n A 1 254 GLN 254 282 282 GLN GLN A . n A 1 255 THR 255 283 283 THR THR A . n A 1 256 TYR 256 284 284 TYR TYR A . n A 1 257 ILE 257 285 285 ILE ILE A . n A 1 258 ASN 258 286 286 ASN ASN A . n A 1 259 GLY 259 287 287 GLY GLY A . n A 1 260 LEU 260 288 288 LEU LEU A . n A 1 261 LEU 261 289 289 LEU LEU A . n A 1 262 THR 262 290 290 THR THR A . n A 1 263 GLY 263 291 291 GLY GLY A . n A 1 264 TYR 264 292 292 TYR TYR A . n A 1 265 SER 265 293 293 SER SER A . n A 1 266 SER 266 294 294 SER SER A . n A 1 267 THR 267 295 295 THR THR A . n A 1 268 LEU 268 296 296 LEU LEU A . n A 1 269 TRP 269 297 297 TRP TRP A . n A 1 270 ILE 270 298 298 ILE ILE A . n A 1 271 GLY 271 299 299 GLY GLY A . n A 1 272 LEU 272 300 300 LEU LEU A . n A 1 273 ASN 273 301 301 ASN ASN A . n A 1 274 ASP 274 302 302 ASP ASP A . n A 1 275 LEU 275 303 303 LEU LEU A . n A 1 276 ASP 276 304 304 ASP ASP A . n A 1 277 THR 277 305 305 THR THR A . n A 1 278 SER 278 306 306 SER SER A . n A 1 279 GLY 279 307 307 GLY GLY A . n A 1 280 GLY 280 308 308 GLY GLY A . n A 1 281 TRP 281 309 309 TRP TRP A . n A 1 282 GLN 282 310 310 GLN GLN A . n A 1 283 TRP 283 311 311 TRP TRP A . n A 1 284 SER 284 312 312 SER SER A . n A 1 285 ASP 285 313 313 ASP ASP A . n A 1 286 ASN 286 314 314 ASN ASN A . n A 1 287 SER 287 315 315 SER SER A . n A 1 288 PRO 288 316 316 PRO PRO A . n A 1 289 LEU 289 317 317 LEU LEU A . n A 1 290 LYS 290 318 318 LYS LYS A . n A 1 291 TYR 291 319 319 TYR TYR A . n A 1 292 LEU 292 320 320 LEU LEU A . n A 1 293 ASN 293 321 321 ASN ASN A . n A 1 294 TRP 294 322 322 TRP TRP A . n A 1 295 GLU 295 323 323 GLU GLU A . n A 1 296 SER 296 324 324 SER SER A . n A 1 297 ASP 297 325 325 ASP ASP A . n A 1 298 GLN 298 326 326 GLN GLN A . n A 1 299 PRO 299 327 327 PRO PRO A . n A 1 300 ASP 300 328 328 ASP ASP A . n A 1 301 ASN 301 329 329 ASN ASN A . n A 1 302 PRO 302 330 330 PRO PRO A . n A 1 303 SER 303 331 331 SER SER A . n A 1 304 GLU 304 332 332 GLU GLU A . n A 1 305 GLU 305 333 333 GLU GLU A . n A 1 306 ASN 306 334 334 ASN ASN A . n A 1 307 CYS 307 335 335 CYS CYS A . n A 1 308 GLY 308 336 336 GLY GLY A . n A 1 309 VAL 309 337 337 VAL VAL A . n A 1 310 ILE 310 338 338 ILE ILE A . n A 1 311 ARG 311 339 339 ARG ARG A . n A 1 312 THR 312 340 340 THR THR A . n A 1 313 GLU 313 341 341 GLU GLU A . n A 1 314 SER 314 342 342 SER SER A . n A 1 315 SER 315 343 343 SER SER A . n A 1 316 GLY 316 344 344 GLY GLY A . n A 1 317 GLY 317 345 345 GLY GLY A . n A 1 318 TRP 318 346 346 TRP TRP A . n A 1 319 GLN 319 347 347 GLN GLN A . n A 1 320 ASN 320 348 348 ASN ASN A . n A 1 321 ARG 321 349 349 ARG ARG A . n A 1 322 ASP 322 350 350 ASP ASP A . n A 1 323 CYS 323 351 351 CYS CYS A . n A 1 324 SER 324 352 352 SER SER A . n A 1 325 ILE 325 353 353 ILE ILE A . n A 1 326 ALA 326 354 354 ALA ALA A . n A 1 327 LEU 327 355 355 LEU LEU A . n A 1 328 PRO 328 356 356 PRO PRO A . n A 1 329 TYR 329 357 357 TYR TYR A . n A 1 330 VAL 330 358 358 VAL VAL A . n A 1 331 CYS 331 359 359 CYS CYS A . n A 1 332 LYS 332 360 360 LYS LYS A . n A 1 333 LYS 333 361 361 LYS LYS A . n A 1 334 LYS 334 362 362 LYS LYS A . n A 1 335 PRO 335 363 363 PRO PRO A . n A 1 336 ASN 336 364 364 ASN ASN A . n A 1 337 ALA 337 365 365 ALA ALA A . n A 1 338 THR 338 366 ? ? ? A . n A 1 339 ALA 339 367 ? ? ? A . n A 1 340 GLU 340 368 ? ? ? A . n A 1 341 PRO 341 369 ? ? ? A . n A 1 342 THR 342 370 ? ? ? A . n A 1 343 PRO 343 371 ? ? ? A . n A 1 344 PRO 344 372 ? ? ? A . n A 1 345 ASP 345 373 ? ? ? A . n A 1 346 ARG 346 374 ? ? ? A . n A 1 347 TRP 347 375 ? ? ? A . n A 1 348 ALA 348 376 ? ? ? A . n A 1 349 ASN 349 377 ? ? ? A . n A 1 350 VAL 350 378 ? ? ? A . n A 1 351 LYS 351 379 ? ? ? A . n A 1 352 VAL 352 380 ? ? ? A . n A 1 353 GLU 353 381 ? ? ? A . n A 1 354 CYS 354 382 ? ? ? A . n A 1 355 GLU 355 383 ? ? ? A . n A 1 356 PRO 356 384 ? ? ? A . n A 1 357 SER 357 385 ? ? ? A . n A 1 358 TRP 358 386 ? ? ? A . n A 1 359 GLN 359 387 ? ? ? A . n A 1 360 PRO 360 388 ? ? ? A . n A 1 361 PHE 361 389 ? ? ? A . n A 1 362 GLN 362 390 ? ? ? A . n A 1 363 GLY 363 391 ? ? ? A . n A 1 364 HIS 364 392 ? ? ? A . n A 1 365 CYS 365 393 ? ? ? A . n A 1 366 TYR 366 394 ? ? ? A . n A 1 367 ARG 367 395 395 ARG ARG A . n A 1 368 LEU 368 396 396 LEU LEU A . n A 1 369 GLN 369 397 397 GLN GLN A . n A 1 370 ALA 370 398 398 ALA ALA A . n A 1 371 GLU 371 399 399 GLU GLU A . n A 1 372 LYS 372 400 400 LYS LYS A . n A 1 373 ARG 373 401 401 ARG ARG A . n A 1 374 SER 374 402 402 SER SER A . n A 1 375 TRP 375 403 403 TRP TRP A . n A 1 376 GLN 376 404 404 GLN GLN A . n A 1 377 GLU 377 405 405 GLU GLU A . n A 1 378 SER 378 406 406 SER SER A . n A 1 379 LYS 379 407 407 LYS LYS A . n A 1 380 LYS 380 408 408 LYS LYS A . n A 1 381 ALA 381 409 409 ALA ALA A . n A 1 382 CYS 382 410 410 CYS CYS A . n A 1 383 LEU 383 411 411 LEU LEU A . n A 1 384 ARG 384 412 412 ARG ARG A . n A 1 385 GLY 385 413 413 GLY GLY A . n A 1 386 GLY 386 414 414 GLY GLY A . n A 1 387 GLY 387 415 415 GLY GLY A . n A 1 388 ASP 388 416 416 ASP ASP A . n A 1 389 LEU 389 417 417 LEU LEU A . n A 1 390 VAL 390 418 418 VAL VAL A . n A 1 391 SER 391 419 419 SER SER A . n A 1 392 ILE 392 420 420 ILE ILE A . n A 1 393 HIS 393 421 421 HIS HIS A . n A 1 394 SER 394 422 422 SER SER A . n A 1 395 MET 395 423 423 MET MET A . n A 1 396 ALA 396 424 424 ALA ALA A . n A 1 397 GLU 397 425 425 GLU GLU A . n A 1 398 LEU 398 426 426 LEU LEU A . n A 1 399 GLU 399 427 427 GLU GLU A . n A 1 400 PHE 400 428 428 PHE PHE A . n A 1 401 ILE 401 429 429 ILE ILE A . n A 1 402 THR 402 430 430 THR THR A . n A 1 403 LYS 403 431 431 LYS LYS A . n A 1 404 GLN 404 432 432 GLN GLN A . n A 1 405 ILE 405 433 433 ILE ILE A . n A 1 406 LYS 406 434 434 LYS LYS A . n A 1 407 GLN 407 435 435 GLN GLN A . n A 1 408 GLU 408 436 436 GLU GLU A . n A 1 409 VAL 409 437 ? ? ? A . n A 1 410 GLU 410 438 438 GLU GLU A . n A 1 411 GLU 411 439 439 GLU GLU A . n A 1 412 LEU 412 440 440 LEU LEU A . n A 1 413 TRP 413 441 441 TRP TRP A . n A 1 414 ILE 414 442 442 ILE ILE A . n A 1 415 GLY 415 443 443 GLY GLY A . n A 1 416 LEU 416 444 444 LEU LEU A . n A 1 417 ASN 417 445 445 ASN ASN A . n A 1 418 ASP 418 446 446 ASP ASP A . n A 1 419 LEU 419 447 447 LEU LEU A . n A 1 420 LYS 420 448 448 LYS LYS A . n A 1 421 LEU 421 449 449 LEU LEU A . n A 1 422 GLN 422 450 450 GLN GLN A . n A 1 423 MET 423 451 451 MET MET A . n A 1 424 ASN 424 452 452 ASN ASN A . n A 1 425 PHE 425 453 453 PHE PHE A . n A 1 426 GLU 426 454 454 GLU GLU A . n A 1 427 TRP 427 455 455 TRP TRP A . n A 1 428 SER 428 456 456 SER SER A . n A 1 429 ASP 429 