data_1vrv_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1vrv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 375' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 121.068 0.461 . . . . 2.7999999999999998 110.543 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.97 127.28 55.82 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.732 -0.667 . . . . 4.1600000000000001 111.876 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 67.7 t -67.27 112.06 2.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 N-CA-C 109.911 -0.404 . . . . 1.3799999999999999 109.911 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.23 -3.04 0.96 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 120.511 -0.475 . . . . 4.3399999999999999 111.122 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -112.58 122.36 47.45 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.725 0.774 . . . . 2.96 111.95 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 65.5 mt -125.05 126.75 71.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-N 114.505 -1.225 . . . . 1.2 109.281 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' ILE . . . . . . . . . . . . . 17.3 tt -134.87 137.22 51.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.54 -0.754 . . . . 1.1899999999999999 110.12 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 74.7 t -105.22 133.03 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.203 -0.666 . . . . 1.1799999999999999 109.203 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -125.2 157.12 37.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.37 0.605 . . . . 1.02 112.003 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' SEP . . . . . 0.565 ' OG ' ' N ' ' A' ' 387' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 385' ' ' ASP . 58.2 t0 -53.16 -58.83 5.68 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.979 0.418 . . . . 2.0699999999999998 110.814 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' ALA . . . . . . . . . . . . . . . -101.46 -18.04 16.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 1.02 110.581 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' GLY . . . . . 0.565 ' N ' ' OG ' ' A' ' 384' ' ' SEP . . . 62.65 32.46 83.52 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.392 -1.083 . . . . 0.080000000000000002 110.392 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' MET . . . . . 0.472 ' N ' ' O2P' ' A' ' 384' ' ' SEP . 41.1 mtp -136.15 10.81 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.351 -0.54 . . . . 3.2400000000000002 111.502 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' GLY . . . . . . . . . . . . . . . -130.69 -102.51 0.95 Allowed Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.993 -0.843 . . . . 0.080000000000000002 110.993 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 83.8 p -50.87 -34.75 29.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.652 0.263 . . . . 0.63 111.552 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 77.4 p -57.99 -32.57 68.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.401 -0.363 . . . . 1.6499999999999999 111.122 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.35 85.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 1.02 111.661 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' MET . . . . . . . . . . . . . 34.6 mtp -72.52 -49.16 34.81 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.647 -0.421 . . . . 2.5 111.12 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -51.32 -47.46 50.39 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.543 -1.023 . . . . 0.25 110.543 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.9 83.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.218 0.451 . . . . 1.1100000000000001 112.218 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' GLY . . . . . . . . . . . . . . . -60.0 -49.28 80.3 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.228 -0.511 . . . . 0.28999999999999998 112.328 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.08 -49.18 84.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.766 -0.374 . . . . 1.05 111.291 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' LEU . . . . . . . . . . . . . 27.1 mt -60.55 -44.19 96.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.579 0.704 . . . . 1.1000000000000001 109.971 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -57.03 -46.36 82.43 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.651 -1.159 . . . . 3.6099999999999999 111.04 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -61.65 -44.97 95.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 2.4100000000000001 111.29 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -62.21 -41.91 98.81 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.329 -0.549 . . . . 1.98 110.694 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.65 -44.73 99.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.868 -0.605 . . . . 1.22 110.912 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -65.26 -39.62 92.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.894 -0.593 . . . . 2.8300000000000001 110.172 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -37.2 83.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 1.74 110.423 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' ALA . . . . . . . . . . . . . . . -73.15 0.7 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 1.05 111.557 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 75.07 22.8 75.97 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.571 -0.823 . . . . 0.23000000000000001 111.485 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 42.6 mt -98.3 61.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.629 -0.428 . . . . 1.0900000000000001 110.273 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 24.1 p -61.05 -15.55 33.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 1.9199999999999999 110.324 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -75.95 -22.2 56.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.367 -0.379 . . . . 2.75 111.039 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 88.4 mt -87.94 134.02 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.513 -0.475 . . . . 1.0600000000000001 109.917 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 2.1 t -108.52 145.89 34.