data_2ese_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 2ese _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 core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 21.6 mt . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.4 p -68.63 27.26 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 130.734 3.614 . . . . 0.0 113.645 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -108.03 126.78 28.96 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 126.974 2.11 . . . . 0.0 108.985 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -70.44 -24.84 26.12 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 121.924 1.749 . . . . 0.0 113.235 -168.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.06 -41.8 61.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -48.68 64.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 171.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.8 -43.12 90.46 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.475 0.58 . . . . 0.0 112.092 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -68.11 -29.68 68.66 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.36 82.99 1.84 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.291 0.567 . . . . 0.0 111.827 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 33.8 mm -46.11 -42.71 28.62 Favored Pre-proline 0 N--CA 1.486 1.341 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.56 -41.74 59.23 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 122.558 2.172 . . . . 0.0 114.255 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.6 ttp -84.12 -26.0 29.25 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.744 -0.598 . . . . 0.0 111.883 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -58.64 -46.7 86.56 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.574 0.702 . . . . 0.0 110.161 166.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.27 -25.76 59.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.057 1.743 . . . . 0.0 114.385 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -54.42 -47.82 72.36 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.4 m -64.82 -2.7 2.71 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.3 mt -119.86 2.04 11.03 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.561 1.945 . . . . 0.0 113.653 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 57.99 16.39 3.72 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 20.4 mt -104.33 7.1 35.67 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -60.08 6.15 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -86.23 -28.52 23.79 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.596 0.712 . . . . 0.0 109.984 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -91.96 12.3 22.23 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.877 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 80.5 p -57.79 -32.05 67.15 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.951 -1.093 . . . . 0.0 113.776 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.95 -25.95 40.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.376 0.989 . . . . 0.0 112.329 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.79 -28.02 60.56 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.902 0.858 . . . . 0.0 111.271 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.06 -13.08 18.36 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.142 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 21.6 t -69.95 174.96 4.74 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.567 0.699 . . . . 0.0 111.343 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.07 8.42 49.5 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.534 -0.729 . . . . 0.0 113.168 -168.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 44.3 m -139.29 121.05 9.98 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.94 160.76 46.84 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.108 1.872 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.3 p-90 -61.2 -56.51 19.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.276 -173.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.42 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -34.17 -26.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -113.05 -38.76 4.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.757 0.423 . . . . 0.0 111.903 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 6.6 tp -45.51 -60.14 2.34 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.524 0.515 . . . . 0.0 109.723 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.502 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.276 38.8 pt -41.13 -36.39 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 176.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -74.77 -6.13 47.19 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 155.34 0.97 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 124.458 2.075 . . . . 0.0 115.493 172.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -113.27 166.68 11.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 109.446 -3.525 . . . . 0.0 111.413 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.41 -41.14 72.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.58 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.827 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 5.7 m -58.2 -44.98 88.37 Favored 'General case' 0 C--O 1.223 -0.322 0 O-C-N 121.44 -0.788 . . . . 0.0 110.689 173.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -48.49 81.45 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.526 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -64.43 -27.95 69.34 Favored 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 118.81 -2.431 . . . . 0.0 113.086 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -78.63 -19.53 52.44 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -74.4 -31.68 62.42 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.289 0.495 . . . . 0.0 110.926 172.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 122.27 14.57 4.45 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.853 0.721 . . . . 0.0 113.662 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -102.39 63.87 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 122.188 0.994 . . . . 0.0 108.48 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.17 -29.64 64.21 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -168.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.69 139.71 58.8 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.863 0.756 . . . . 0.0 111.201 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.64 -44.14 94.74 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.121 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -63.05 -59.49 8.98 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.16 -69.46 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 167.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.01 -45.67 79.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -57.46 -38.96 75.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.697 0.399 . . . . 0.0 111.645 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.83 -25.22 56.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.123 -0.942 . . . . 0.0 112.243 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.78 -48.98 74.72 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 119.631 1.105 . . . . 0.0 109.114 167.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.8 mt -57.42 -37.48 72.84 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -62.62 -60.11 3.98 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.38 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.54 -47.4 39.26 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.078 0.861 . . . . 0.0 112.194 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.502 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.7 m-30 -58.15 -47.05 84.56 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 129.347 3.059 . . . . 0.0 113.911 174.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.54 -29.66 75.77 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 119.877 -1.765 . . . . 0.0 111.716 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.5 mt -70.73 -70.69 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 5.7 m -42.08 -56.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.564 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 35.7 mt -39.8 -44.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 CA-C-N 119.645 1.111 . . . . 0.0 113.348 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.38 -55.12 39.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.95 -28.58 67.76 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.698 1.369 . . . . 0.0 114.698 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -67.08 -45.45 77.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.512 0.672 . . . . 0.0 110.703 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -71.04 -12.08 61.32 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.493 -1.231 . . . . 0.0 112.407 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -102.66 -19.9 14.62 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.234 -0.889 . . . . 0.0 112.096 174.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.8 t70 77.57 18.74 1.28 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 124.686 1.241 . . . . 0.0 113.455 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.3 mp -76.12 -10.02 59.08 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 36.3 mt -79.68 152.86 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 122.39 1.09 . . . . 0.0 110.227 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.45 147.51 32.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.523 1.154 . . . . 0.0 110.141 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 41.9 mmt-85 -63.04 -15.37 56.27 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.51 -1.223 . . . . 0.0 114.096 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 16.3 m -76.7 -16.72 59.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.9 77.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.361 0.982 . . . . 0.0 111.833 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.253 1.279 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.176 -175.679 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.7 p -73.5 22.37 0.08 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.832 2.853 . . . . 0.0 113.085 173.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.18 125.98 45.99 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 127.726 2.411 . . . . 0.0 108.45 -170.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.83 -25.19 33.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 121.718 1.612 . . . . 0.0 113.262 -169.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.26 -43.19 57.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.627 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.75 -49.09 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.373 0.421 . . . . 0.0 110.645 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 60.3 mt -57.73 -43.51 85.35 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.24 0.473 . . . . 0.0 111.931 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -70.44 -25.68 63.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -118.36 82.74 1.89 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.513 0.673 . . . . 0.0 111.833 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 31.5 mm -46.67 -41.6 27.39 Favored Pre-proline 0 N--CA 1.486 1.347 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.73 -40.95 77.91 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.42 2.08 . . . . 0.0 113.876 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.2 ttp -82.38 -26.17 33.1 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.721 -0.612 . . . . 0.0 111.815 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -60.11 -46.42 89.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.749 -0.594 . . . . 0.0 110.394 166.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.5 -30.39 64.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.795 1.238 . . . . 0.0 113.583 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -53.2 -43.53 67.27 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 167.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.1 m -66.1 -3.27 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.57 -6.18 12.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.203 1.801 . . . . 0.0 113.218 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 60.51 25.34 14.98 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -170.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 467' ' ' LYS . 69.8 mt -109.66 15.72 22.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.731 175.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -62.95 19.07 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 465' ' ' LEU . 26.7 mmmt -80.63 -25.48 38.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.375 0.607 . . . . 0.0 109.604 170.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.7 16.31 21.48 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.853 -1.521 . . . . 0.0 111.5 -171.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 65.1 m -51.63 -49.26 62.61 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.26 -24.36 60.45 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.005 0.821 . . . . 0.0 112.343 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.92 -21.52 54.74 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.377 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.5 mt -108.89 -18.56 13.