457 457 ASP ASP A . n A 1 430 GLY 430 458 458 GLY GLY A . n A 1 431 SER 431 459 459 SER SER A . n A 1 432 LEU 432 460 460 LEU LEU A . n A 1 433 VAL 433 461 461 VAL VAL A . n A 1 434 SER 434 462 462 SER SER A . n A 1 435 PHE 435 463 463 PHE PHE A . n A 1 436 THR 436 464 464 THR THR A . n A 1 437 HIS 437 465 465 HIS HIS A . n A 1 438 TRP 438 466 466 TRP TRP A . n A 1 439 HIS 439 467 467 HIS HIS A . n A 1 440 PRO 440 468 468 PRO PRO A . n A 1 441 PHE 441 469 469 PHE PHE A . n A 1 442 GLU 442 470 470 GLU GLU A . n A 1 443 PRO 443 471 471 PRO PRO A . n A 1 444 ASN 444 472 472 ASN ASN A . n A 1 445 ASN 445 473 473 ASN ASN A . n A 1 446 PHE 446 474 474 PHE PHE A . n A 1 447 ARG 447 475 475 ARG ARG A . n A 1 448 ASP 448 476 476 ASP ASP A . n A 1 449 SER 449 477 477 SER SER A . n A 1 450 LEU 450 478 478 LEU LEU A . n A 1 451 GLU 451 479 479 GLU GLU A . n A 1 452 ASP 452 480 480 ASP ASP A . n A 1 453 CYS 453 481 481 CYS CYS A . n A 1 454 VAL 454 482 482 VAL VAL A . n A 1 455 THR 455 483 483 THR THR A . n A 1 456 ILE 456 484 484 ILE ILE A . n A 1 457 TRP 457 485 485 TRP TRP A . n A 1 458 GLY 458 486 486 GLY GLY A . n A 1 459 PRO 459 487 487 PRO PRO A . n A 1 460 GLU 460 488 488 GLU GLU A . n A 1 461 GLY 461 489 489 GLY GLY A . n A 1 462 ARG 462 490 490 ARG ARG A . n A 1 463 TRP 463 491 491 TRP TRP A . n A 1 464 ASN 464 492 492 ASN ASN A . n A 1 465 ASP 465 493 493 ASP ASP A . n A 1 466 SER 466 494 494 SER SER A . n A 1 467 PRO 467 495 495 PRO PRO A . n A 1 468 CYS 468 496 496 CYS CYS A . n A 1 469 ASN 469 497 497 ASN ASN A . n A 1 470 GLN 470 498 498 GLN GLN A . n A 1 471 SER 471 499 499 SER SER A . n A 1 472 LEU 472 500 500 LEU LEU A . n A 1 473 PRO 473 501 501 PRO PRO A . n A 1 474 SER 474 502 502 SER SER A . n A 1 475 ILE 475 503 503 ILE ILE A . n A 1 476 CYS 476 504 504 CYS CYS A . n A 1 477 LYS 477 505 505 LYS LYS A . n A 1 478 LYS 478 506 506 LYS LYS A . n A 1 479 ALA 479 507 ? ? ? A . n A 1 480 GLY 480 508 ? ? ? A . n A 1 481 GLN 481 509 ? ? ? A . n A 1 482 LEU 482 510 ? ? ? A . n A 1 483 THR 483 511 ? ? ? A . n A 1 484 ARG 484 512 ? ? ? A . n A 1 485 THR 485 513 ? ? ? A . n A 1 486 GLY 486 514 ? ? ? A . n A 1 487 HIS 487 515 ? ? ? A . n A 1 488 HIS 488 516 ? ? ? A . n A 1 489 HIS 489 517 ? ? ? A . n A 1 490 HIS 490 518 ? ? ? A . n A 1 491 HIS 491 519 ? ? ? A . n A 1 492 HIS 492 520 ? ? ? A . n B 1 1 ARG 1 29 ? ? ? B . n B 1 2 SER 2 30 ? ? ? B . n B 1 3 GLY 3 31 ? ? ? B . n B 1 4 ALA 4 32 ? ? ? B . n B 1 5 PRO 5 33 ? ? ? B . n B 1 6 GLY 6 34 ? ? ? B . n B 1 7 ASP 7 35 ? ? ? B . n B 1 8 ALA 8 36 ? ? ? B . n B 1 9 ALA 9 37 ? ? ? B . n B 1 10 LEU 10 38 ? ? ? B . n B 1 11 PRO 11 39 ? ? ? B . n B 1 12 GLU 12 40 40 GLU GLU B . n B 1 13 PRO 13 41 41 PRO PRO B . n B 1 14 ASN 14 42 42 ASN ASN B . n B 1 15 ILE 15 43 43 ILE ILE B . n B 1 16 PHE 16 44 44 PHE PHE B . n B 1 17 LEU 17 45 45 LEU LEU B . n B 1 18 ILE 18 46 46 ILE ILE B . n B 1 19 PHE 19 47 47 PHE PHE B . n B 1 20 SER 20 48 48 SER SER B . n B 1 21 HIS 21 49 49 HIS HIS B . n B 1 22 GLY 22 50 50 GLY GLY B . n B 1 23 LEU 23 51 51 LEU LEU B . n B 1 24 GLN 24 52 52 GLN GLN B . n B 1 25 GLY 25 53 53 GLY GLY B . n B 1 26 CYS 26 54 54 CYS CYS B . n B 1 27 LEU 27 55 55 LEU LEU B . n B 1 28 GLU 28 56 56 GLU GLU B . n B 1 29 ALA 29 57 57 ALA ALA B . n B 1 30 GLN 30 58 58 GLN GLN B . n B 1 31 GLY 31 59 59 GLY GLY B . n B 1 32 GLY 32 60 60 GLY GLY B . n B 1 33 GLN 33 61 61 GLN GLN B . n B 1 34 VAL 34 62 62 VAL VAL B . n B 1 35 ARG 35 63 63 ARG ARG B . n B 1 36 VAL 36 64 64 VAL VAL B . n B 1 37 THR 37 65 65 THR THR B . n B 1 38 PRO 38 66 66 PRO PRO B . n B 1 39 ALA 39 67 67 ALA ALA B . n B 1 40 CYS 40 68 68 CYS CYS B . n B 1 41 ASN 41 69 69 ASN ASN B . n B 1 42 THR 42 70 70 THR THR B . n B 1 43 SER 43 71 71 SER SER B . n B 1 44 LEU 44 72 72 LEU LEU B . n B 1 45 PRO 45 73 73 PRO PRO B . n B 1 46 ALA 46 74 74 ALA ALA B . n B 1 47 GLN 47 75 75 GLN GLN B . n B 1 48 ARG 48 76 76 ARG ARG B . n B 1 49 TRP 49 77 77 TRP TRP B . n B 1 50 LYS 50 78 78 LYS LYS B . n B 1 51 TRP 51 79 79 TRP TRP B . n B 1 52 VAL 52 80 80 VAL VAL B . n B 1 53 SER 53 81 81 SER SER B . n B 1 54 ARG 54 82 82 ARG ARG B . n B 1 55 ASN 55 83 83 ASN ASN B . n B 1 56 ARG 56 84 84 ARG ARG B . n B 1 57 LEU 57 85 85 LEU LEU B . n B 1 58 PHE 58 86 86 PHE PHE B . n B 1 59 ASN 59 87 87 ASN ASN B . n B 1 60 LEU 60 88 88 LEU LEU B . n B 1 61 GLY 61 89 89 GLY GLY B . n B 1 62 THR 62 90 90 THR THR B . n B 1 63 MET 63 91 91 MET MET B . n B 1 64 GLN 64 92 92 GLN GLN B . n B 1 65 CYS 65 93 93 CYS CYS B . n B 1 66 LEU 66 94 94 LEU LEU B . n B 1 67 GLY 67 95 95 GLY GLY B . n B 1 68 THR 68 96 96 THR THR B . n B 1 69 GLY 69 97 97 GLY GLY B . n B 1 70 TRP 70 98 98 TRP TRP B . n B 1 71 PRO 71 99 99 PRO PRO B . n B 1 72 GLY 72 100 100 GLY GLY B . n B 1 73 THR 73 101 101 THR THR B . n B 1 74 ASN 74 102 102 ASN ASN B . n B 1 75 THR 75 103 103 THR THR B . n B 1 76 THR 76 104 104 THR THR B . n B 1 77 ALA 77 105 105 ALA ALA B . n B 1 78 SER 78 106 106 SER SER B . n B 1 79 LEU 79 107 107 LEU LEU B . n B 1 80 GLY 80 108 108 GLY GLY B . n B 1 81 MET 81 109 109 MET MET B . n B 1 82 TYR 82 110 110 TYR TYR B . n B 1 83 GLU 83 111 111 GLU GLU B . n B 1 84 CYS 84 112 112 CYS CYS B . n B 1 85 ASP 85 113 113 ASP ASP B . n B 1 86 ARG 86 114 114 ARG ARG B . n B 1 87 GLU 87 115 115 GLU GLU B . n B 1 88 ALA 88 116 116 ALA ALA B . n B 1 89 LEU 89 117 117 LEU LEU B . n B 1 90 ASN 90 118 118 ASN ASN B . n B 1 91 LEU 91 119 119 LEU LEU B . n B 1 92 ARG 92 120 120 ARG ARG B . n B 1 93 TRP 93 121 121 TRP TRP B . n B 1 94 HIS 94 122 122 HIS HIS B . n B 1 95 CYS 95 123 123 CYS CYS B . n B 1 96 ARG 96 124 124 ARG ARG B . n B 1 97 THR 97 125 125 THR THR B . n B 1 98 LEU 98 126 126 LEU LEU B . n B 1 99 GLY 99 127 127 GLY GLY B . n B 1 100 ASP 100 128 128 ASP ASP B . n B 1 101 GLN 101 129 129 GLN GLN B . n B 1 102 LEU 102 130 130 LEU LEU B . n B 1 103 SER 103 131 131 SER SER B . n B 1 104 LEU 104 132 132 LEU LEU B . n B 1 105 LEU 105 133 133 LEU LEU B . n B 1 106 LEU 106 134 134 LEU LEU B . n B 1 107 GLY 107 135 135 GLY GLY B . n B 1 108 ALA 108 136 136 ALA ALA B . n B 1 109 ARG 109 137 137 ARG ARG B . n B 1 110 THR 110 138 138 THR THR B . n B 1 111 SER 111 139 139 SER SER B . n B 1 112 ASN 112 140 140 ASN ASN B . n B 1 113 ILE 113 141 141 ILE ILE B . n B 1 114 SER 114 142 142 SER SER B . n B 1 115 LYS 115 143 143 LYS LYS B . n B 1 116 PRO 116 144 144 PRO PRO B . n B 1 117 GLY 117 145 145 GLY GLY B . n B 1 118 THR 118 146 146 THR THR B . n B 1 119 LEU 119 147 147 LEU LEU B . n B 1 120 GLU 120 148 148 GLU GLU B . n B 1 121 