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 1.98 110.548 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . . . . . . . . . 12.9 t -131.39 128.98 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.409 0.623 . . . . 1.9199999999999999 112.308 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' THR . . . . . . . . . . . . . 7.4 p -147.69 172.78 13.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.862 -1.063 . . . . 1.0900000000000001 110.31 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -136.24 152.22 50.51 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.89 -0.411 . . . . 1.48 109.89 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.698 ' HG ' ' N ' ' A' ' 416' ' ' ALA . 0.0 OUTLIER -166.1 165.3 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.176 -0.465 . . . . 1.8899999999999999 110.058 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.698 ' N ' ' HG ' ' A' ' 415' ' ' SER . . . -64.75 153.92 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.284 -0.416 . . . . 1.0600000000000001 110.428 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.07 -42.14 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.755 -0.461 . . . . 1.1000000000000001 109.755 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -54.67 -19.23 5.71 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.653 -0.419 . . . . 2.77 109.888 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -121.22 97.91 5.74 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.538 -0.301 . . . . 2.5299999999999998 111.405 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . 0.401 ' HB2' ' OE1' ' A' ' 440' ' ' GLN . 95.9 mt -139.75 112.8 7.69 Favored Pre-proline 0 N--CA 1.464 0.251 0 N-CA-C 109.038 -0.727 . . . . 1.1899999999999999 109.038 175.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -60.0 136.85 72.19 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.043 1.162 . . . . 1.27 111.318 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.83 -17.79 57.22 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.677 1.585 . . . . 1.1100000000000001 112.458 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 423' ' ' ASP . 1.5 m-20 -81.79 -4.99 57.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.264 -0.574 . . . . 2.3300000000000001 111.706 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.54 138.07 23.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 C-N-CA 120.652 -0.419 . . . . 1.0700000000000001 110.509 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -94.25 -40.59 9.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 1.6200000000000001 111.029 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' LEU . . . . . . . . . . . . . 40.6 mt -123.99 132.93 53.77 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.037 0.446 . . . . 1.3400000000000001 111.164 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' VAL . . . . . . . . . . . . . 53.7 t -123.22 128.31 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.536 -0.757 . . . . 1.0700000000000001 109.334 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 84.0 mt -120.41 116.84 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.47 -0.332 . . . . 1.0700000000000001 110.441 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 1.8 p -142.78 171.78 13.58 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.596 -0.442 . . . . 1.3100000000000001 110.668 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . 0.816 ' HD1' ' H ' ' A' ' 432' ' ' ASP . 63.8 t-80 -73.25 136.93 44.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.916 -0.584 . . . . 0.47999999999999998 109.463 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -43.97 -33.57 1.44 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.891 -0.595 . . . . 3.52 111.966 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . 0.816 ' H ' ' HD1' ' A' ' 430' ' ' HIS . 6.2 m-20 -65.26 -22.52 66.87 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.941 -0.704 . . . . 2.0499999999999998 111.033 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 24.2 mt -119.85 2.32 11.05 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.635 -0.426 . . . . 1.1000000000000001 111.881 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 3.0 p -62.93 -33.21 74.87 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.245 -0.582 . . . . 1.04 110.777 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.63 -44.21 85.39 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.509 -0.476 . . . . 2.77 109.905 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -61.04 -47.99 83.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.831 -0.622 . . . . 3.3900000000000001 111.676 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.27 96.95 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.412 -0.515 . . . . 1.0600000000000001 110.675 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' MET . . . . . 0.577 ' O ' ' N ' ' A' ' 442' ' ' PRO . 44.4 mtt -56.21 -40.04 73.42 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.696 0.76 . . . . 1.74 108.955 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -46.31 83.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.651 -1.159 . . . . 4.4800000000000004 111.896 -175.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' GLN . . . . . 0.401 ' OE1' ' HB2' ' A' ' 420' ' ' LEU . 55.4 tt0 -61.1 -43.3 99.09 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.22 -1.03 . . . . 1.77 108.22 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.44 ' O ' ' NE2' ' A' ' 446' ' ' HIS . 2.1 m -140.86 86.6 11.67 Favored Pre-proline 0 N--CA 1.447 -0.595 0 CA-C-N 115.443 -0.799 . . . . 1.1299999999999999 109.087 176.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . 0.577 ' N ' ' O ' ' A' ' 438' ' ' MET . 40.0 Cg_endo -78.14 -6.18 15.57 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.163 1.909 . . . . 0.37 109.575 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -89.99 -9.51 48.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.851 -1.068 . . . . 2.4700000000000002 109.857 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -88.5 169.59 11.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.712 -0.677 . . . . 1.03 110.521 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -93.66 125.77 38.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.148 -0.478 . . . . 2.8199999999999998 109.748 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 441' ' ' VAL . 