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.858 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 37.6 m -68.71 -14.05 62.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.72 -0.78 42.76 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.893 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -132.42 130.41 21.84 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 158.63 54.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 121.97 1.78 . . . . 0.0 111.192 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.68 -54.36 46.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.464 -171.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.8 tp -35.0 -27.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -116.9 -29.89 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.932 0.493 . . . . 0.0 111.98 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 12.2 tp -48.68 -55.28 11.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.908 0.861 . . . . 0.0 110.683 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.509 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.315 40.6 pt -42.39 -33.18 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 173.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -85.52 5.63 30.59 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.98 169.69 1.42 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.142 0.972 . . . . 0.0 112.576 171.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.96 164.92 23.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.882 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -51.76 -48.07 63.87 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.123 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.59 -45.77 88.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.896 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 55.8 m -64.37 -36.64 84.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 118.69 -0.671 . . . . 0.0 111.091 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -49.8 75.69 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.976 0.807 . . . . 0.0 110.965 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.19 -37.72 67.43 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 122.013 -0.43 . . . . 0.0 112.065 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -87.26 -5.56 58.88 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.39 -1.444 . . . . 0.0 114.462 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -98.52 -6.78 29.52 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 112.52 11.47 14.98 Favored Glycine 0 N--CA 1.477 1.392 0 CA-C-N 117.679 0.218 . . . . 0.0 113.224 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 4.7 t -109.92 61.37 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -32.13 73.5 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.813 -167.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.24 139.59 46.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.649 0.738 . . . . 0.0 112.522 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.47 -46.72 81.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.564 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.14 -61.3 7.58 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.06 -67.58 0.13 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 168.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.19 -36.58 84.09 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -60.61 -33.42 72.73 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.811 1.187 . . . . 0.0 112.357 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -75.94 -25.38 55.87 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.087 -0.959 . . . . 0.0 112.71 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.76 -47.84 76.69 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.362 0.983 . . . . 0.0 109.022 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.07 -37.79 77.91 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.005 0.82 . . . . 0.0 113.068 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -62.43 -58.23 8.37 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.517 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.97 43.24 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.129 0.893 . . . . 0.0 112.391 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.1 m-30 -57.83 -47.1 83.64 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 129.754 3.222 . . . . 0.0 113.81 173.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.07 -29.67 75.96 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 119.73 -1.856 . . . . 0.0 111.887 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.2 mt -70.39 -71.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 5.4 m -41.39 -56.53 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 39.9 mt -39.11 -45.88 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-N 119.423 1.011 . . . . 0.0 113.186 170.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.1 -55.22 37.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.71 -27.43 66.44 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 174.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -70.99 -42.12 70.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.27 0.557 . . . . 0.0 110.945 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.24 -13.84 62.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.44 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -100.87 -21.13 15.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.482 -0.77 . . . . 0.0 112.032 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.99 22.64 2.35 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 113.435 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.36 -11.02 59.92 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.8 mt -73.68 153.32 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 122.325 1.059 . . . . 0.0 110.606 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.0 148.05 34.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.692 1.234 . . . . 0.0 110.942 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -64.35 -17.85 64.1 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.182 -1.372 . . . . 0.0 114.522 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 75.6 m -81.86 -12.49 58.45 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.74 -33.91 74.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.778 1.172 . . . . 0.0 111.771 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.254 1.325 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.185 -175.844 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 120.929 0.395 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 36.6 p -71.29 60.28 0.29 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 129.059 2.944 . . . . 0.0 112.74 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -134.9 126.99 18.11 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 127.297 2.239 . . . . 0.0 108.756 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.3 -24.68 26.93 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.801 1.668 . . . . 0.0 113.131 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -73.23 -43.99 60.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.2 -51.38 64.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.175 171.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.05 -39.37 78.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -59.48 -49.66 76.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.586 -0.696 . . . . 0.0 112.764 173.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.52 97.85 6.87 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 32.0 mm -43.26 -43.0 9.79 Favored Pre-proline 0 N--CA 1.483 1.202 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.2 -42.16 54.96 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.211 1.94 . . . . 0.0 114.158 173.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 17.7 ttp -81.41 -30.71 33.49 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 111.656 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -56.1 -45.15 79.54 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.836 0.744 . . . . 0.0 110.721 166.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.05 -26.9 59.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.98 1.712 . . . . 0.0 114.604 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -54.09 -46.87 72.16 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 168.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.1 m -63.28 -0.67 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 174.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.51 -3.8 8.82 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.963 1.705 . . . . 0.0 114.957 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 62.48 15.97 8.29 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -171.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.0 mt -98.41 1.82 47.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.247 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -62.27 8.42 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -79.52 -35.29 40.25 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.41 -0.806 . . . . 0.0 109.274 166.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -92.36 14.21 17.17 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.163 -172.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 37.2 m -53.09 -32.11 45.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.49 -32.19 37.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.29 0.95 . . . . 0.0 113.429 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.9 -26.81 66.17 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.835 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.94 -13.43 16.91 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 28.4 t -69.03 174.33 4.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.591 0.71 . . . . 0.0 111.599 168.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 69.75 5.56 51.96 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 121.597 -0.689 . . . . 0.0 113.375 -168.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.0 m -136.68 107.22 9.09 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -63.17 156.71 53.66 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.469 2.113 . . . . 0.0 110.469 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -57.31 -50.41 73.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.457 -170.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tp -36.08 -25.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -117.08 -30.4 5.68 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.321 0.648 . . . . 0.0 111.55 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.6 tp -51.26 -59.43 4.22 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.457 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.315 31.0 pt -42.76 -36.48 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 173.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -77.87 8.58 4.43 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 175.01 0.12 Allowed 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 123.415 1.579 . . . . 0.0 112.955 169.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -138.78 170.17 16.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 112.618 -2.083 . . . . 0.0 108.225 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.34 -40.05 81.13 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.14 -42.33 80.3 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.6 m -61.17 -42.6 98.86 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 110.71 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.34 -48.4 81.47 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.053 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.74 -30.21 71.26 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 122.996 2.634 . . . . 0.0 112.742 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.57 -17.76 55.65 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.46 -31.41 62.23 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.501 0.592 . . . . 0.0 111.09 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 125.1 14.5 3.32 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 123.84 0.713 . . . . 0.0 113.827 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 18.1 t -102.5 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 121.97 0.89 . . . . 0.0 108.714 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -25.91 57.66 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.1 138.29 56.99 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.276 0.56 . . . . 0.0 111.224 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.05 -47.86 84.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.607 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.07 -62.15 6.37 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.94 -66.08 0.13 Allowed 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.916 1.009 . . . . 0.0 113.372 167.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.17 -54.12 28.34 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -55.9 -36.24 67.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.15 -32.19 71.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.549 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.39 -49.12 70.5 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.66 0.663 . . . . 0.0 109.865 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.01 -38.51 70.