ARG 121 149 149 ARG ARG B . n B 1 122 GLY 122 150 150 GLY GLY B . n B 1 123 ASP 123 151 151 ASP ASP B . n B 1 124 GLN 124 152 152 GLN GLN B . n B 1 125 THR 125 153 ? ? ? B . n B 1 126 ARG 126 154 ? ? ? B . n B 1 127 SER 127 155 ? ? ? B . n B 1 128 GLY 128 156 156 GLY GLY B . n B 1 129 GLN 129 157 157 GLN GLN B . n B 1 130 TRP 130 158 158 TRP TRP B . n B 1 131 ARG 131 159 159 ARG ARG B . n B 1 132 ILE 132 160 160 ILE ILE B . n B 1 133 TYR 133 161 161 TYR TYR B . n B 1 134 GLY 134 162 162 GLY GLY B . n B 1 135 SER 135 163 163 SER SER B . n B 1 136 GLU 136 164 164 GLU GLU B . n B 1 137 GLU 137 165 165 GLU GLU B . n B 1 138 ASP 138 166 166 ASP ASP B . n B 1 139 LEU 139 167 167 LEU LEU B . n B 1 140 CYS 140 168 168 CYS CYS B . n B 1 141 ALA 141 169 169 ALA ALA B . n B 1 142 LEU 142 170 170 LEU LEU B . n B 1 143 PRO 143 171 171 PRO PRO B . n B 1 144 TYR 144 172 172 TYR TYR B . n B 1 145 HIS 145 173 173 HIS HIS B . n B 1 146 GLU 146 174 174 GLU GLU B . n B 1 147 VAL 147 175 175 VAL VAL B . n B 1 148 TYR 148 176 176 TYR TYR B . n B 1 149 THR 149 177 177 THR THR B . n B 1 150 ILE 150 178 178 ILE ILE B . n B 1 151 GLN 151 179 179 GLN GLN B . n B 1 152 GLY 152 180 180 GLY GLY B . n B 1 153 ASN 153 181 181 ASN ASN B . n B 1 154 SER 154 182 182 SER SER B . n B 1 155 HIS 155 183 183 HIS HIS B . n B 1 156 GLY 156 184 184 GLY GLY B . n B 1 157 LYS 157 185 185 LYS LYS B . n B 1 158 PRO 158 186 186 PRO PRO B . n B 1 159 CYS 159 187 187 CYS CYS B . n B 1 160 THR 160 188 188 THR THR B . n B 1 161 ILE 161 189 189 ILE ILE B . n B 1 162 PRO 162 190 190 PRO PRO B . n B 1 163 PHE 163 191 191 PHE PHE B . n B 1 164 LYS 164 192 192 LYS LYS B . n B 1 165 TYR 165 193 193 TYR TYR B . n B 1 166 ASP 166 194 194 ASP ASP B . n B 1 167 ASN 167 195 195 ASN ASN B . n B 1 168 GLN 168 196 196 GLN GLN B . n B 1 169 TRP 169 197 197 TRP TRP B . n B 1 170 PHE 170 198 198 PHE PHE B . n B 1 171 HIS 171 199 199 HIS HIS B . n B 1 172 GLY 172 200 200 GLY GLY B . n B 1 173 CYS 173 201 201 CYS CYS B . n B 1 174 THR 174 202 202 THR THR B . n B 1 175 SER 175 203 203 SER SER B . n B 1 176 THR 176 204 204 THR THR B . n B 1 177 GLY 177 205 205 GLY GLY B . n B 1 178 ARG 178 206 206 ARG ARG B . n B 1 179 GLU 179 207 207 GLU GLU B . n B 1 180 ASP 180 208 208 ASP ASP B . n B 1 181 GLY 181 209 209 GLY GLY B . n B 1 182 HIS 182 210 210 HIS HIS B . n B 1 183 LEU 183 211 211 LEU LEU B . n B 1 184 TRP 184 212 212 TRP TRP B . n B 1 185 CYS 185 213 213 CYS CYS B . n B 1 186 ALA 186 214 214 ALA ALA B . n B 1 187 THR 187 215 215 THR THR B . n B 1 188 THR 188 216 216 THR THR B . n B 1 189 GLN 189 217 217 GLN GLN B . n B 1 190 ASP 190 218 218 ASP ASP B . n B 1 191 TYR 191 219 219 TYR TYR B . n B 1 192 GLY 192 220 220 GLY GLY B . n B 1 193 LYS 193 221 221 LYS LYS B . n B 1 194 ASP 194 222 222 ASP ASP B . n B 1 195 GLU 195 223 223 GLU GLU B . n B 1 196 ARG 196 224 224 ARG ARG B . n B 1 197 TRP 197 225 225 TRP TRP B . n B 1 198 GLY 198 226 226 GLY GLY B . n B 1 199 PHE 199 227 227 PHE PHE B . n B 1 200 CYS 200 228 228 CYS CYS B . n B 1 201 PRO 201 229 229 PRO PRO B . n B 1 202 ILE 202 230 230 ILE ILE B . n B 1 203 LYS 203 231 231 LYS LYS B . n B 1 204 SER 204 232 232 SER SER B . n B 1 205 ASN 205 233 233 ASN ASN B . n B 1 206 ASP 206 234 234 ASP ASP B . n B 1 207 CYS 207 235 235 CYS CYS B . n B 1 208 GLU 208 236 236 GLU GLU B . n B 1 209 THR 209 237 237 THR THR B . n B 1 210 PHE 210 238 238 PHE PHE B . n B 1 211 TRP 211 239 239 TRP TRP B . n B 1 212 ASP 212 240 240 ASP ASP B . n B 1 213 LYS 213 241 241 LYS LYS B . n B 1 214 ASP 214 242 242 ASP ASP B . n B 1 215 GLN 215 243 243 GLN GLN B . n B 1 216 LEU 216 244 244 LEU LEU B . n B 1 217 THR 217 245 245 THR THR B . n B 1 218 ASP 218 246 246 ASP ASP B . n B 1 219 SER 219 247 247 SER SER B . n B 1 220 CYS 220 248 248 CYS CYS B . n B 1 221 TYR 221 249 249 TYR TYR B . n B 1 222 GLN 222 250 250 GLN GLN B . n B 1 223 PHE 223 251 251 PHE PHE B . n B 1 224 ASN 224 252 252 ASN ASN B . n B 1 225 PHE 225 253 253 PHE PHE B . n B 1 226 GLN 226 254 254 GLN GLN B . n B 1 227 SER 227 255 255 SER SER B . n B 1 228 THR 228 256 256 THR THR B . n B 1 229 LEU 229 257 257 LEU LEU B . n B 1 230 SER 230 258 258 SER SER B . n B 1 231 TRP 231 259 259 TRP TRP B . n B 1 232 ARG 232 260 260 ARG ARG B . n B 1 233 GLU 233 261 261 GLU GLU B . n B 1 234 ALA 234 262 262 ALA ALA B . n B 1 235 TRP 235 263 263 TRP TRP B . n B 1 236 ALA 236 264 264 ALA ALA B . n B 1 237 SER 237 265 265 SER SER B . n B 1 238 CYS 238 266 266 CYS CYS B . n B 1 239 GLU 239 267 267 GLU GLU B . n B 1 240 GLN 240 268 268 GLN GLN B . n B 1 241 GLN 241 269 269 GLN GLN B . n B 1 242 GLY 242 270 270 GLY GLY B . n B 1 243 ALA 243 271 271 ALA ALA B . n B 1 244 ASP 244 272 272 ASP ASP B . n B 1 245 LEU 245 273 273 LEU LEU B . n B 1 246 LEU 246 274 274 LEU LEU B . n B 1 247 SER 247 275 275 SER SER B . n B 1 248 ILE 248 276 276 ILE ILE B . n B 1 249 THR 249 277 277 THR THR B . n B 1 250 GLU 250 278 278 GLU GLU B . n B 1 251 ILE 251 279 279 ILE ILE B . n B 1 252 HIS 252 280 280 HIS HIS B . n B 1 253 GLU 253 281 281 GLU GLU B . n B 1 254 GLN 254 282 282 GLN GLN B . n B 1 255 THR 255 283 283 THR THR B . n B 1 256 TYR 256 284 284 TYR TYR B . n B 1 257 ILE 257 285 285 ILE ILE B . n B 1 258 ASN 258 286 286 ASN ASN B . n B 1 259 GLY 259 287 287 GLY GLY B . n B 1 260 LEU 260 288 288 LEU LEU B . n B 1 261 LEU 261 289 289 LEU LEU B . n B 1 262 THR 262 290 290 THR THR B . n B 1 263 GLY 263 291 291 GLY GLY B . n B 1 264 TYR 264 292 292 TYR TYR B . n B 1 265 SER 265 293 293 SER SER B . n B 1 266 SER 266 294 294 SER SER B . n B 1 267 THR 267 295 295 THR THR B . n B 1 268 LEU 268 296 296 LEU LEU B . n B 1 269 TRP 269 297 297 TRP TRP B . n B 1 270 ILE 270 298 298 ILE ILE B . n B 1 271 GLY 271 299 299 GLY GLY B . n B 1 272 LEU 272 300 300 LEU LEU B . n B 1 273 ASN 273 301 301 ASN ASN B . n B 1 274 ASP 274 302 302 ASP ASP B . n B 1 275 LEU 275 303 303 LEU LEU B . n B 1 276 ASP 276 304 304 ASP ASP B . n B 1 277 THR 277 305 305 THR THR B . n B 1 278 SER 278 306 306 SER SER B . n B 1 279 GLY 279 307 307 GLY GLY B . n B 1 280 GLY 280 308 308 GLY GLY B . n B 1 281 TRP 281 309 309 TRP TRP B . n B 1 282 GLN 282 310 310 GLN GLN B . n B 1 283 TRP 283 311 311 TRP TRP B . n B 1 284 SER 284 312 312 SER SER B . n B 1 285 ASP 285 313 313 ASP ASP B . n B 1 286 ASN 286 314 314 ASN ASN B . n B 1 287 SER 287 315 315 SER SER B . n B 1 288 PRO 288 316 316 PRO PRO B . n B 1 289 LEU 289 317 317 LEU LEU B . n B 1 290 LYS 290 318 318 LYS LYS B . n B 1 291 TYR 291 319 319 TYR TYR B . n B 1 292 LEU 