97.8 m-70 -118.55 137.47 53.21 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.618 -0.719 . . . . 0.25 110.91 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 48.2 mm -123.0 128.52 75.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.211 -1.033 . . . . 1.0600000000000001 108.211 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 5.5 p -101.73 139.67 37.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.332 0.587 . . . . 1.73 111.737 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 82.6 mt -104.96 167.0 10.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.115 -0.948 . . . . 1.1000000000000001 109.23 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 18.6 p -117.26 -39.93 3.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 1.55 110.181 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -134.93 153.32 52.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.309 0.576 . . . . 2.2400000000000002 110.68 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -62.9 -38.55 91.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.169 -0.923 . . . . 0.68000000000000005 112.242 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 455' ' ' SER . 46.5 mt -107.96 20.95 18.08 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.272 -0.571 . . . . 1.2 111.23 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -62.04 79.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.583 -0.447 . . . . 1.98 110.315 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 453' ' ' LEU . 66.5 p -59.46 -35.33 73.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 1.8799999999999999 111.92 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -60.2 -48.48 85.91 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.048 -0.821 . . . . 0.32000000000000001 111.048 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.0 -45.42 92.49 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.262 -0.575 . . . . 1.1100000000000001 110.587 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.0 -45.12 91.45 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.575 -0.45 . . . . 1.1100000000000001 110.788 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 97.9 m -61.63 -46.39 90.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.598 -0.441 . . . . 1.0900000000000001 110.755 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' SER . . . . . . . . . . . . . 41.1 m -60.47 -45.06 95.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.84 0.352 . . . . 1.8700000000000001 111.321 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.17 -42.13 98.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.207 -0.451 . . . . 1.3300000000000001 110.555 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 33.4 m -61.37 -47.64 84.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.912 -0.586 . . . . 1.1100000000000001 111.425 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.07 -39.52 78.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.261 0.553 . . . . 2.0 109.631 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -64.23 -45.94 86.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.339 -0.846 . . . . 4.0999999999999996 112.286 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.62 -40.11 96.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.99 -0.55 . . . . 1.0700000000000001 109.585 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.07 -45.64 95.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.19 -0.67 . . . . 1.05 109.19 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.32 95.66 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.113 -0.494 . . . . 1.05 110.395 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 471' ' ' HIS . . . -71.55 -25.48 62.24 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.577 -0.283 . . . . 1.0900000000000001 111.206 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -67.49 -48.58 66.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.416 . . . . 2.0600000000000001 110.642 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -64.92 -62.78 1.35 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 121.931 0.872 . . . . 4.4199999999999999 108.65 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' HIS . . . . . 0.574 ' O ' ' O ' ' A' ' 468' ' ' ALA . 2.1 m170 . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 105.852 -1.907 . . . . 4.1799999999999997 105.852 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 375' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 121.068 0.461 . . . . 2.4900000000000002 110.543 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.97 127.28 55.82 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.732 -0.667 . . . . 3.25 111.876 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 67.7 t -67.27 112.06 2.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 N-CA-C 109.911 -0.404 . . . . 0.77000000000000002 109.911 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.23 -3.04 0.96 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 120.511 -0.475 . . . . 3.7400000000000002 111.122 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -112.58 122.36 47.45 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.725 0.774 . . . . 2.52 111.95 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 65.5 mt -125.05 126.75 71.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-N 114.505 -1.225 . . . . 0.46000000000000002 109.281 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' ILE . . . . . 0.456 HG22 HG21 ' A' ' 424' ' ' VAL . 17.3 tt -134.87 137.22 51.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.54 -0.754 . . . . 0.42999999999999999 110.12 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 382' ' ' VAL . . . . . 0.43 HG22 ' HB ' ' A' ' 428' ' ' ILE . 74.7 t -105.22 133.03 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.203 -0.666 . . . . 0.46999999999999997 109.203 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 383' ' ' ALA . . . . . 0.464 ' HB2' HD21 ' A' ' 420' ' ' LEU . . . -125.2 157.12 37.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.37 0.605 . . . . 0.050000000000000003 112.003 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 384' ' ' SEP . . . . . 0.535 ' OG ' ' N ' ' A' ' 387' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 385' ' ' ASP . 58.2 t0 -53.16 -58.83 5.68 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.979 0.418 . . . . 