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -65.19 -59.22 4.32 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.141 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.79 -49.24 39.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 124.142 0.901 . . . . 0.0 112.087 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.457 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.1 m-30 -56.08 -45.78 79.26 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 129.644 3.177 . . . . 0.0 113.729 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.74 -29.98 75.55 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 119.697 -1.877 . . . . 0.0 111.983 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -71.73 -68.56 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.6 m -41.15 -57.53 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 118.907 -1.117 . . . . 0.0 113.71 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 34.9 mt -39.41 -43.99 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 CA-C-N 119.902 1.228 . . . . 0.0 113.527 170.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -55.56 33.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.99 -25.66 63.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 172.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -72.79 -41.52 64.89 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.423 0.63 . . . . 0.0 110.899 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -70.92 -19.0 62.63 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.002 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -91.51 -22.85 20.17 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.782 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.8 t70 74.45 21.04 2.4 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.621 1.201 . . . . 0.0 113.728 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.99 -8.59 57.66 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.6 mt -77.42 148.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 122.629 1.204 . . . . 0.0 110.303 -176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -81.36 142.62 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.56 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 35.1 mmt-85 -62.52 -13.66 33.15 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 114.568 -1.196 . . . . 0.0 114.159 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 23.8 m -77.92 -16.29 58.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.16 79.16 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.604 0.638 . . . . 0.0 111.743 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--O 1.254 1.302 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.491 -176.6 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.223 -0.309 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 79.4 p -66.44 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.616 3.166 . . . . 0.0 114.345 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -102.3 127.16 31.26 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 126.844 2.058 . . . . 0.0 109.562 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.48 -28.34 32.34 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 121.888 1.726 . . . . 0.0 112.585 -168.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -72.31 -39.86 67.92 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.811 0.444 . . . . 0.0 110.109 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.37 -49.6 47.5 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.34 -38.03 70.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.548 0.574 . . . . 0.0 112.548 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -65.03 -53.24 49.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.167 -0.958 . . . . 0.0 111.924 168.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -93.72 82.6 4.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.177 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.6 mm -45.46 -43.12 23.2 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -175.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.49 -40.58 78.21 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.498 2.132 . . . . 0.0 114.691 172.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.3 ttp -82.18 -26.61 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.594 -0.691 . . . . 0.0 111.677 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.607 -0.683 . . . . 0.0 110.173 166.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.39 -25.67 61.58 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.089 1.356 . . . . 0.0 114.265 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -55.96 -45.14 78.95 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 167.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 8.8 t -60.99 -10.62 6.1 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 173.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 71.2 mt -115.06 2.89 14.3 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.315 1.846 . . . . 0.0 114.026 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 56.89 21.79 6.48 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.66 12.03 19.66 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.551 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -61.59 10.79 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -83.88 -28.49 27.91 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -96.12 10.92 36.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.86 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 51.1 m -53.92 -34.72 60.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -81.93 -27.32 33.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.45 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.347 0.594 . . . . 0.0 110.439 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 58.9 mt -97.11 -9.14 28.57 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.354 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.1 t -68.37 170.17 9.36 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.556 0.693 . . . . 0.0 111.006 167.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 70.89 6.37 59.71 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.333 -0.854 . . . . 0.0 113.65 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 38.0 m -134.76 120.7 14.49 Favored Pre-proline 0 N--CA 1.471 0.593 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.78 158.12 58.01 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.388 2.059 . . . . 0.0 110.564 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.431 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 39.3 p-90 -62.14 -54.05 46.67 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.851 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.431 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.0 tp -34.3 -25.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 170.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -118.96 -28.9 5.43 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 12.5 tp -49.27 -54.53 16.4 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.712 0.768 . . . . 0.0 110.232 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.524 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.32 37.0 pt -42.31 -35.26 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 173.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -84.59 9.5 13.53 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.92 170.08 0.9 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.484 1.135 . . . . 0.0 111.956 169.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -132.73 164.86 25.84 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.46 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -57.82 -39.34 77.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.18 -43.97 69.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 38.1 m -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.016 -1.052 . . . . 0.0 110.447 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.2 mt -56.71 -53.63 55.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.945 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.92 -31.91 73.09 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 122.174 2.261 . . . . 0.0 113.709 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -77.76 -13.07 60.0 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.909 -1.119 . . . . 0.0 113.658 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -93.7 -15.87 24.82 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 121.85 12.91 5.24 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 114.222 0.449 . . . . 0.0 114.222 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 13.2 t -106.96 64.12 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 122.643 1.211 . . . . 0.0 108.888 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.37 -34.44 76.07 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.2 140.86 58.21 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.821 0.819 . . . . 0.0 110.861 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.8 -41.5 99.31 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.061 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.49 -62.66 5.37 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.84 -68.91 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 169.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -55.05 -45.62 75.27 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -62.2 -32.73 73.41 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.349 0.977 . . . . 0.0 112.473 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -25.58 60.51 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.584 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.91 -49.02 61.7 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 119.523 1.056 . . . . 0.0 109.137 168.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.91 -37.25 76.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.15 0.886 . . . . 0.0 113.142 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.49 -58.35 7.91 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.341 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.4 39.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.924 0.765 . . . . 0.0 112.001 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.524 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.9 m-30 -54.79 -52.07 63.78 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 129.924 3.29 . . . . 0.0 113.195 173.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.22 -29.16 72.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 119.865 -1.772 . . . . 0.0 112.021 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 22.7 mt -71.03 -71.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.5 m -41.86 -54.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 118.869 -1.133 . . . . 0.0 113.137 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 42.5 mt -38.05 -48.86 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 CA-C-N 119.069 0.85 . . . . 0.0 113.219 170.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -58.32 -55.47 34.6 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.283 0.989 . . . . 0.0 109.444 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -57.35 -29.16 63.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -31.13 58.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.199 0.6 . . . . 0.0 112.511 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.73 -23.0 29.48 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -81.03 -22.54 39.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 118.904 -0.569 . . . . 0.0 111.62 171.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 73.74 26.04 1.91 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.917 1.386 . . . . 0.0 112.53 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 mp -76.52 -5.96 49.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.465 172.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 9.5 mm -55.58 143.76 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.877 0.846 . . . . 0.0 110.528 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 521' ' ' SER . 9.1 m-20 -69.13 7.18 0.78 Allowed 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.277 18.3 mmt85 51.02 -0.39 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 119.123 3.008 . . . . 0.0 119.123 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' SER . . . . . 0.5 ' H ' ' C ' ' A' ' 519' ' ' ASP . 44.0 m -98.97 -11.62 21.39 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.905 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.28 62.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.253 1.289 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.453 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.5 p -65.99 16.42 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 131.304 3.842 . . . . 0.0 114.753 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.18 127.59 41.93 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.742 2.017 . . . . 0.0 109.696 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -65.25 -32.91 50.64 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 121.799 1.666 . . . . 0.0 113.567 -169.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -71.95 -40.28 68.79 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.153 0.283 . . . . 0.0 110.681 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -48.82 68.09 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 169.