292 320 320 LEU LEU B . n B 1 293 ASN 293 321 321 ASN ASN B . n B 1 294 TRP 294 322 322 TRP TRP B . n B 1 295 GLU 295 323 323 GLU GLU B . n B 1 296 SER 296 324 324 SER SER B . n B 1 297 ASP 297 325 325 ASP ASP B . n B 1 298 GLN 298 326 326 GLN GLN B . n B 1 299 PRO 299 327 327 PRO PRO B . n B 1 300 ASP 300 328 328 ASP ASP B . n B 1 301 ASN 301 329 329 ASN ASN B . n B 1 302 PRO 302 330 330 PRO PRO B . n B 1 303 SER 303 331 331 SER SER B . n B 1 304 GLU 304 332 332 GLU GLU B . n B 1 305 GLU 305 333 333 GLU GLU B . n B 1 306 ASN 306 334 334 ASN ASN B . n B 1 307 CYS 307 335 335 CYS CYS B . n B 1 308 GLY 308 336 336 GLY GLY B . n B 1 309 VAL 309 337 337 VAL VAL B . n B 1 310 ILE 310 338 338 ILE ILE B . n B 1 311 ARG 311 339 339 ARG ARG B . n B 1 312 THR 312 340 340 THR THR B . n B 1 313 GLU 313 341 341 GLU GLU B . n B 1 314 SER 314 342 342 SER SER B . n B 1 315 SER 315 343 343 SER SER B . n B 1 316 GLY 316 344 344 GLY GLY B . n B 1 317 GLY 317 345 345 GLY GLY B . n B 1 318 TRP 318 346 346 TRP TRP B . n B 1 319 GLN 319 347 347 GLN GLN B . n B 1 320 ASN 320 348 348 ASN ASN B . n B 1 321 ARG 321 349 349 ARG ARG B . n B 1 322 ASP 322 350 350 ASP ASP B . n B 1 323 CYS 323 351 351 CYS CYS B . n B 1 324 SER 324 352 352 SER SER B . n B 1 325 ILE 325 353 353 ILE ILE B . n B 1 326 ALA 326 354 354 ALA ALA B . n B 1 327 LEU 327 355 355 LEU LEU B . n B 1 328 PRO 328 356 356 PRO PRO B . n B 1 329 TYR 329 357 357 TYR TYR B . n B 1 330 VAL 330 358 358 VAL VAL B . n B 1 331 CYS 331 359 359 CYS CYS B . n B 1 332 LYS 332 360 360 LYS LYS B . n B 1 333 LYS 333 361 361 LYS LYS B . n B 1 334 LYS 334 362 362 LYS LYS B . n B 1 335 PRO 335 363 363 PRO PRO B . n B 1 336 ASN 336 364 364 ASN ASN B . n B 1 337 ALA 337 365 365 ALA ALA B . n B 1 338 THR 338 366 ? ? ? B . n B 1 339 ALA 339 367 ? ? ? B . n B 1 340 GLU 340 368 ? ? ? B . n B 1 341 PRO 341 369 ? ? ? B . n B 1 342 THR 342 370 ? ? ? B . n B 1 343 PRO 343 371 ? ? ? B . n B 1 344 PRO 344 372 ? ? ? B . n B 1 345 ASP 345 373 ? ? ? B . n B 1 346 ARG 346 374 ? ? ? B . n B 1 347 TRP 347 375 ? ? ? B . n B 1 348 ALA 348 376 ? ? ? B . n B 1 349 ASN 349 377 ? ? ? B . n B 1 350 VAL 350 378 ? ? ? B . n B 1 351 LYS 351 379 ? ? ? B . n B 1 352 VAL 352 380 ? ? ? B . n B 1 353 GLU 353 381 ? ? ? B . n B 1 354 CYS 354 382 ? ? ? B . n B 1 355 GLU 355 383 ? ? ? B . n B 1 356 PRO 356 384 ? ? ? B . n B 1 357 SER 357 385 ? ? ? B . n B 1 358 TRP 358 386 ? ? ? B . n B 1 359 GLN 359 387 ? ? ? B . n B 1 360 PRO 360 388 ? ? ? B . n B 1 361 PHE 361 389 ? ? ? B . n B 1 362 GLN 362 390 ? ? ? B . n B 1 363 GLY 363 391 ? ? ? B . n B 1 364 HIS 364 392 ? ? ? B . n B 1 365 CYS 365 393 ? ? ? B . n B 1 366 TYR 366 394 ? ? ? B . n B 1 367 ARG 367 395 ? ? ? B . n B 1 368 LEU 368 396 ? ? ? B . n B 1 369 GLN 369 397 ? ? ? B . n B 1 370 ALA 370 398 ? ? ? B . n B 1 371 GLU 371 399 ? ? ? B . n B 1 372 LYS 372 400 ? ? ? B . n B 1 373 ARG 373 401 ? ? ? B . n B 1 374 SER 374 402 ? ? ? B . n B 1 375 TRP 375 403 ? ? ? B . n B 1 376 GLN 376 404 ? ? ? B . n B 1 377 GLU 377 405 ? ? ? B . n B 1 378 SER 378 406 ? ? ? B . n B 1 379 LYS 379 407 ? ? ? B . n B 1 380 LYS 380 408 ? ? ? B . n B 1 381 ALA 381 409 ? ? ? B . n B 1 382 CYS 382 410 ? ? ? B . n B 1 383 LEU 383 411 ? ? ? B . n B 1 384 ARG 384 412 ? ? ? B . n B 1 385 GLY 385 413 ? ? ? B . n B 1 386 GLY 386 414 ? ? ? B . n B 1 387 GLY 387 415 ? ? ? B . n B 1 388 ASP 388 416 ? ? ? B . n B 1 389 LEU 389 417 ? ? ? B . n B 1 390 VAL 390 418 ? ? ? B . n B 1 391 SER 391 419 ? ? ? B . n B 1 392 ILE 392 420 ? ? ? B . n B 1 393 HIS 393 421 ? ? ? B . n B 1 394 SER 394 422 ? ? ? B . n B 1 395 MET 395 423 ? ? ? B . n B 1 396 ALA 396 424 ? ? ? B . n B 1 397 GLU 397 425 ? ? ? B . n B 1 398 LEU 398 426 ? ? ? B . n B 1 399 GLU 399 427 ? ? ? B . n B 1 400 PHE 400 428 ? ? ? B . n B 1 401 ILE 401 429 ? ? ? B . n B 1 402 THR 402 430 ? ? ? B . n B 1 403 LYS 403 431 ? ? ? B . n B 1 404 GLN 404 432 ? ? ? B . n B 1 405 ILE 405 433 ? ? ? B . n B 1 406 LYS 406 434 ? ? ? B . n B 1 407 GLN 407 435 ? ? ? B . n B 1 408 GLU 408 436 ? ? ? B . n B 1 409 VAL 409 437 ? ? ? B . n B 1 410 GLU 410 438 ? ? ? B . n B 1 411 GLU 411 439 ? ? ? B . n B 1 412 LEU 412 440 ? ? ? B . n B 1 413 TRP 413 441 ? ? ? B . n B 1 414 ILE 414 442 442 ILE ILE B . n B 1 415 GLY 415 443 443 GLY GLY B . n B 1 416 LEU 416 444 444 LEU LEU B . n B 1 417 ASN 417 445 445 ASN ASN B . n B 1 418 ASP 418 446 446 ASP ASP B . n B 1 419 LEU 419 447 447 LEU LEU B . n B 1 420 LYS 420 448 448 LYS LYS B . n B 1 421 LEU 421 449 449 LEU LEU B . n B 1 422 GLN 422 450 450 GLN GLN B . n B 1 423 MET 423 451 451 MET MET B . n B 1 424 ASN 424 452 452 ASN ASN B . n B 1 425 PHE 425 453 453 PHE PHE B . n B 1 426 GLU 426 454 454 GLU GLU B . n B 1 427 TRP 427 455 455 TRP TRP B . n B 1 428 SER 428 456 456 SER SER B . n B 1 429 ASP 429 457 457 ASP ASP B . n B 1 430 GLY 430 458 458 GLY GLY B . n B 1 431 SER 431 459 459 SER SER B . n B 1 432 LEU 432 460 460 LEU LEU B . n B 1 433 VAL 433 461 461 VAL VAL B . n B 1 434 SER 434 462 462 SER SER B . n B 1 435 PHE 435 463 463 PHE PHE B . n B 1 436 THR 436 464 464 THR THR B . n B 1 437 HIS 437 465 465 HIS HIS B . n B 1 438 TRP 438 466 466 TRP TRP B . n B 1 439 HIS 439 467 467 HIS HIS B . n B 1 440 PRO 440 468 468 PRO PRO B . n B 1 441 PHE 441 469 469 PHE PHE B . n B 1 442 GLU 442 470 470 GLU GLU B . n B 1 443 PRO 443 471 471 PRO PRO B . n B 1 444 ASN 444 472 472 ASN ASN B . n B 1 445 ASN 445 473 473 ASN ASN B . n B 1 446 PHE 446 474 474 PHE PHE B . n B 1 447 ARG 447 475 475 ARG ARG B . n B 1 448 ASP 448 476 476 ASP ASP B . n B 1 449 SER 449 477 477 SER SER B . n B 1 450 LEU 450 478 478 LEU LEU B . n B 1 451 GLU 451 479 479 GLU GLU B . n B 1 452 ASP 452 480 480 ASP ASP B . n B 1 453 CYS 453 481 481 CYS CYS B . n B 1 454 VAL 454 482 482 VAL VAL B . n B 1 455 THR 455 483 483 THR THR B . n B 1 456 ILE 456 484 484 ILE ILE B . n B 1 457 TRP 457 485 485 TRP TRP B . n B 1 458 GLY 458 486 486 GLY GLY B . n B 1 459 PRO 459 487 487 PRO PRO B . n B 1 460 GLU 460 488 488 GLU GLU B . n B 1 461 GLY 461 489 ? ? ? B . n B 1 462 ARG 462 490 490 ARG ARG B . n B 1 463 TRP 463 491 491 TRP TRP B . n B 1 464 ASN 464 492 492 ASN ASN B . n B 1 465 ASP 465 493 493 ASP ASP B . n B 1 466 SER 466 494 494 SER SER B . n B 1 467 PRO 467 495 495 PRO PRO B . n B 1 468 CYS 468 496 496 CYS CYS B . n B 1 469 ASN 469 497 497 ASN ASN B . n B 1 470 GLN 470 498 498 GLN GLN B . n B 1 471 SER 471 499 499 SER SER B . n B 1 472 LEU 472 500 500 LEU LEU B . n B 1 473 PRO 473 501 501 PRO PRO B . n B 1 474 SER 474 502 502 SER SER B . n B 1 475 