2.0699999999999998 110.814 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 386' ' ' ALA . . . . . . . . . . . . . . . -101.46 -18.04 16.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.070000000000000007 110.581 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' GLY . . . . . 0.535 ' N ' ' OG ' ' A' ' 384' ' ' SEP . . . 62.65 32.46 83.52 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.392 -1.083 . . . . 0.080000000000000002 110.392 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 388' ' ' MET . . . . . 0.472 ' N ' ' O2P' ' A' ' 384' ' ' SEP . 41.1 mtp -136.15 10.81 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.351 -0.54 . . . . 2.8199999999999998 111.502 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 389' ' ' GLY . . . . . . . . . . . . . . . -130.69 -102.51 0.95 Allowed Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.993 -0.843 . . . . 0.080000000000000002 110.993 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 83.8 p -50.87 -34.75 29.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.652 0.263 . . . . 0.089999999999999997 111.552 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 77.4 p -57.99 -32.57 68.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.401 -0.363 . . . . 1.1699999999999999 111.122 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.35 85.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.070000000000000007 111.661 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' MET . . . . . . . . . . . . . 34.6 mtp -72.52 -49.16 34.81 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.647 -0.421 . . . . 2.0 111.12 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -51.32 -47.46 50.39 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.543 -1.023 . . . . 0.23000000000000001 110.543 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.9 83.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.218 0.451 . . . . 0.35999999999999999 112.218 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' GLY . . . . . . . . . . . . . . . -60.0 -49.28 80.3 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.228 -0.511 . . . . 0.25 112.328 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.08 -49.18 84.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.766 -0.374 . . . . 0.19 111.291 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' LEU . . . . . . . . . . . . . 27.1 mt -60.55 -44.19 96.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.579 0.704 . . . . 0.35999999999999999 109.971 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' ARG . . . . . 0.544 ' HB2' HG11 ' A' ' 412' ' ' VAL . 75.7 ttt180 -57.03 -46.36 82.43 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.651 -1.159 . . . . 3.0299999999999998 111.04 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 400' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -61.65 -44.97 95.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 1.96 111.29 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -62.21 -41.91 98.81 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.329 -0.549 . . . . 1.4199999999999999 110.694 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.549 HD12 HG21 ' A' ' 412' ' ' VAL . 89.0 mt -62.65 -44.73 99.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.868 -0.605 . . . . 0.58999999999999997 110.912 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -65.26 -39.62 92.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.894 -0.593 . . . . 2.25 110.172 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -37.2 83.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 1.74 110.423 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' ALA . . . . . . . . . . . . . . . -73.15 0.7 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.22 111.557 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 75.07 22.8 75.97 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.571 -0.823 . . . . 0.20999999999999999 111.485 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 42.6 mt -98.3 61.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.629 -0.428 . . . . 0.32000000000000001 110.273 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 24.1 p -61.05 -15.55 33.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 1.3300000000000001 110.324 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -75.95 -22.2 56.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.367 -0.379 . . . . 2.21 111.039 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 88.4 mt -87.94 134.02 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.513 -0.475 . . . . 0.27000000000000002 109.917 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 2.1 t -108.52 145.89 34.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 1.4299999999999999 110.548 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.549 HG21 HD12 ' A' ' 402' ' ' ILE . 12.9 t -131.39 128.98 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.409 0.623 . . . . 1.3300000000000001 112.308 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' THR . . . . . . . . . . . . . 7.4 p -147.69 172.78 13.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.862 -1.063 . . . . 0.32000000000000001 110.31 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -136.24 152.22 50.51 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.89 -0.411 . . . . 1.3300000000000001 109.89 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.1 165.3 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.176 -0.465 . . . . 1.3799999999999999 110.058 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -64.75 153.92 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.284 -0.416 . . . . 0.23000000000000001 110.428 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.07 -42.14 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.755 -0.461 . . . . 0.37 109.755 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -54.67 -19.23 5.71 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.653 -0.419 . . . . 2.02 109.888 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -121.22 97.91 5.74 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.538 -0.301 . . . . 2.0 111.405 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 383' ' ' ALA . 95.9 mt -139.75 112.8 7.69 Favored Pre-proline 0 N--CA 1.464 0.251 0 N-CA-C 109.038 -0.727 . . . . 0.63 109.038 175.