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 58.2 mt -58.04 -45.67 86.59 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -70.76 -20.97 62.57 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.494 -1.379 . . . . 0.0 114.654 172.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -120.84 81.97 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.677 0.672 . . . . 0.0 111.855 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.8 mm -47.28 -41.18 30.5 Favored Pre-proline 0 N--CA 1.486 1.367 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -174.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.0 -42.34 59.05 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.246 1.964 . . . . 0.0 114.306 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.4 ttp -82.53 -26.57 32.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.377 0.535 . . . . 0.0 111.593 -176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -58.52 -46.83 85.95 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.321 0.581 . . . . 0.0 110.637 166.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.49 -27.09 60.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.772 1.629 . . . . 0.0 114.002 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -53.53 -47.11 70.27 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 168.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 25.0 m -62.02 -5.08 1.93 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 48.5 mt -117.99 -3.04 11.17 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.089 1.756 . . . . 0.0 114.171 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 59.85 21.03 9.93 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 467' ' ' LYS . 59.4 mt -104.22 8.64 36.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.063 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -63.24 18.35 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 465' ' ' LEU . 27.7 mmmt -81.61 -25.04 36.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 168.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.34 14.08 22.75 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.95 1.406 . . . . 0.0 111.058 -172.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 18.5 p -56.6 -38.8 72.54 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -74.35 -30.0 61.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 119.065 0.848 . . . . 0.0 113.208 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.02 -19.08 61.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.258 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.1 mt -111.87 -20.23 12.11 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.08 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.0 t -61.83 -19.52 62.65 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.51 -3.61 48.72 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 114.775 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 51.9 m -125.96 129.57 24.24 Favored Pre-proline 0 N--CA 1.476 0.843 0 CA-C-N 117.5 0.65 . . . . 0.0 109.502 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.78 158.03 54.01 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 111.222 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.411 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.47 -54.86 40.51 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.476 -172.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.53 -26.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 172.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -117.17 -31.8 5.21 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.218 0.463 . . . . 0.0 111.929 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.6 tp -45.51 -57.23 4.28 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.495 0.664 . . . . 0.0 110.822 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.31 41.3 pt -42.26 -33.98 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 175.287 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -84.64 7.59 19.77 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.59 171.01 0.34 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.499 1.142 . . . . 0.0 113.348 171.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -131.53 166.26 21.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.167 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.88 -42.32 84.37 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.47 -45.33 76.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.7 m -62.02 -38.55 89.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.661 -0.649 . . . . 0.0 111.215 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.94 -48.19 82.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.932 0.333 . . . . 0.0 110.913 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.54 -42.27 74.37 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.88 -0.512 . . . . 0.0 112.084 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -78.0 -14.89 59.36 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.093 -1.004 . . . . 0.0 113.684 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -92.74 -12.79 30.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.49 10.52 8.58 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.288 0.475 . . . . 0.0 114.288 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 8.2 t -107.13 62.64 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.24 -28.61 70.15 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -166.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -75.63 145.42 41.09 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.9 0.857 . . . . 0.0 113.098 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.94 -42.46 89.98 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.448 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.91 -63.49 4.9 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.499 -0.612 . . . . 0.0 111.729 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.48 -66.9 0.12 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -55.9 -44.12 77.93 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -173.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.84 -35.51 76.72 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.762 1.619 . . . . 0.0 112.704 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -68.32 -31.45 70.87 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.888 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.3 -49.19 74.98 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.923 0.783 . . . . 0.0 110.436 169.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.43 -36.71 74.05 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -61.48 -61.04 2.81 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.28 170.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.97 -48.89 42.84 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 122.111 0.958 . . . . 0.0 112.236 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.9 m-30 -54.81 -46.06 74.47 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 129.005 2.922 . . . . 0.0 113.409 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.23 77.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 119.824 -1.798 . . . . 0.0 111.847 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.16 -70.17 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.1 m -41.77 -56.26 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 C-N-CA 118.772 -1.171 . . . . 0.0 113.914 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 37.9 mt -38.87 -44.33 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 CA-C-N 119.459 1.027 . . . . 0.0 113.33 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.23 -53.01 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.002 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.13 -28.97 69.49 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -70.12 -40.11 75.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.492 0.587 . . . . 0.0 111.5 174.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.76 -13.57 61.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.714 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -98.08 -25.63 14.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.762 173.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 18.9 t70 75.2 25.68 1.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.599 1.187 . . . . 0.0 113.38 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.3 mp -81.83 -7.62 59.62 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.79 156.27 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 122.166 0.984 . . . . 0.0 110.722 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -84.3 143.96 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.379 1.085 . . . . 0.0 110.719 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -62.06 -17.83 58.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.508 -1.223 . . . . 0.0 113.966 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -77.19 -13.75 59.89 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.2 71.6 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.148 0.886 . . . . 0.0 111.878 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.252 1.199 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.178 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 81.3 p -66.19 32.38 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.929 2.892 . . . . 0.0 114.244 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -112.9 128.28 25.8 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 127.044 2.137 . . . . 0.0 109.86 -173.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.77 -25.17 24.23 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.8 1.667 . . . . 0.0 113.174 -169.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -74.12 -41.2 61.98 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.29 -50.24 54.95 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.458 0.473 . . . . 0.0 110.478 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.05 -44.15 82.7 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.278 0.49 . . . . 0.0 112.142 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -68.5 -26.59 65.54 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -119.52 83.59 2.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.415 0.626 . . . . 0.0 111.74 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 23.8 mm -48.06 -41.52 42.52 Favored Pre-proline 0 N--CA 1.488 1.456 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.61 -38.3 90.77 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.483 2.122 . . . . 0.0 114.519 172.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 28.0 ttp -80.34 -31.68 37.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.478 0.311 . . . . 0.0 111.805 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.243 0.544 . . . . 0.0 111.32 168.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.17 -23.5 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.186 1.394 . . . . 0.0 113.492 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -51.44 -49.82 60.94 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 169.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -63.78 -14.81 55.93 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.85 -3.3 32.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.35 1.46 . . . . 0.0 113.179 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 63.51 19.43 11.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 467' ' ' LYS . 94.8 mt -113.87 16.68 18.34 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.88 177.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -63.75 19.78 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 465' ' ' LEU . 14.8 tppt? -80.7 -35.57 33.39 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 166.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -95.21 12.19 29.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.563 -172.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 24.2 p -54.75 -37.36 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.14 -24.92 43.0 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.03 0.832 . . . . 0.0 112.377 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.41 -21.23 56.26 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 73.7 mt -108.35 -14.96 14.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.034 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 19.4 t -64.47 -16.23 62.11 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -73.39 2.66 36.43 Favored Glycine 0 CA--C 1.541 1.664 0 N-CA-C 114.892 0.717 . . . . 0.0 114.892 170.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 49.7 m -136.87 115.18 10.25 Favored Pre-proline 0 N--CA 1.473 0.704 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -62.57 155.01 61.03 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.127 1.884 . . . . 0.0 110.718 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -55.38 -50.38 69.87 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.051 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.3 tp -35.38 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -117.22 -28.97 6.03 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.827 0.705 . . . . 0.0 111.743 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.43 -57.14 8.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.67 0.748 . . . . 0.0 109.764 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.512 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 33.2 pt -42.24 -34.93 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 172.338 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.412 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.2 m-30 -78.83 1.92 21.72 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.111 -1.618 . . . . 