ILE 475 503 503 ILE ILE B . n B 1 476 CYS 476 504 504 CYS CYS B . n B 1 477 LYS 477 505 505 LYS LYS B . n B 1 478 LYS 478 506 ? ? ? B . n B 1 479 ALA 479 507 ? ? ? B . n B 1 480 GLY 480 508 ? ? ? B . n B 1 481 GLN 481 509 ? ? ? B . n B 1 482 LEU 482 510 ? ? ? B . n B 1 483 THR 483 511 ? ? ? B . n B 1 484 ARG 484 512 ? ? ? B . n B 1 485 THR 485 513 ? ? ? B . n B 1 486 GLY 486 514 ? ? ? B . n B 1 487 HIS 487 515 ? ? ? B . n B 1 488 HIS 488 516 ? ? ? B . n B 1 489 HIS 489 517 ? ? ? B . n B 1 490 HIS 490 518 ? ? ? B . n B 1 491 HIS 491 519 ? ? ? B . n B 1 492 HIS 492 520 ? ? ? B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 CA 1 601 601 CA CA A . D 2 CA 1 602 602 CA CA A . E 2 CA 1 603 603 CA CA A . F 3 NAG 1 604 604 NAG NAG A . G 2 CA 1 601 601 CA CA B . H 2 CA 1 602 602 CA CA B . I 2 CA 1 603 603 CA CA B . J 3 NAG 1 604 604 NAG NAG B . K 4 HOH 1 701 265 HOH HOH A . K 4 HOH 2 702 68 HOH HOH A . K 4 HOH 3 703 252 HOH HOH A . K 4 HOH 4 704 220 HOH HOH A . K 4 HOH 5 705 314 HOH HOH A . K 4 HOH 6 706 15 HOH HOH A . K 4 HOH 7 707 11 HOH HOH A . K 4 HOH 8 708 188 HOH HOH A . K 4 HOH 9 709 79 HOH HOH A . K 4 HOH 10 710 28 HOH HOH A . K 4 HOH 11 711 230 HOH HOH A . K 4 HOH 12 712 22 HOH HOH A . K 4 HOH 13 713 2 HOH HOH A . K 4 HOH 14 714 178 HOH HOH A . K 4 HOH 15 715 80 HOH HOH A . K 4 HOH 16 716 93 HOH HOH A . K 4 HOH 17 717 231 HOH HOH A . K 4 HOH 18 718 7 HOH HOH A . K 4 HOH 19 719 12 HOH HOH A . K 4 HOH 20 720 147 HOH HOH A . K 4 HOH 21 721 284 HOH HOH A . K 4 HOH 22 722 317 HOH HOH A . K 4 HOH 23 723 295 HOH HOH A . K 4 HOH 24 724 139 HOH HOH A . K 4 HOH 25 725 29 HOH HOH A . K 4 HOH 26 726 200 HOH HOH A . K 4 HOH 27 727 227 HOH HOH A . K 4 HOH 28 728 61 HOH HOH A . K 4 HOH 29 729 64 HOH HOH A . K 4 HOH 30 730 30 HOH HOH A . K 4 HOH 31 731 278 HOH HOH A . K 4 HOH 32 732 245 HOH HOH A . K 4 HOH 33 733 241 HOH HOH A . K 4 HOH 34 734 138 HOH HOH A . K 4 HOH 35 735 177 HOH HOH A . K 4 HOH 36 736 243 HOH HOH A . K 4 HOH 37 737 272 HOH HOH A . K 4 HOH 38 738 218 HOH HOH A . K 4 HOH 39 739 185 HOH HOH A . K 4 HOH 40 740 183 HOH HOH A . K 4 HOH 41 741 198 HOH HOH A . K 4 HOH 42 742 268 HOH HOH A . K 4 HOH 43 743 46 HOH HOH A . K 4 HOH 44 744 45 HOH HOH A . K 4 HOH 45 745 100 HOH HOH A . K 4 HOH 46 746 38 HOH HOH A . K 4 HOH 47 747 9 HOH HOH A . K 4 HOH 48 748 107 HOH HOH A . K 4 HOH 49 749 262 HOH HOH A . K 4 HOH 50 750 214 HOH HOH A . K 4 HOH 51 751 18 HOH HOH A . K 4 HOH 52 752 219 HOH HOH A . K 4 HOH 53 753 90 HOH HOH A . K 4 HOH 54 754 65 HOH HOH A . K 4 HOH 55 755 14 HOH HOH A . K 4 HOH 56 756 13 HOH HOH A . K 4 HOH 57 757 16 HOH HOH A . K 4 HOH 58 758 316 HOH HOH A . K 4 HOH 59 759 56 HOH HOH A . K 4 HOH 60 760 234 HOH HOH A . K 4 HOH 61 761 143 HOH HOH A . K 4 HOH 62 762 145 HOH HOH A . K 4 HOH 63 763 172 HOH HOH A . K 4 HOH 64 764 191 HOH HOH A . K 4 HOH 65 765 34 HOH HOH A . K 4 HOH 66 766 23 HOH HOH A . K 4 HOH 67 767 166 HOH HOH A . K 4 HOH 68 768 5 HOH HOH A . K 4 HOH 69 769 258 HOH HOH A . K 4 HOH 70 770 40 HOH HOH A . K 4 HOH 71 771 197 HOH HOH A . K 4 HOH 72 772 310 HOH HOH A . K 4 HOH 73 773 27 HOH HOH A . K 4 HOH 74 774 267 HOH HOH A . K 4 HOH 75 775 6 HOH HOH A . K 4 HOH 76 776 31 HOH HOH A . K 4 HOH 77 777 113 HOH HOH A . K 4 HOH 78 778 271 HOH HOH A . K 4 HOH 79 779 49 HOH HOH A . K 4 HOH 80 780 274 HOH HOH A . K 4 HOH 81 781 193 HOH HOH A . K 4 HOH 82 782 35 HOH HOH A . K 4 HOH 83 783 293 HOH HOH A . K 4 HOH 84 784 161 HOH HOH A . K 4 HOH 85 785 283 HOH HOH A . K 4 HOH 86 786 51 HOH HOH A . K 4 HOH 87 787 301 HOH HOH A . K 4 HOH 88 788 315 HOH HOH A . K 4 HOH 89 789 313 HOH HOH A . K 4 HOH 90 790 121 HOH HOH A . K 4 HOH 91 791 141 HOH HOH A . K 4 HOH 92 792 66 HOH HOH A . K 4 HOH 93 793 77 HOH HOH A . K 4 HOH 94 794 111 HOH HOH A . K 4 HOH 95 795 104 HOH HOH A . K 4 HOH 96 796 146 HOH HOH A . K 4 HOH 97 797 72 HOH HOH A . K 4 HOH 98 798 175 HOH HOH A . K 4 HOH 99 799 37 HOH HOH A . K 4 HOH 100 800 81 HOH HOH A . K 4 HOH 101 801 257 HOH HOH A . K 4 HOH 102 802 53 HOH HOH A . K 4 HOH 103 803 43 HOH HOH A . K 4 HOH 104 804 82 HOH HOH A . K 4 HOH 105 805 60 HOH HOH A . K 4 HOH 106 806 199 HOH HOH A . K 4 HOH 107 807 291 HOH HOH A . K 4 HOH 108 808 303 HOH HOH A . K 4 HOH 109 809 74 HOH HOH A . K 4 HOH 110 810 289 HOH HOH A . K 4 HOH 111 811 190 HOH HOH A . K 4 HOH 112 812 135 HOH HOH A . K 4 HOH 113 813 169 HOH HOH A . K 4 HOH 114 814 96 HOH HOH A . K 4 HOH 115 815 132 HOH HOH A . K 4 HOH 116 816 173 HOH HOH A . K 4 HOH 117 817 232 HOH HOH A . K 4 HOH 118 818 298 HOH HOH A . K 4 HOH 119 819 115 HOH HOH A . K 4 HOH 120 820 242 HOH HOH A . K 4 HOH 121 821 176 HOH HOH A . L 4 HOH 1 701 120 HOH HOH B . L 4 HOH 2 702 212 HOH HOH B . L 4 HOH 3 703 247 HOH HOH B . L 4 HOH 4 704 33 HOH HOH B . L 4 HOH 5 705 99 HOH HOH B . L 4 HOH 6 706 164 HOH HOH B . L 4 HOH 7 707 3 HOH HOH B . L 4 HOH 8 708 47 HOH HOH B . L 4 HOH 9 709 136 HOH HOH B . L 4 HOH 10 710 279 HOH HOH B . L 4 HOH 11 711 240 HOH HOH B . L 4 HOH 12 712 54 HOH HOH B . L 4 HOH 13 713 44 HOH HOH B . L 4 HOH 14 714 250 HOH HOH B . L 4 HOH 15 715 229 HOH HOH B . L 4 HOH 16 716 201 HOH HOH B . L 4 HOH 17 717 196 HOH HOH B . L 4 HOH 18 718 57 HOH HOH B . L 4 HOH 19 719 160 HOH HOH B . L 4 HOH 20 720 179 HOH HOH B . L 4 HOH 21 721 21 HOH HOH B . L 4 HOH 22 722 282 HOH HOH B . L 4 HOH 23 723 73 HOH HOH B . L 4 HOH 24 724 273 HOH HOH B . L 4 HOH 25 725 149 HOH HOH B . L 4 HOH 26 726 154 HOH HOH B . L 4 HOH 27 727 39 HOH HOH B . L 4 HOH 28 728 171 HOH HOH B . L 4 HOH 29 729 1 HOH HOH B . L 4 HOH 30 730 217 HOH HOH B . L 4 HOH 31 731 25 HOH HOH B . L 4 HOH 32 732 269 HOH HOH B . L 4 HOH 33 733 286 HOH HOH B . L 4 HOH 34 734 223 HOH HOH B . L 4 HOH 35 735 89 HOH HOH B . L 4 HOH 36 736 225 HOH HOH B . L 4 HOH 37 737 92 HOH HOH B . L 4 HOH 38 738 309 HOH HOH B . L 4 HOH 39 739 162 HOH HOH B . L 4 HOH 40 740 128 HOH HOH B . L 4 HOH 41 741 307 HOH HOH B . L 4 HOH 42 742 20 HOH HOH B . L 4 HOH 43 743 159 HOH HOH B . L 4 HOH 44 744 62 HOH HOH B . L 4 HOH 45 745 256 HOH HOH B . L 4 HOH 46 746 148 HOH HOH B . L 4 HOH 47 747 156 HOH HOH B . L 4 HOH 48 748 186 HOH HOH B . L 4 HOH 49 749 142 HOH HOH B . L 4 HOH 50 750 296 HOH HOH B . L 4 HOH 51 751 85 HOH HOH B . L 4 HOH 52 752 299 HOH HOH B . L 4 HOH 53 753 32 HOH HOH B . L 4 HOH 54 754 17 HOH HOH B . L 4 HOH 55 755 260 HOH HOH B . L 4 HOH 56 756 118 HOH HOH B . L 4 HOH 57 757 87 HOH HOH B . L 4 HOH 58 758 140 HOH HOH B . L 4 HOH 59 759 207 HOH HOH B . L 4 HOH 60 760 270 HOH HOH B . L 4 HOH 61 761 263 HOH HOH B . L 4 HOH 62 762 134 HOH HOH B . L 4 HOH 63 763 222 HOH HOH B . L 4 HOH 64 764 86 HOH HOH B . L 4 HOH 65 765 157 HOH HOH B . L 4 HOH 66 766 55 HOH HOH B . L 4 HOH 67 767 276 HOH HOH B . L 4 HOH 68 768 221 HOH HOH B . L 4 HOH 69 769 280 HOH HOH B . L 4 HOH 70 770 151 HOH HOH B . L 4 HOH 71 771 239 HOH HOH B . L 4 HOH 72 772 150 HOH HOH B . L 4 HOH 73 773 59 HOH HOH B . L 4 HOH 74 774 174 HOH HOH B . L 4 HOH 75 775 131 HOH HOH B . L 4 HOH 76 776 306 HOH HOH B . L 4 HOH 77 777 235 HOH HOH B . L 4 HOH 78 778 312 HOH HOH B . L 4 HOH 79 779 253 HOH HOH B . L 4 HOH 80 780 187 HOH HOH B . L 4 HOH 81 781 114 HOH HOH B . # 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 monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,K 2 1 B,G,H,I,J,L # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 270 ? 