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -60.0 136.85 72.19 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.043 1.162 . . . . 0.77000000000000002 111.318 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.83 -17.79 57.22 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.677 1.585 . . . . 0.67000000000000004 112.458 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 423' ' ' ASP . 1.5 m-20 -81.79 -4.99 57.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.264 -0.574 . . . . 2.3300000000000001 111.706 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' VAL . . . . . 0.456 HG21 HG22 ' A' ' 381' ' ' ILE . 8.0 p -63.54 138.07 23.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 C-N-CA 120.652 -0.419 . . . . 0.28000000000000003 110.509 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -94.25 -40.59 9.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 1.6200000000000001 111.029 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' LEU . . . . . . . . . . . . . 40.6 mt -123.99 132.93 53.77 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.037 0.446 . . . . 0.59999999999999998 111.164 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' VAL . . . . . . . . . . . . . 53.7 t -123.22 128.31 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.536 -0.757 . . . . 0.26000000000000001 109.334 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.43 ' HB ' HG22 ' A' ' 382' ' ' VAL . 84.0 mt -120.41 116.84 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.47 -0.332 . . . . 0.20999999999999999 110.441 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 1.8 p -142.78 171.78 13.58 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.596 -0.442 . . . . 0.70999999999999996 110.668 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -73.25 136.93 44.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.916 -0.584 . . . . 0.34999999999999998 109.463 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -43.97 -33.57 1.44 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.891 -0.595 . . . . 2.96 111.966 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.26 -22.52 66.87 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.941 -0.704 . . . . 2.0499999999999998 111.033 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 24.2 mt -119.85 2.32 11.05 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.635 -0.426 . . . . 0.34999999999999998 111.881 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' THR . . . . . 0.417 HG21 ' CB ' ' A' ' 448' ' ' SER . 3.0 p -62.93 -33.21 74.87 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.245 -0.582 . . . . 0.20999999999999999 110.777 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.63 -44.21 85.39 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.509 -0.476 . . . . 2.77 109.905 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -61.04 -47.99 83.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.831 -0.622 . . . . 2.9199999999999999 111.676 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.27 96.95 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.412 -0.515 . . . . 0.22 110.675 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' MET . . . . . 0.577 ' O ' ' N ' ' A' ' 442' ' ' PRO . 44.4 mtt -56.21 -40.04 73.42 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.696 0.76 . . . . 1.0800000000000001 108.955 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -46.31 83.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.651 -1.159 . . . . 3.8300000000000001 111.896 -175.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' GLN . . . . . 0.447 ' OE1' HD12 ' A' ' 420' ' ' LEU . 55.4 tt0 -61.1 -43.3 99.09 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.22 -1.03 . . . . 1.3100000000000001 108.22 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 2.1 m -140.86 86.6 11.67 Favored Pre-proline 0 N--CA 1.447 -0.595 0 CA-C-N 115.443 -0.799 . . . . 0.33000000000000002 109.087 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' PRO . . . . . 0.577 ' N ' ' O ' ' A' ' 438' ' ' MET . 40.0 Cg_endo -78.14 -6.18 15.57 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.163 1.909 . . . . 0.33000000000000002 109.575 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -89.99 -9.51 48.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.851 -1.068 . . . . 1.8500000000000001 109.857 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -88.5 169.59 11.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.712 -0.677 . . . . 0.23999999999999999 110.521 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -93.66 125.77 38.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.148 -0.478 . . . . 2.2599999999999998 109.748 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 438' ' ' MET . 97.8 m-70 -118.55 137.47 53.21 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.618 -0.719 . . . . 0.20999999999999999 110.91 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 48.2 mm -123.0 128.52 75.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.211 -1.033 . . . . 0.25 108.211 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' SER . . . . . 0.417 ' CB ' HG21 ' A' ' 434' ' ' THR . 5.5 p -101.73 139.67 37.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.332 0.587 . . . . 1.26 111.737 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 82.6 mt -104.96 167.0 10.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.115 -0.948 . . . . 0.44 109.23 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 18.6 p -117.26 -39.93 3.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.93999999999999995 110.181 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -134.93 153.32 52.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.309 0.576 . . . . 1.76 110.68 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -62.9 -38.55 91.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.169 -0.923 . . . . 0.60999999999999999 112.242 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 455' ' ' SER . 46.5 mt -107.96 20.95 18.08 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.272 -0.571 . . . . 0.53000000000000003 111.23 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -62.04 79.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.583 -0.447 . . . . 1.98 110.315 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 453' ' ' LEU . 66.5 p -59.46 -35.33 73.