0.0 114.993 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.94 169.84 1.78 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 122.686 1.231 . . . . 0.0 113.314 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.03 172.22 13.08 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.029 175.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.91 -39.49 85.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.61 -44.63 64.08 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 96.8 m -62.28 -38.91 91.16 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.979 -1.076 . . . . 0.0 110.344 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.3 mt -56.65 -54.09 50.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.34 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.08 -28.36 70.03 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 121.832 2.106 . . . . 0.0 114.302 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.38 -14.55 58.24 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.985 -1.072 . . . . 0.0 113.531 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -92.65 -10.98 35.37 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.63 11.82 10.06 Favored Glycine 0 N--CA 1.477 1.388 0 CA-C-O 119.922 -0.377 . . . . 0.0 113.946 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.51 64.6 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 122.659 1.219 . . . . 0.0 108.294 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -35.94 81.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.534 -1.212 . . . . 0.0 114.255 -168.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.98 145.1 54.84 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.135 0.969 . . . . 0.0 112.031 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.54 -43.06 99.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.002 169.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.8 -64.63 4.03 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.29 -69.86 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 167.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -55.52 -45.66 77.09 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -59.83 -37.47 79.29 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.236 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.73 -29.86 67.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.082 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.99 -48.5 71.0 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.279 0.945 . . . . 0.0 110.16 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 67.5 mt -58.11 -38.19 75.99 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.27 0.941 . . . . 0.0 112.882 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -61.85 -59.11 5.63 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.033 170.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.57 -51.05 29.67 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 124.158 0.911 . . . . 0.0 112.674 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.512 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 18.0 m-30 -54.58 -47.56 73.14 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 129.444 3.098 . . . . 0.0 113.682 173.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -29.89 76.54 Favored Glycine 0 CA--C 1.526 0.753 0 O-C-N 119.985 -1.697 . . . . 0.0 111.816 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.2 mt -69.99 -70.92 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.1 m -42.44 -55.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.419 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 42.9 mt -39.42 -45.26 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-N 119.946 1.248 . . . . 0.0 113.039 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.33 -52.7 64.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.936 -176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.64 -31.75 70.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -66.51 -42.09 87.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.561 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.68 -10.04 59.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -102.19 -22.47 14.18 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.643 -0.694 . . . . 0.0 112.415 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.9 t0 77.42 23.16 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.708 1.255 . . . . 0.0 112.9 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.3 mp -77.07 -6.43 52.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.41 139.54 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.696 0.76 . . . . 0.0 110.496 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -73.0 145.98 46.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.68 1.228 . . . . 0.0 109.898 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -64.16 -10.86 25.49 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.855 -1.52 . . . . 0.0 113.613 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 31.9 m -89.42 -12.92 38.87 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.48 72.63 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.582 1.083 . . . . 0.0 111.808 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.252 1.213 0 CA-C-N 115.008 -0.996 . . . . 0.0 113.185 -179.008 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 50.3 mt . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 52.0 p -68.43 17.03 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 130.151 3.38 . . . . 0.0 115.522 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -98.61 131.69 25.41 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 126.582 1.953 . . . . 0.0 110.188 -170.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.57 -26.17 28.72 Favored 'Trans proline' 0 C--N 1.347 0.471 0 CA-C-N 121.455 1.555 . . . . 0.0 113.075 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.03 -41.38 61.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.7 mp -69.19 -51.71 35.22 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.5 0.5 . . . . 0.0 110.773 171.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.16 -43.75 74.53 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -67.34 -36.05 80.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 172.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -108.19 85.82 2.18 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 37.2 mm -47.92 -43.35 53.58 Favored Pre-proline 0 N--CA 1.488 1.429 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.63 -43.11 52.8 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.41 2.073 . . . . 0.0 113.933 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.3 ttp -80.66 -27.99 36.96 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.381 0.537 . . . . 0.0 111.704 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -57.86 -48.83 78.65 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.733 -0.604 . . . . 0.0 110.381 166.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.26 -28.33 63.07 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.036 1.334 . . . . 0.0 113.771 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -52.81 -42.88 65.51 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.6 t -57.62 -25.03 59.52 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 88.4 mt -95.72 -6.49 39.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.422 1.489 . . . . 0.0 113.961 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.256 87.8 mmt-85 60.26 21.17 10.59 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -169.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.407 ' C ' ' H ' ' A' ' 467' ' ' LYS . 83.9 mt -102.76 13.14 35.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.137 174.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -58.13 8.08 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 465' ' ' LEU . 13.3 tppt? -74.09 -34.91 64.13 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.903 0.859 . . . . 0.0 109.087 167.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -95.24 13.21 26.27 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.153 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.2 p -58.99 -31.53 68.87 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -80.83 -27.11 36.61 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.303 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.0 68.18 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.599 0.714 . . . . 0.0 110.225 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 71.2 mt -95.75 -12.0 26.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.27 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 27.1 t -66.31 166.62 11.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.588 0.709 . . . . 0.0 111.018 167.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 73.85 2.19 60.73 Favored Glycine 0 CA--C 1.539 1.582 0 O-C-N 121.293 -0.879 . . . . 0.0 113.897 -169.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 34.1 m -130.69 120.98 18.89 Favored Pre-proline 0 N--CA 1.475 0.792 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.56 159.88 51.33 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.615 2.21 . . . . 0.0 110.865 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.4 p-90 -61.68 -54.91 36.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.329 -172.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 2.8 tp -33.88 -25.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -30.85 6.03 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 9.8 tp -49.28 -54.66 15.8 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 121.42 0.628 . . . . 0.0 110.111 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.491 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.317 39.2 pt -43.3 -35.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 173.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.51 10.25 11.41 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.3 170.73 0.89 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.318 1.056 . . . . 0.0 112.605 170.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -131.67 167.47 19.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.709 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -58.56 -41.9 86.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.86 -41.33 71.55 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 30.2 m -61.13 -42.5 98.65 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.056 -1.027 . . . . 0.0 110.625 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.76 -54.93 38.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.711 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.2 -31.11 71.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.592 1.997 . . . . 0.0 114.235 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -77.67 -19.69 54.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -85.59 -18.31 33.68 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 124.8 10.89 4.63 Favored Glycine 0 N--CA 1.472 1.1 0 N-CA-C 114.33 0.492 . . . . 0.0 114.33 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.22 67.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 122.415 1.103 . . . . 0.0 109.052 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -30.51 63.85 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -169.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.05 137.83 49.31 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.323 0.965 . . . . 0.0 111.887 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.93 -42.75 98.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.689 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.47 -67.14 2.37 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.54 -66.04 0.16 Allowed 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.903 1.002 . . . . 0.0 113.306 166.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -47.05 -56.81 5.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -60.71 -35.67 76.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.234 0.925 . . . . 0.0 112.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -69.73 -29.65 67.09 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 118.167 -0.92 . . . . 0.0 112.223 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.81 -49.13 74.07 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 119.509 1.05 . . . . 0.0 109.735 168.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.5 mt -58.63 -38.22 77.59 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.084 0.856 . . . . 0.0 113.02 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -60.93 -59.54 5.22 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.844 169.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.68 -51.23 29.56 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.019 0.824 . . . . 0.0 112.412 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.491 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.3 m-30 -53.17 -48.66 67.81 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 129.693 3.197 . . . . 0.0 113.338 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.15 -30.62 78.3 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 119.986 -1.696 . . . . 0.0 111.913 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 14.9 mt -69.28 -71.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.3 m -42.08 -55.94 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 119.063 -1.055 . . . . 0.0 113.639 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 42.0 mt -38.97 -46.