1 MORE -10 ? 1 'SSA (A^2)' 21650 ? 2 'ABSA (A^2)' 170 ? 2 MORE 2 ? 2 'SSA (A^2)' 20830 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OE1 ? A GLN 298 ? A GLN 326 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 OD1 ? A ASP 300 ? A ASP 328 ? 1_555 86.2 ? 2 OE1 ? A GLN 298 ? A GLN 326 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 OE1 ? A GLU 305 ? A GLU 333 ? 1_555 148.8 ? 3 OD1 ? A ASP 300 ? A ASP 328 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 OE1 ? A GLU 305 ? A GLU 333 ? 1_555 78.0 ? 4 OE1 ? A GLN 298 ? A GLN 326 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 O ? A ASN 320 ? A ASN 348 ? 1_555 99.2 ? 5 OD1 ? A ASP 300 ? A ASP 328 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 O ? A ASN 320 ? A ASN 348 ? 1_555 146.8 ? 6 OE1 ? A GLU 305 ? A GLU 333 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 O ? A ASN 320 ? A ASN 348 ? 1_555 80.9 ? 7 OE1 ? A GLN 298 ? A GLN 326 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 OD1 ? A ASN 320 ? A ASN 348 ? 1_555 66.3 ? 8 OD1 ? A ASP 300 ? A ASP 328 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 OD1 ? A ASN 320 ? A ASN 348 ? 1_555 82.1 ? 9 OE1 ? A GLU 305 ? A GLU 333 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 OD1 ? A ASN 320 ? A ASN 348 ? 1_555 84.8 ? 10 O ? A ASN 320 ? A ASN 348 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 OD1 ? A ASN 320 ? A ASN 348 ? 1_555 70.6 ? 11 OE1 ? A GLN 298 ? A GLN 326 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 O ? K HOH . ? A HOH 788 ? 1_555 111.6 ? 12 OD1 ? A ASP 300 ? A ASP 328 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 O ? K HOH . ? A HOH 788 ? 1_555 114.8 ? 13 OE1 ? A GLU 305 ? A GLU 333 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 O ? K HOH . ? A HOH 788 ? 1_555 99.5 ? 14 O ? A ASN 320 ? A ASN 348 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 O ? K HOH . ? A HOH 788 ? 1_555 93.8 ? 15 OD1 ? A ASN 320 ? A ASN 348 ? 1_555 CA ? E CA . ? A CA 603 ? 1_555 O ? K HOH . ? A HOH 788 ? 1_555 163.1 ? 16 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 48.7 ? 17 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 95.0 ? 18 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 91.8 ? 19 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 173.9 ? 20 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 134.7 ? 21 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 90.1 ? 22 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A GLU 451 ? A GLU 479 ? 1_555 103.8 ? 23 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A GLU 451 ? A GLU 479 ? 1_555 104.9 ? 24 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A GLU 451 ? A GLU 479 ? 1_555 160.3 ? 25 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A GLU 451 ? A GLU 479 ? 1_555 70.8 ? 26 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 64.5 ? 27 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 113.1 ? 28 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 92.8 ? 29 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 111.9 ? 30 O ? A GLU 451 ? A GLU 479 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 90.2 ? 31 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? K HOH . ? A HOH 705 ? 1_555 122.5 ? 32 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? K HOH . ? A HOH 705 ? 1_555 76.7 ? 33 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? K HOH . ? A HOH 705 ? 1_555 104.3 ? 34 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? K HOH . ? A HOH 705 ? 1_555 59.2 ? 35 O ? A GLU 451 ? A GLU 479 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? K HOH . ? A HOH 705 ? 1_555 70.4 ? 36 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? K HOH . ? A HOH 705 ? 1_555 160.2 ? 37 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OE2 ? A GLU 442 ? A GLU 470 ? 1_555 45.2 ? 38 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 84.0 ? 39 OE2 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 113.9 ? 40 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 145.5 ? 41 OE2 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 154.9 ? 42 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 62.1 ? 43 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 72.3 ? 44 OE2 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 66.1 ? 45 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 144.9 ? 46 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 132.8 ? 47 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? A ASP 465 ? A ASP 493 ? 1_555 119.8 ? 48 OE2 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? A ASP 465 ? A ASP 493 ? 1_555 139.2 ? 49 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? A ASP 465 ? A ASP 493 ? 1_555 98.2 ? 50 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? A ASP 465 ? A ASP 493 ? 1_555 62.9 ? 51 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? A ASP 465 ? A ASP 493 ? 1_555 73.2 ? 52 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 63.7 ? 53 OE2 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 106.9 ? 54 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 65.6 ? 55 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 94.0 ? 56 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 80.6 ? 57 O ? A ASP 465 ? A ASP 493 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 63.2 ? 58 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 758 ? 1_555 152.7 ? 59 OE2 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 758 ? 1_555 109.2 ? 60 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 758 ? 1_555 120.6 ? 61 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 758 ? 1_555 61.4 ? 62 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 758 ? 1_555 89.5 ? 63 O ? A ASP 465 ? A ASP 493 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 758 ? 