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 1.3400000000000001 111.92 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -60.2 -48.48 85.91 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.048 -0.821 . . . . 0.28999999999999998 111.048 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 457' ' ' LEU . 74.5 mt -63.0 -45.42 92.49 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.262 -0.575 . . . . 0.39000000000000001 110.587 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.0 -45.12 91.45 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.575 -0.45 . . . . 0.69999999999999996 110.788 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 97.9 m -61.63 -46.39 90.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.598 -0.441 . . . . 0.29999999999999999 110.755 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' SER . . . . . . . . . . . . . 41.1 m -60.47 -45.06 95.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.84 0.352 . . . . 1.3300000000000001 111.321 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.17 -42.13 98.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.77000000000000002 110.555 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 33.4 m -61.37 -47.64 84.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.912 -0.586 . . . . 0.40000000000000002 111.425 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.07 -39.52 78.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.261 0.553 . . . . 2.0 109.631 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -64.23 -45.94 86.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.339 -0.846 . . . . 3.5499999999999998 112.286 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.62 -40.11 96.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.99 -0.55 . . . . 0.28999999999999998 109.585 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.07 -45.64 95.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.19 -0.67 . . . . 0.20000000000000001 109.19 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.32 95.66 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.25 110.395 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 471' ' ' HIS . . . -71.55 -25.48 62.24 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.577 -0.283 . . . . 0.33000000000000002 111.206 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -67.49 -48.58 66.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.416 . . . . 1.6299999999999999 110.642 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -64.92 -62.78 1.35 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 121.931 0.872 . . . . 3.8199999999999998 108.65 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' HIS . . . . . 0.574 ' O ' ' O ' ' A' ' 468' ' ' ALA . 2.1 m170 . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 105.852 -1.907 . . . . 3.2599999999999998 105.852 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 121.068 0.461 . . . . 2.49 110.543 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.97 127.28 55.82 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.732 -0.667 . . . . 3.25 111.876 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 67.7 t -67.27 112.06 2.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 N-CA-C 109.911 -0.404 . . . . 0.77 109.911 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.23 -3.04 0.96 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 120.511 -0.475 . . . . 3.74 111.122 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -112.58 122.36 47.45 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.725 0.774 . . . . 2.52 111.95 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 65.5 mt -125.05 126.75 71.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-N 114.505 -1.225 . . . . 0.46 109.281 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' ILE . . . . . 0.456 HG22 HG21 ' A' ' 424' ' ' VAL . 17.3 tt -134.87 137.22 51.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.54 -0.754 . . . . 0.43 110.12 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . 0.43 HG22 ' HB ' ' A' ' 428' ' ' ILE . 74.7 t -105.22 133.03 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.203 -0.666 . . . . 0.47 109.203 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . 0.464 ' HB2' HD21 ' A' ' 420' ' ' LEU . . . -125.2 157.12 37.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.37 0.605 . . . . 0.05 112.003 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' SEP . . . . . 0.535 ' OG ' ' N ' ' A' ' 387' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 385' ' ' ASP . 58.2 t0 -53.16 -58.83 5.68 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.979 0.418 . . . . 2.07 110.814 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' ALA . . . . . . . . . . . . . . . -101.46 -18.04 16.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.07 110.581 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' GLY . . . . . 0.535 ' N ' ' OG ' ' A' ' 384' ' ' SEP . . . 62.65 32.46 83.52 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.392 -1.083 . . . . 0.08 110.392 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' MET . . . . . 0.472 ' N ' ' O2P' ' A' ' 384' ' ' SEP . 41.1 mtp -136.15 10.81 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.351 -0.54 . . . . 2.82 111.502 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' GLY . . . . . . . . . . . . . . . -130.69 -102.51 0.95 Allowed Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.993 -0.843 . . . . 0.08 110.993 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 83.8 p -50.87 -34.75 29.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.652 0.263 . . . . 0.09 111.552 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 77.4 p -57.99 -32.57 68.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.401 -0.363 . . . . 1.17 111.122 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.35 85.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.07 111.661 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' MET . . . . . . . . . . . . . 34.6 mtp -72.52 -49.16 34.81 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.647 -0.421 . . . . 2.0 111.12 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -51.32 -47.46 50.39 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.543 -1.023 . . . . 0.23 110.543 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.9 83.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.218 0.451 . . . . 