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 CA-C-N 119.763 1.165 . . . . 0.0 113.312 170.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.55 -54.97 40.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.5 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -58.75 -27.5 65.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.48 -43.49 69.65 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.549 0.69 . . . . 0.0 110.947 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.92 -13.15 61.57 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.938 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -99.12 -22.84 15.48 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.854 -0.593 . . . . 0.0 112.387 171.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.5 t0 68.71 30.82 4.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.06 -8.22 59.72 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 173.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.01 155.64 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 122.248 1.023 . . . . 0.0 109.592 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -81.06 128.43 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.616 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -61.13 -11.05 7.47 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 38.9 m -70.89 -14.85 62.54 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.31 -25.63 66.12 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--O 1.253 1.255 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.74 -169.879 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 120.588 0.232 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 48.0 p -66.02 17.04 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 130.163 3.385 . . . . 0.0 114.148 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.8 125.54 52.93 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 126.685 1.994 . . . . 0.0 110.02 -169.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.21 -31.64 89.96 Favored 'Trans proline' 0 CA--C 1.516 -0.388 0 C-N-CA 122.403 2.069 . . . . 0.0 114.679 -171.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -81.37 -29.78 33.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.342 -173.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -47.17 26.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.451 0.3 . . . . 0.0 110.518 167.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.81 -41.12 77.23 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.812 -0.555 . . . . 0.0 111.841 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.64 -49.67 67.8 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.098 -1.001 . . . . 0.0 112.712 169.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -100.78 84.67 2.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.269 0.557 . . . . 0.0 111.498 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.8 mm -47.59 -42.48 43.93 Favored Pre-proline 0 N--CA 1.483 1.22 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' A' ' 469' ' ' SER . 76.2 Cg_exo -49.78 -39.81 47.98 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.287 2.658 . . . . 0.0 115.612 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 23.6 ttp -83.16 -25.97 31.35 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -62.2 -48.32 80.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 169.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -28.22 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -53.51 -41.29 66.16 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 55.8 m -69.76 -4.18 18.74 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.26 -7.85 12.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.989 1.715 . . . . 0.0 114.48 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 64.67 19.87 11.96 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 467' ' ' LYS . 84.8 mt -111.93 18.6 18.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.558 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -66.78 20.84 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 465' ' ' LEU . 28.5 mmmt -93.1 -29.78 15.6 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 168.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -106.28 3.7 27.94 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.492 -175.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.402 ' HB2' ' HA ' ' A' ' 457' ' ' PRO . 44.1 p -56.86 -27.18 60.0 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.95 -32.07 45.31 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.14 0.495 . . . . 0.0 111.989 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -71.19 -17.51 62.52 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.312 173.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.1 mt -106.98 -15.8 14.61 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.025 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.0 t -64.22 -22.57 66.99 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -67.81 0.69 9.6 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.5 m -133.97 128.02 19.48 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 117.896 0.848 . . . . 0.0 108.978 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.99 160.75 48.37 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.14 1.893 . . . . 0.0 111.127 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.405 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -60.86 -55.27 35.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.894 -170.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.0 tp -35.11 -27.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -110.94 -33.41 6.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.883 0.473 . . . . 0.0 112.253 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.5 tp -49.58 -56.64 9.23 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.201 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.486 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.313 38.2 pt -41.96 -37.38 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 172.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.409 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.4 m-30 -76.7 -1.16 26.47 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.56 170.07 1.15 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.292 1.044 . . . . 0.0 113.407 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -129.4 167.94 17.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.765 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.93 -39.64 90.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.17 -48.05 80.05 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 122.418 -0.176 . . . . 0.0 111.016 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 9.1 m -62.11 -36.01 80.47 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.19 74.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.331 0.969 . . . . 0.0 110.9 171.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -55.47 -38.42 69.06 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 174.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.76 -10.29 58.22 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -98.09 -10.51 24.14 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.79 12.44 9.39 Favored Glycine 0 N--CA 1.477 1.376 0 O-C-N 123.264 0.352 . . . . 0.0 113.744 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.36 61.38 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -31.96 73.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.276 -1.329 . . . . 0.0 114.544 -167.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.04 145.89 47.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.313 0.577 . . . . 0.0 112.48 -175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.2 tp -61.76 -45.8 92.36 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.272 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.08 -65.81 3.26 Favored Glycine 0 C--N 1.338 0.69 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.77 -68.0 0.12 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -59.12 -44.9 92.03 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -60.45 -34.96 74.75 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.232 0.924 . . . . 0.0 112.826 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -70.47 -30.53 67.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.784 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.07 -49.35 74.86 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.113 0.87 . . . . 0.0 110.204 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.67 -37.3 75.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.022 0.828 . . . . 0.0 113.171 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -62.11 -58.73 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.387 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.01 -48.48 43.6 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 124.268 0.98 . . . . 0.0 112.28 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.486 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.3 m-30 -57.34 -47.51 81.38 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 129.813 3.245 . . . . 0.0 113.857 174.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.31 74.8 Favored Glycine 0 CA--C 1.526 0.741 0 O-C-N 119.751 -1.843 . . . . 0.0 111.632 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.4 mt -69.79 -71.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.6 m -41.47 -56.57 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.813 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 37.2 mt -39.57 -46.24 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 120.033 1.288 . . . . 0.0 113.044 170.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.75 -54.46 46.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.5 -27.68 66.36 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -70.27 -43.89 69.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.469 0.652 . . . . 0.0 110.853 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.58 -12.0 61.29 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.301 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -103.45 -21.39 13.8 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.634 173.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.78 24.7 2.09 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.389 1.055 . . . . 0.0 113.599 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.94 -12.47 60.03 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.4 152.83 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.441 1.115 . . . . 0.0 110.344 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.31 142.63 39.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.239 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.46 -19.19 61.73 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.277 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 73.5 m -81.37 -12.08 59.1 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.51 75.46 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.182 0.901 . . . . 0.0 111.754 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.253 1.285 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.67 -176.243 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 38.7 mt . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 70.6 p -70.89 16.86 0.08 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 131.202 3.801 . . . . 0.0 114.08 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -93.25 128.34 43.22 Favored Pre-proline 0 CA--C 1.536 0.419 0 C-N-CA 127.244 2.218 . . . . 0.0 109.591 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.99 -24.95 23.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 121.663 1.575 . . . . 0.0 113.334 -169.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -73.52 -39.53 64.72 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -50.55 22.48 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.074 171.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.28 -38.57 74.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -64.5 -54.07 38.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.163 -0.961 . . . . 0.0 111.868 168.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -95.8 83.66 3.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.223 0.535 . . . . 0.0 112.003 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.4 mm -47.71 -41.8 40.4 Favored Pre-proline 0 N--CA 1.487 1.392 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -174.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.89 -42.97 55.02 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.531 2.154 . . . . 0.0 114.026 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.5 ttp -79.96 -26.07 40.17 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.684 -0.635 . . . . 0.0 111.955 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.63 -47.98 83.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.309 0.576 . . . . 0.0 110.584 166.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.03 -28.01 62.09 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.264 1.426 . . . . 0.0 113.897 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -52.8 -46.45 67.67 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 48.7 m -61.34 -21.27 63.86 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.1 mt -92.68 -8.6 43.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.242 1.417 . . . . 0.0 113.24 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.262 88.4 mmt-85 62.71 18.12 10.35 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 467' ' ' LYS . 