1_555 71.3 ? 64 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 758 ? 1_555 134.5 ? 65 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 722 ? 1_555 94.4 ? 66 OE2 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 722 ? 1_555 51.7 ? 67 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 722 ? 1_555 115.5 ? 68 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 722 ? 1_555 105.8 ? 69 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 722 ? 1_555 92.3 ? 70 O ? A ASP 465 ? A ASP 493 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 722 ? 1_555 134.5 ? 71 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 722 ? 1_555 158.1 ? 72 O ? K HOH . ? A HOH 758 ? 1_555 CA ? D CA . ? A CA 602 ? 1_555 O ? K HOH . ? A HOH 722 ? 1_555 65.6 ? 73 OE1 ? B GLN 298 ? B GLN 326 ? 1_555 CA ? I CA . ? B CA 603 ? 1_555 OE1 ? B GLU 305 ? B GLU 333 ? 1_555 122.6 ? 74 OE1 ? B GLN 298 ? B GLN 326 ? 1_555 CA ? I CA . ? B CA 603 ? 1_555 OE2 ? B GLU 305 ? B GLU 333 ? 1_555 161.6 ? 75 OE1 ? B GLU 305 ? B GLU 333 ? 1_555 CA ? I CA . ? B CA 603 ? 1_555 OE2 ? B GLU 305 ? B GLU 333 ? 1_555 45.6 ? 76 OE1 ? B GLN 298 ? B GLN 326 ? 1_555 CA ? I CA . ? B CA 603 ? 1_555 O ? B ASN 320 ? B ASN 348 ? 1_555 92.3 ? 77 OE1 ? B GLU 305 ? B GLU 333 ? 1_555 CA ? I CA . ? B CA 603 ? 1_555 O ? B ASN 320 ? B ASN 348 ? 1_555 63.5 ? 78 OE2 ? B GLU 305 ? B GLU 333 ? 1_555 CA ? I CA . ? B CA 603 ? 1_555 O ? B ASN 320 ? B ASN 348 ? 1_555 70.0 ? 79 OD1 ? B ASP 418 ? B ASP 446 ? 1_555 CA ? G CA . ? B CA 601 ? 1_555 OD2 ? B ASP 418 ? B ASP 446 ? 1_555 47.4 ? 80 OD1 ? B ASP 418 ? B ASP 446 ? 1_555 CA ? G CA . ? B CA 601 ? 1_555 OE1 ? B GLN 422 ? B GLN 450 ? 1_555 124.5 ? 81 OD2 ? B ASP 418 ? B ASP 446 ? 1_555 CA ? G CA . ? B CA 601 ? 1_555 OE1 ? B GLN 422 ? B GLN 450 ? 1_555 77.2 ? 82 OD1 ? B ASP 418 ? B ASP 446 ? 1_555 CA ? G CA . ? B CA 601 ? 1_555 OD1 ? B ASN 445 ? B ASN 473 ? 1_555 145.8 ? 83 OD2 ? B ASP 418 ? B ASP 446 ? 1_555 CA ? G CA . ? B CA 601 ? 1_555 OD1 ? B ASN 445 ? B ASN 473 ? 1_555 141.9 ? 84 OE1 ? B GLN 422 ? B GLN 450 ? 1_555 CA ? G CA . ? B CA 601 ? 1_555 OD1 ? B ASN 445 ? B ASN 473 ? 1_555 76.4 ? 85 OD1 ? B ASP 418 ? B ASP 446 ? 1_555 CA ? G CA . ? B CA 601 ? 1_555 O ? B GLU 451 ? B GLU 479 ? 1_555 75.4 ? 86 OD2 ? B ASP 418 ? B ASP 446 ? 1_555 CA ? G CA . ? B CA 601 ? 1_555 O ? B GLU 451 ? B GLU 479 ? 1_555 102.1 ? 87 OE1 ? B GLN 422 ? B GLN 450 ? 1_555 CA ? G CA . ? B CA 601 ? 1_555 O ? B GLU 451 ? B GLU 479 ? 1_555 122.2 ? 88 OD1 ? B ASN 445 ? B ASN 473 ? 1_555 CA ? G CA . ? B CA 601 ? 1_555 O ? B GLU 451 ? B GLU 479 ? 1_555 70.4 ? 89 OD1 ? B ASN 444 ? B ASN 472 ? 1_555 CA ? H CA . ? B CA 602 ? 1_555 OE1 ? B GLU 451 ? B GLU 479 ? 1_555 62.3 ? 90 OD1 ? B ASN 444 ? B ASN 472 ? 1_555 CA ? H CA . ? B CA 602 ? 1_555 OD1 ? B ASN 464 ? B ASN 492 ? 1_555 130.0 ? 91 OE1 ? B GLU 451 ? B GLU 479 ? 1_555 CA ? H CA . ? B CA 602 ? 1_555 OD1 ? B ASN 464 ? B ASN 492 ? 1_555 159.4 ? 92 OD1 ? B ASN 444 ? B ASN 472 ? 1_555 CA ? H CA . ? B CA 602 ? 1_555 O ? B ASP 465 ? B ASP 493 ? 1_555 102.7 ? 93 OE1 ? B GLU 451 ? B GLU 479 ? 1_555 CA ? H CA . ? B CA 602 ? 1_555 O ? B ASP 465 ? B ASP 493 ? 1_555 68.7 ? 94 OD1 ? B ASN 464 ? B ASN 492 ? 1_555 CA ? H CA . ? B CA 602 ? 1_555 O ? B ASP 465 ? B ASP 493 ? 1_555 117.0 ? 95 OD1 ? B ASN 444 ? B ASN 472 ? 1_555 CA ? H CA . ? B CA 602 ? 1_555 OD1 ? B ASP 465 ? B ASP 493 ? 1_555 59.2 ? 96 OE1 ? B GLU 451 ? B GLU 479 ? 1_555 CA ? H CA . ? B CA 602 ? 1_555 OD1 ? B ASP 465 ? B ASP 493 ? 1_555 97.6 ? 97 OD1 ? B ASN 464 ? B ASN 492 ? 1_555 CA ? H CA . ? B CA 602 ? 1_555 OD1 ? B ASP 465 ? B ASP 493 ? 1_555 103.0 ? 98 O ? B ASP 465 ? B ASP 493 ? 1_555 CA ? H CA . ? B CA 602 ? 1_555 OD1 ? B ASP 465 ? B ASP 493 ? 1_555 73.6 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2016-10-12 # _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 ? # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 217.3549 -8.6138 90.5857 0.3709 0.3730 0.3551 -0.0557 0.0377 -0.0119 1.4920 3.6498 -0.3050 2.2729 -0.5407 -1.2382 0.1598 0.0169 0.1676 0.3863 -0.0913 0.1332 -0.0297 -0.0790 0.0002 'X-RAY DIFFRACTION' 2 ? refined 212.1871 -41.1912 121.6316 0.9167 0.3969 0.1509 -0.0294 -0.1474 0.0288 1.0047 2.3522 2.4112 -0.2368 -0.4501 -0.9723 -0.0732 -0.2416 -0.0746 1.4772 -0.0007 -0.2108 -0.3080 0.5385 0.5569 'X-RAY DIFFRACTION' 3 ? refined 176.6507 -86.5998 90.7086 0.3770 0.4109 0.6034 -0.0875 -0.1019 0.0384 1.2663 3.0114 -0.5922 2.5236 0.5238 1.7408 0.2932 0.0159 -0.3972 0.5800 -0.1424 -0.5346 0.0843 0.1052 0.0280 'X-RAY DIFFRACTION' 4 ? refined 185.6436 -55.1430 112.3337 0.6243 0.6823 0.3508 -0.2893 0.1741 -0.0434 1.2613 1.9250 1.5404 0.7784 0.1119 -0.0233 0.6967 -0.6269 -0.0827 1.3630 -0.6465 0.2029 0.1453 -0.6559 0.5189 'X-RAY DIFFRACTION' 5 ? refined 176.3148 -47.9601 132.6161 1.8521 1.6137 0.8189 -0.3125 0.7989 -0.1760 0.2667 0.3047 0.4837 -0.1533 0.1433 0.3396 -0.1381 -0.2377 0.3519 -0.0346 0.1092 0.5921 -0.3589 -0.8730 -0.9685 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 40 through 227 ) ; 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 228 through 506 ) ; 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 40 through 227 ) ; 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 228 through 462 ) ; 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 463 through 505 ) ; # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.10.1_2155: ???)' 1 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 2 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 3 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 4 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? . 5 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 OE2 _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 GLU _pdbx_validate_close_contact.auth_seq_id_1 399 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 NH1 _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 ARG _pdbx_validate_close_contact.auth_seq_id_2 401 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.19 # 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 GLN A 52 ? ? 51.45 70.47 2 1 VAL A 80 ? ? -125.94 -167.19 3 1 LEU A 170 ? ? -118.02 71.30 4 1 GLN A 179 ? ? 57.53 -134.65 5 1 ASP A 304 ? ? -58.29 -71.18 6 1 THR A 430 ? ? -61.58 -72.88 7 1 GLN A 432 ? ? -57.33 -71.67 8 1 GLN A 435 ? ? 57.12 70.93 9 1 PHE A 469 ? ? 81.20 2.10 10 1 ASN A 472 ? ? -128.38 -54.64 11 1 ASN A 473 ? ? 63.97 71.18 12 1 ARG A 475 ? ? 56.24 -136.35 13 1 VAL B 80 ? ? -126.22 -169.82 14 1 TRP B 98 ? ? -116.98 74.91 15 1 GLN B 179 ? ? 