0.36 112.218 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' GLY . . . . . . . . . . . . . . . -60.0 -49.28 80.3 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.228 -0.511 . . . . 0.25 112.328 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.08 -49.18 84.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.766 -0.374 . . . . 0.19 111.291 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' LEU . . . . . . . . . . . . . 27.1 mt -60.55 -44.19 96.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.579 0.704 . . . . 0.36 109.971 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' ARG . . . . . 0.544 ' HB2' HG11 ' A' ' 412' ' ' VAL . 75.7 ttt180 -57.03 -46.36 82.43 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.651 -1.159 . . . . 3.03 111.04 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -61.65 -44.97 95.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 1.96 111.29 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -62.21 -41.91 98.81 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.329 -0.549 . . . . 1.42 110.694 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.549 HD12 HG21 ' A' ' 412' ' ' VAL . 89.0 mt -62.65 -44.73 99.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.868 -0.605 . . . . 0.59 110.912 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -65.26 -39.62 92.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.894 -0.593 . . . . 2.25 110.172 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -37.2 83.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 1.74 110.423 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' ALA . . . . . . . . . . . . . . . -73.15 0.7 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.22 111.557 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 75.07 22.8 75.97 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.571 -0.823 . . . . 0.21 111.485 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 42.6 mt -98.3 61.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.629 -0.428 . . . . 0.32 110.273 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 24.1 p -61.05 -15.55 33.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 1.33 110.324 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -75.95 -22.2 56.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.367 -0.379 . . . . 2.21 111.039 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 88.4 mt -87.94 134.02 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.513 -0.475 . . . . 0.27 109.917 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 2.1 t -108.52 145.89 34.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 1.43 110.548 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.549 HG21 HD12 ' A' ' 402' ' ' ILE . 12.9 t -131.39 128.98 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.409 0.623 . . . . 1.33 112.308 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' THR . . . . . . . . . . . . . 7.4 p -147.69 172.78 13.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.862 -1.063 . . . . 0.32 110.31 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -136.24 152.22 50.51 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.89 -0.411 . . . . 1.33 109.89 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.1 165.3 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.176 -0.465 . . . . 1.38 110.058 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -64.75 153.92 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.284 -0.416 . . . . 0.23 110.428 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.07 -42.14 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.755 -0.461 . . . . 0.37 109.755 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' ASN . . . . . 0.42 HD22 ' HA ' ' A' ' 418' ' ' ASN . 1.3 m120 -54.67 -19.23 5.71 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.653 -0.419 . . . . 2.02 109.888 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -121.22 97.91 5.74 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.538 -0.301 . . . . 2.0 111.405 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 383' ' ' ALA . 95.9 mt -139.75 112.8 7.69 Favored Pre-proline 0 N--CA 1.464 0.251 0 N-CA-C 109.038 -0.727 . . . . 0.63 109.038 175.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -60.0 136.85 72.19 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.043 1.162 . . . . 0.77 111.318 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.83 -17.79 57.22 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.677 1.585 . . . . 0.67 112.458 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 423' ' ' ASP . 1.5 m-20 -81.79 -4.99 57.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.264 -0.574 . . . . 2.33 111.706 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' VAL . . . . . 0.456 HG21 HG22 ' A' ' 381' ' ' ILE . 8.0 p -63.54 138.07 23.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 C-N-CA 120.652 -0.419 . . . . 0.28 110.509 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -94.25 -40.59 9.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 1.62 111.029 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' LEU . . . . . . . . . . . . . 40.6 mt -123.99 132.93 53.77 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.037 0.446 . . . . 0.6 111.164 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' VAL . . . . . . . . . . . . . 53.7 t -123.22 128.31 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.536 -0.757 . . . . 0.26 109.334 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.43 ' HB ' HG22 ' A' ' 382' ' ' VAL . 84.0 mt -120.41 116.84 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.47 -0.332 . . . . 0.21 110.441 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 1.8 p -142.78 171.78 13.58 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.596 -0.442 . . . . 0.71 110.668 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -73.25 136.93 44.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.916 -0.584 . . . . 0.35 109.463 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -43.97 -33.57 1.44 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.891 -0.595 . . . . 2.96 111.966 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.26 -22.52 66.87 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.941 -0.704 . . . . 2.05 111.033 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 24.2 mt -119.85 2.32 11.05 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.635 -0.426 . . . . 