80.2 mt -101.25 15.08 29.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.265 176.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -62.28 16.79 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -77.31 -24.66 50.84 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.463 1.125 . . . . 0.0 109.761 168.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.85 11.68 27.89 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.089 -1.869 . . . . 0.0 112.989 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.5 m -52.29 -40.69 62.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.38 -26.49 41.98 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.91 58.54 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.158 0.504 . . . . 0.0 111.325 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.37 -14.5 14.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.217 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 46.6 t -62.64 -20.91 65.27 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.11 2.13 20.91 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.0 m -136.11 116.87 11.43 Favored Pre-proline 0 N--CA 1.474 0.731 0 CA-C-N 118.037 0.919 . . . . 0.0 108.786 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -61.83 153.66 66.43 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.059 1.84 . . . . 0.0 110.67 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -54.33 -50.27 67.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.081 -173.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.6 tp -35.67 -27.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -117.05 -29.75 5.87 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.694 0.621 . . . . 0.0 111.335 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.44 -56.99 7.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.805 0.691 . . . . 0.0 110.214 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.319 38.4 pt -42.94 -33.69 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 173.373 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -83.62 6.48 20.63 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.84 168.96 2.77 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 122.324 1.059 . . . . 0.0 112.604 172.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -132.87 169.35 16.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.22 -51.73 61.21 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.283 1.039 . . . . 0.0 112.585 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.87 -43.72 92.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.04 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.8 m -64.42 -38.67 91.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.46 -48.17 82.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.428 0.558 . . . . 0.0 110.855 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.03 -41.37 71.26 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.995 -0.441 . . . . 0.0 111.991 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.7 -15.62 58.25 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -91.21 -10.37 41.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 113.18 13.15 11.11 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.631 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.4 t -104.4 65.47 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -29.35 64.17 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -167.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.51 139.86 51.7 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.938 0.79 . . . . 0.0 111.782 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.94 -48.33 81.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.368 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.25 -65.36 3.6 Favored Glycine 0 C--N 1.339 0.745 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.91 -70.1 0.08 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -47.02 -52.81 13.95 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -57.08 -39.6 75.31 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.812 0.733 . . . . 0.0 111.847 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -73.44 -24.54 60.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 117.849 -1.072 . . . . 0.0 113.124 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.14 -48.32 76.5 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.749 1.159 . . . . 0.0 108.843 168.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.4 mt -57.37 -38.75 74.71 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -61.38 -60.67 3.37 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.034 170.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.06 -47.36 44.97 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.098 0.874 . . . . 0.0 112.812 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -57.96 -49.43 76.82 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 129.333 3.053 . . . . 0.0 113.604 174.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.02 -29.34 74.6 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 120.247 -1.533 . . . . 0.0 111.436 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.88 -72.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.3 m -41.85 -56.27 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 117.802 -1.094 . . . . 0.0 113.923 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 49.5 mt -39.17 -45.82 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 119.926 1.239 . . . . 0.0 112.88 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.23 -50.29 74.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.983 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -64.47 -30.23 71.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 171.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -68.33 -39.64 81.86 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.833 0.742 . . . . 0.0 110.634 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.57 -5.95 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.744 -1.117 . . . . 0.0 112.699 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.07 -24.22 10.02 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.616 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 15.9 t70 83.46 17.21 0.26 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 124.938 1.399 . . . . 0.0 112.632 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.5 mp -76.72 -5.23 47.16 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.634 -0.666 . . . . 0.0 112.546 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.1 mm -64.36 144.26 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 0.0 110.015 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.22 145.03 44.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 122.754 1.264 . . . . 0.0 109.892 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -66.84 -11.19 54.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.274 -1.33 . . . . 0.0 114.396 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.6 m -86.18 -14.2 44.72 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.51 88.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.712 0.687 . . . . 0.0 111.463 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.172 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.476 0.86 0 CA-C-O 120.755 0.312 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.0 p -69.95 14.39 0.11 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 130.909 3.683 . . . . 0.0 114.464 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -90.94 129.19 45.04 Favored Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 126.276 1.83 . . . . 0.0 109.727 -169.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.11 -25.53 31.52 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 121.732 1.621 . . . . 0.0 113.284 -169.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -75.0 -43.48 53.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.782 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.9 mp -67.99 -47.93 67.16 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.379 0.424 . . . . 0.0 110.715 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.11 -44.05 87.5 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.51 0.596 . . . . 0.0 111.676 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -66.93 -28.43 68.29 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.581 -1.325 . . . . 0.0 114.506 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -117.87 82.38 1.82 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 0.0 112.052 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 18.6 mm -48.4 -41.49 46.5 Favored Pre-proline 0 N--CA 1.488 1.44 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.85 -38.61 85.76 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.699 2.266 . . . . 0.0 114.284 172.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.6 ttp -81.94 -30.82 31.57 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.092 -0.38 . . . . 0.0 111.854 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -58.39 -51.57 69.26 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.218 0.532 . . . . 0.0 111.13 168.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.39 -24.12 64.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.889 1.676 . . . . 0.0 113.487 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -50.79 -45.01 59.03 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.0 m -67.17 -16.66 64.44 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 87.4 mt -94.52 -8.39 38.47 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.862 1.265 . . . . 0.0 113.458 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 62.37 20.45 11.85 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 467' ' ' LYS . 83.2 mt -109.06 16.71 22.35 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.435 174.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -65.54 20.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 465' ' ' LEU . 29.5 mmmt -86.42 -29.1 23.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 168.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -92.77 10.76 29.48 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.671 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 67.0 m -49.63 -39.86 37.35 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.18 -24.75 47.05 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.281 0.946 . . . . 0.0 112.789 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.63 -19.32 57.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.1 0.476 . . . . 0.0 110.925 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . 0.427 HD23 ' HE3' ' A' ' 491' ' ' LYS . 73.6 mt -111.57 -18.41 12.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.987 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.7 t -67.6 -14.46 62.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 173.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -75.22 -1.48 64.18 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 114.949 0.74 . . . . 0.0 114.949 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.6 m -131.48 131.66 23.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 117.979 0.89 . . . . 0.0 109.241 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.11 157.78 56.71 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.129 1.886 . . . . 0.0 111.338 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.424 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.9 p-90 -60.55 -55.08 37.64 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.622 -172.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -34.18 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 172.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -117.08 -30.05 5.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.83 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.405 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.4 tp -46.43 -56.74 5.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 121.59 0.71 . . . . 0.0 110.557 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.49 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 42.2 pt -42.61 -34.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 175.142 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -85.08 4.34 34.6 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.95 168.25 1.35 Allowed 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 122.109 0.957 . . . . 0.0 112.469 171.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -127.71 165.5 19.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.865 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -52.48 -48.37 65.95 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.023 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.67 -44.39 90.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.021 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 10.4 m -63.74 -39.14 93.55 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.715 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -49.41 77.07 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 117.916 0.326 . . . . 0.0 111.252 173.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -42.27 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.286 0.494 . . . . 0.0 111.313 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.99 -9.94 59.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . 0.427 ' HE3' HD23 ' A' ' 472' ' ' LEU . 17.3 ttpt -95.74 -6.57 39.46 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 110.02 16.29 10.77 Favored Glycine 0 N--CA 1.473 1.161 0 O-C-N 123.094 0.246 . . . . 