53.21 -138.46 16 1 LEU B 303 ? ? -130.71 -63.06 17 1 ASP B 325 ? ? -93.57 -63.17 18 1 ASN B 329 ? ? 33.25 62.78 19 1 GLU B 332 ? ? -130.60 -61.25 20 1 ASN B 473 ? ? 63.19 73.71 21 1 ARG B 475 ? ? 59.07 -134.66 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 GLU _pdbx_validate_peptide_omega.auth_asym_id_1 A _pdbx_validate_peptide_omega.auth_seq_id_1 405 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 SER _pdbx_validate_peptide_omega.auth_asym_id_2 A _pdbx_validate_peptide_omega.auth_seq_id_2 406 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega 145.40 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 818 ? 6.17 . 2 1 O ? A HOH 819 ? 6.55 . 3 1 O ? A HOH 820 ? 6.83 . 4 1 O ? A HOH 821 ? 7.72 . 5 1 O ? B HOH 777 ? 6.08 . 6 1 O ? B HOH 778 ? 7.06 . 7 1 O ? B HOH 779 ? 7.30 . 8 1 O ? B HOH 780 ? 7.96 . 9 1 O ? B HOH 781 ? 8.84 . # 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 A ARG 29 ? A ARG 1 2 1 Y 1 A SER 30 ? A SER 2 3 1 Y 1 A GLY 31 ? A GLY 3 4 1 Y 1 A ALA 32 ? A ALA 4 5 1 Y 1 A PRO 33 ? A PRO 5 6 1 Y 1 A GLY 34 ? A GLY 6 7 1 Y 1 A ASP 35 ? A ASP 7 8 1 Y 1 A ALA 36 ? A ALA 8 9 1 Y 1 A ALA 37 ? A ALA 9 10 1 Y 1 A LEU 38 ? A LEU 10 11 1 Y 1 A PRO 39 ? A PRO 11 12 1 Y 1 A LEU 147 ? A LEU 119 13 1 Y 1 A GLU 148 ? A GLU 120 14 1 Y 1 A ARG 149 ? A ARG 121 15 1 Y 1 A GLY 150 ? A GLY 122 16 1 Y 1 A ASP 151 ? A ASP 123 17 1 Y 1 A GLN 152 ? A GLN 124 18 1 Y 1 A THR 153 ? A THR 125 19 1 Y 1 A ARG 154 ? A ARG 126 20 1 Y 1 A SER 155 ? A SER 127 21 1 Y 1 A THR 366 ? A THR 338 22 1 Y 1 A ALA 367 ? A ALA 339 23 1 Y 1 A GLU 368 ? A GLU 340 24 1 Y 1 A PRO 369 ? A PRO 341 25 1 Y 1 A THR 370 ? A THR 342 26 1 Y 1 A PRO 371 ? A PRO 343 27 1 Y 1 A PRO 372 ? A PRO 344 28 1 Y 1 A ASP 373 ? A ASP 345 29 1 Y 1 A ARG 374 ? A ARG 346 30 1 Y 1 A TRP 375 ? A TRP 347 31 1 Y 1 A ALA 376 ? A ALA 348 32 1 Y 1 A ASN 377 ? A ASN 349 33 1 Y 1 A VAL 378 ? A VAL 350 34 1 Y 1 A LYS 379 ? A LYS 351 35 1 Y 1 A VAL 380 ? A VAL 352 36 1 Y 1 A GLU 381 ? A GLU 353 37 1 Y 1 A CYS 382 ? A CYS 354 38 1 Y 1 A GLU 383 ? A GLU 355 39 1 Y 1 A PRO 384 ? A PRO 356 40 1 Y 1 A SER 385 ? A SER 357 41 1 Y 1 A TRP 386 ? A TRP 358 42 1 Y 1 A GLN 387 ? A GLN 359 43 1 Y 1 A PRO 388 ? A PRO 360 44 1 Y 1 A PHE 389 ? A PHE 361 45 1 Y 1 A GLN 390 ? A GLN 362 46 1 Y 1 A GLY 391 ? A GLY 363 47 1 Y 1 A HIS 392 ? A HIS 364 48 1 Y 1 A CYS 393 ? A CYS 365 49 1 Y 1 A TYR 394 ? A TYR 366 50 1 Y 1 A VAL 437 ? A VAL 409 51 1 Y 1 A ALA 507 ? A ALA 479 52 1 Y 1 A GLY 508 ? A GLY 480 53 1 Y 1 A GLN 509 ? A GLN 481 54 1 Y 1 A LEU 510 ? A LEU 482 55 1 Y 1 A THR 511 ? A THR 483 56 1 Y 1 A ARG 512 ? A ARG 484 57 1 Y 1 A THR 513 ? A THR 485 58 1 Y 1 A GLY 514 ? A GLY 486 59 1 Y 1 A HIS 515 ? A HIS 487 60 1 Y 1 A HIS 516 ? A HIS 488 61 1 Y 1 A HIS 517 ? A HIS 489 62 1 Y 1 A HIS 518 ? A HIS 490 63 1 Y 1 A HIS 519 ? A HIS 491 64 1 Y 1 A HIS 520 ? A HIS 492 65 1 Y 1 B ARG 29 ? B ARG 1 66 1 Y 1 B SER 30 ? B SER 2 67 1 Y 1 B GLY 31 ? B GLY 3 68 1 Y 1 B ALA 32 ? B ALA 4 69 1 Y 1 B PRO 33 ? B PRO 5 70 1 Y 1 B GLY 34 ? B GLY 6 71 1 Y 1 B ASP 35 ? B ASP 7 72 1 Y 1 B ALA 36 ? B ALA 8 73 1 Y 1 B ALA 37 ? B ALA 9 74 1 Y 1 B LEU 38 ? B LEU 10 75 1 Y 1 B PRO 39 ? B PRO 11 76 1 Y 1 B THR 153 ? B THR 125 77 1 Y 1 B ARG 154 ? B ARG 126 78 1 Y 1 B SER 155 ? B SER 127 79 1 Y 1 B THR 366 ? B THR 338 80 1 Y 1 B ALA 367 ? B ALA 339 81 1 Y 1 B GLU 368 ? B GLU 340 82 1 Y 1 B PRO 369 ? B PRO 341 83 1 Y 1 B THR 370 ? B THR 342 84 1 Y 1 B PRO 371 ? B PRO 343 85 1 Y 1 B PRO 372 ? B PRO 344 86 1 Y 1 B ASP 373 ? B ASP 345 87 1 Y 1 B ARG 374 ? B ARG 346 88 1 Y 1 B TRP 375 ? B TRP 347 89 1 Y 1 B ALA 376 ? B ALA 348 90 1 Y 1 B ASN 377 ? B ASN 349 91 1 Y 1 B VAL 378 ? B VAL 350 92 1 Y 1 B LYS 379 ? B LYS 351 93 1 Y 1 B VAL 380 ? B VAL 352 94 1 Y 1 B GLU 381 ? B GLU 353 95 1 Y 1 B CYS 382 ? B CYS 354 96 1 Y 1 B GLU 383 ? B GLU 355 97 1 Y 1 B PRO 384 ? B PRO 356 98 1 Y 1 B SER 385 ? B SER 357 99 1 Y 1 B TRP 386 ? B TRP 358 100 1 Y 1 B GLN 387 ? B GLN 359 101 1 Y 1 B PRO 388 ? B PRO 360 102 1 Y 1 B PHE 389 ? B PHE 361 103 1 Y 1 B GLN 390 ? B GLN 362 104 1 Y 1 B GLY 391 ? B GLY 363 105 1 Y 1 B HIS 392 ? B HIS 364 106 1 Y 1 B CYS 393 ? B CYS 365 107 1 Y 1 B TYR 394 ? B TYR 366 108 1 Y 1 B ARG 395 ? B ARG 367 109 1 Y 1 B LEU 396 ? B LEU 368 110 1 Y 1 B GLN 397 ? B GLN 369 111 1 Y 1 B ALA 398 ? B ALA 370 112 1 Y 1 B GLU 399 ? B GLU 371 113 1 Y 1 B LYS 400 ? B LYS 372 114 1 Y 1 B ARG 401 ? B ARG 373 115 1 Y 1 B SER 402 ? B SER 374 116 1 Y 1 B TRP 403 ? B TRP 375 117 1 Y 1 B GLN 404 ? B GLN 376 118 1 Y 1 B GLU 405 ? B GLU 377 119 1 Y 1 B SER 406 ? B SER 378 120 1 Y 1 B LYS 407 ? B LYS 379 121 1 Y 1 B LYS 408 ? B LYS 380 122 1 Y 1 B ALA 409 ? B ALA 381 123 1 Y 1 B CYS 410 ? B CYS 382 124 1 Y 1 B LEU 411 ? B LEU 383 125 1 Y 1 B ARG 412 ? B ARG 384 126 1 Y 1 B GLY 413 ? B GLY 385 127 1 Y 1 B GLY 414 ? B GLY 386 128 1 Y 1 B GLY 415 ? B GLY 387 129 1 Y 1 B ASP 416 ? B ASP 388 130 1 Y 1 B LEU 417 ? B LEU 389 131 1 Y 1 B VAL 418 ? B VAL 390 132 1 Y 1 B SER 419 ? B SER 391 133 1 Y 1 B ILE 420 ? B ILE 392 134 1 Y 1 B HIS 421 ? B HIS 393 135 1 Y 1 B SER 422 ? B SER 394 136 1 Y 1 B MET 423 ? B MET 395 137 1 Y 1 B ALA 424 ? B ALA 396 138 1 Y 1 B GLU 425 ? B GLU 397 139 1 Y 1 B LEU 426 ? B LEU 398 140 1 Y 1 B GLU 427 ? B GLU 399 141 1 Y 1 B PHE 428 ? B PHE 400 142 1 Y 1 B ILE 429 ? B ILE 401 143 1 Y 1 B THR 430 ? B THR 402 144 1 Y 1 B LYS 431 ? B LYS 403 145 1 Y 1 B GLN 432 ? B GLN 404 146 1 Y 1 B ILE 433 ? B ILE 405 147 1 Y 1 B LYS 434 ? B LYS 406 148 1 Y 1 B GLN 435 ? B GLN 407 149 1 Y 1 B GLU 436 ? B GLU 408 150 1 Y 1 B VAL 437 ? B VAL 409 151 1 Y 1 B GLU 438 ? B GLU 410 152 1 Y 1 B GLU 439 ? B GLU 411 153 1 Y 1 B LEU 440 ? B LEU 412 154 1 Y 1 B TRP 441 ? B TRP 413 155 1 Y 1 B GLY 489 ? B GLY 461 156 1 Y 1 B LYS 506 ? B LYS 478 157 1 Y 1 B ALA 507 ? B ALA 479 158 1 Y 1 B GLY 508 ? B GLY 480 159 1 Y 1 B GLN 509 ? B GLN 481 160 1 Y 1 B LEU 510 ? B LEU 482 161 1 Y 1 B THR 511 ? B THR 483 162 1 Y 1 B ARG 512 ? B ARG 484 163 1 Y 1 B THR 513 ? B THR 485 164 1 Y 1 B GLY 514 ? B GLY 486 165 1 Y 1 B HIS 515 ? B HIS 487 166 1 Y 1 B HIS 516 ? B HIS 488 167 1 Y 1 B HIS 517 ? B HIS 489 168 1 Y 1 B HIS 518 ? B HIS 490 169 1 Y 1 B HIS 519 ? B HIS 491 170 1 Y 1 B HIS 520 ? B HIS 492 # _pdbx_audit_support.funding_organization 'Natural Science Foundation Of China' _pdbx_audit_support.country China _pdbx_audit_support.grant_number 31570745 _pdbx_audit_support.ordinal 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CALCIUM ION' CA 3 N-ACETYL-D-GLUCOSAMINE NAG 4 water HOH #