0.35 111.881 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . 0.417 HG21 ' CB ' ' A' ' 448' ' ' SER . 3.0 p -62.93 -33.21 74.87 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.245 -0.582 . . . . 0.21 110.777 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.63 -44.21 85.39 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.509 -0.476 . . . . 2.77 109.905 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -61.04 -47.99 83.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.831 -0.622 . . . . 2.92 111.676 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.27 96.95 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.412 -0.515 . . . . 0.22 110.675 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' MET . . . . . 0.577 ' O ' ' N ' ' A' ' 442' ' ' PRO . 44.4 mtt -56.21 -40.04 73.42 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.696 0.76 . . . . 1.08 108.955 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -46.31 83.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.651 -1.159 . . . . 3.83 111.896 -175.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' GLN . . . . . 0.447 ' OE1' HD12 ' A' ' 420' ' ' LEU . 55.4 tt0 -61.1 -43.3 99.09 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.22 -1.03 . . . . 1.31 108.22 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 2.1 m -140.86 86.6 11.67 Favored Pre-proline 0 N--CA 1.447 -0.595 0 CA-C-N 115.443 -0.799 . . . . 0.33 109.087 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . 0.577 ' N ' ' O ' ' A' ' 438' ' ' MET . 40.0 Cg_endo -78.14 -6.18 15.57 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.163 1.909 . . . . 0.33 109.575 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -89.99 -9.51 48.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.851 -1.068 . . . . 1.85 109.857 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -88.5 169.59 11.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.712 -0.677 . . . . 0.24 110.521 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -93.66 125.77 38.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.148 -0.478 . . . . 2.26 109.748 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 438' ' ' MET . 97.8 m-70 -118.55 137.47 53.21 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.618 -0.719 . . . . 0.21 110.91 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 48.2 mm -123.0 128.52 75.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.211 -1.033 . . . . 0.25 108.211 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . 0.417 ' CB ' HG21 ' A' ' 434' ' ' THR . 5.5 p -101.73 139.67 37.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.332 0.587 . . . . 1.26 111.737 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 82.6 mt -104.96 167.0 10.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.115 -0.948 . . . . 0.44 109.23 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 18.6 p -117.26 -39.93 3.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.94 110.181 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -134.93 153.32 52.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.309 0.576 . . . . 1.76 110.68 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -62.9 -38.55 91.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.169 -0.923 . . . . 0.61 112.242 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 455' ' ' SER . 46.5 mt -107.96 20.95 18.08 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.272 -0.571 . . . . 0.53 111.23 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -62.04 79.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.583 -0.447 . . . . 1.98 110.315 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 453' ' ' LEU . 66.5 p -59.46 -35.33 73.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 1.34 111.92 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -60.2 -48.48 85.91 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.048 -0.821 . . . . 0.29 111.048 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 457' ' ' LEU . 74.5 mt -63.0 -45.42 92.49 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.262 -0.575 . . . . 0.39 110.587 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.0 -45.12 91.45 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.575 -0.45 . . . . 0.7 110.788 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 97.9 m -61.63 -46.39 90.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.598 -0.441 . . . . 0.3 110.755 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' SER . . . . . . . . . . . . . 41.1 m -60.47 -45.06 95.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.84 0.352 . . . . 1.33 111.321 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.17 -42.13 98.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.77 110.555 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 33.4 m -61.37 -47.64 84.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.912 -0.586 . . . . 0.4 111.425 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.07 -39.52 78.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.261 0.553 . . . . 2.0 109.631 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -64.23 -45.94 86.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.339 -0.846 . . . . 3.55 112.286 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.62 -40.11 96.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.99 -0.55 . . . . 0.29 109.585 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.07 -45.64 95.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.19 -0.67 . . . . 0.2 109.19 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.32 95.66 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.25 110.395 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 471' ' ' HIS . . . -71.55 -25.48 62.24 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.577 -0.283 . . . . 0.33 111.206 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -67.49 -48.58 66.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.416 . . . . 1.63 110.642 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -64.92 -62.78 1.35 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 121.931 0.872 . . . . 3.82 108.65 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' HIS . . . . . 0.574 ' O ' ' O ' ' A' ' 468' ' ' ALA . 2.1 m170 . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 105.852 -1.907 . . . . 3.26 105.852 174.403 . . . . . . . . 1 1 . 1 stop_ save_