0.0 113.33 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 9.5 t -112.76 60.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.88 -31.85 73.17 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.99 -1.459 . . . . 0.0 114.206 -167.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.08 140.33 47.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.27 -47.64 82.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.183 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.77 -65.43 3.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.03 -66.87 0.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 169.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -63.11 -36.36 83.34 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.24 -40.04 92.56 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.65 1.114 . . . . 0.0 111.563 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -67.34 -28.69 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.86 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.13 -46.5 80.69 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.408 169.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.4 mt -57.28 -37.17 71.98 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.541 1.064 . . . . 0.0 113.28 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.2 -59.24 5.33 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.659 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.92 -47.96 51.98 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.603 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.21 -45.68 83.6 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 129.335 3.054 . . . . 0.0 113.139 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.14 -29.68 75.42 Favored Glycine 0 CA--C 1.526 0.757 0 O-C-N 119.876 -1.765 . . . . 0.0 111.825 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.78 -69.83 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 5.9 m -41.52 -56.82 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 C-N-CA 119.004 -1.078 . . . . 0.0 113.708 176.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 42.9 mt -39.28 -45.27 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 CA-C-N 119.684 1.129 . . . . 0.0 113.322 170.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.34 -51.06 71.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.909 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -62.66 -31.34 72.2 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 171.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -69.85 -37.97 76.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.909 0.777 . . . . 0.0 111.189 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -69.97 -11.13 60.64 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.159 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -102.34 -22.36 14.13 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.114 173.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 20.1 t70 78.83 20.74 0.76 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 124.843 1.339 . . . . 0.0 113.178 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.7 mp -78.2 -3.92 45.07 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.3 mm -64.25 142.47 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.513 0.673 . . . . 0.0 110.466 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.6 145.9 40.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.498 1.142 . . . . 0.0 109.757 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -64.19 -15.92 60.9 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.474 -1.239 . . . . 0.0 114.208 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -78.38 -15.78 58.33 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.03 -27.57 65.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.419 1.009 . . . . 0.0 112.545 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.695 -174.54 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 120.875 0.369 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.2 p -67.73 20.37 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.959 3.304 . . . . 0.0 114.849 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -108.96 128.59 25.19 Favored Pre-proline 0 N--CA 1.47 0.535 0 C-N-CA 125.718 1.607 . . . . 0.0 110.083 -168.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.59 -24.65 25.62 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.926 1.75 . . . . 0.0 113.376 -168.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.61 -39.07 62.39 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.728 0.411 . . . . 0.0 110.249 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.83 -48.46 58.9 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 170.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.99 -35.69 71.56 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -63.12 -53.81 47.64 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.93 -1.106 . . . . 0.0 111.799 168.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -96.82 85.11 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 27.1 mm -48.1 -41.63 43.77 Favored Pre-proline 0 N--CA 1.49 1.555 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.06 -34.9 98.58 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.257 2.638 . . . . 0.0 114.777 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.2 ttp -80.4 -31.9 37.62 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.725 -0.609 . . . . 0.0 111.48 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.57 -52.65 64.54 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.036 0.446 . . . . 0.0 111.597 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.0 -20.62 65.03 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.476 1.51 . . . . 0.0 113.934 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -50.73 34.89 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 4.9 t -60.78 4.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.0 mt -129.19 -15.05 4.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.256 2.222 . . . . 0.0 112.04 -174.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.33 1.3 mpp_? 62.99 23.98 14.31 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.084 1.421 . . . . 0.0 114.265 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.4 ' C ' ' H ' ' A' ' 467' ' ' LYS . 55.4 mt -102.48 10.84 38.66 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.718 -2.492 . . . . 0.0 109.242 167.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -64.32 13.58 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 465' ' ' LEU . 16.5 tppt? -82.03 -34.35 29.56 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 166.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -90.97 13.15 17.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.787 -173.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 54.8 m -47.97 -39.28 18.95 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.343 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -77.11 -25.32 52.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.23 1.377 . . . . 0.0 112.997 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.93 58.44 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.619 0.724 . . . . 0.0 110.375 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.93 -20.98 12.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.388 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 9.8 m -71.92 -12.69 61.38 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.47 1.83 18.64 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 119.446 -0.641 . . . . 0.0 114.431 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 15.2 m -137.66 134.67 18.44 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -72.07 158.16 52.85 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.859 1.706 . . . . 0.0 111.248 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.444 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.7 p-90 -60.2 -55.42 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.04 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.444 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -35.13 -26.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -116.38 -31.76 5.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.867 -0.587 . . . . 0.0 111.63 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.406 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 10.7 tp -44.87 -59.65 2.44 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-O 121.564 0.697 . . . . 0.0 110.508 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.44 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.318 39.3 pt -43.69 -32.29 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 175.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -86.34 4.69 38.12 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 171.14 0.76 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.954 0.883 . . . . 0.0 113.108 172.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.63 166.48 17.99 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.147 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.0 -49.79 62.62 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.395 1.093 . . . . 0.0 113.814 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.75 -40.04 84.16 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.002 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 6.7 m -62.64 -39.44 93.85 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.292 -0.88 . . . . 0.0 111.162 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.4 mp -56.21 -53.88 51.93 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.909 0.777 . . . . 0.0 111.44 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -61.19 -30.2 70.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 119.949 1.25 . . . . 0.0 113.969 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.59 -13.05 59.39 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -88.97 -12.07 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.55 13.8 7.87 Favored Glycine 0 N--CA 1.474 1.229 0 O-C-N 123.473 0.483 . . . . 0.0 113.733 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -109.33 62.69 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 122.776 1.274 . . . . 0.0 107.786 -174.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -37.23 85.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.763 -168.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -69.94 141.06 53.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.154 0.434 . . . . 0.0 111.327 -174.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.68 -42.41 92.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.815 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.92 -65.69 3.07 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.864 -0.409 . . . . 0.0 112.248 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.85 -57.52 0.45 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 168.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . 0.408 ' HA ' HD23 ' A' ' 488' ' ' LEU . 12.8 ttm180 -50.58 -59.92 3.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -55.9 -37.51 68.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.922 0.783 . . . . 0.0 112.89 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -65.14 -35.83 82.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.13 -50.71 67.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.731 0.696 . . . . 0.0 111.049 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.1 -35.26 74.83 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.148 0.885 . . . . 0.0 113.259 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -59.62 -61.09 2.88 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.412 169.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.49 41.13 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.44 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 10.9 m-30 -60.59 -42.45 96.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 129.754 3.222 . . . . 0.0 113.732 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.52 -30.59 73.14 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 119.48 -2.013 . . . . 0.0 112.088 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.82 -67.68 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 7.5 m -41.75 -56.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.604 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 38.4 mt -39.14 -45.38 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-N 119.985 1.266 . . . . 0.0 113.353 170.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.38 -54.04 51.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.561 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -61.15 -27.52 68.45 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -68.37 -43.41 77.41 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.727 0.775 . . . . 0.0 110.253 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.58 -8.77 56.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 113.831 -1.532 . . . . 0.0 112.234 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.68 -22.75 13.52 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.281 172.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 16.8 t70 85.74 16.38 0.13 Allowed 'General case' 0 N--CA 1.479 0.979 0 O-C-N 125.281 1.613 . . . . 0.0 113.005 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.93 -4.83 51.77 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 27.9 mm -54.57 -58.65 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 19.4 t70 107.18 149.81 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 127.842 3.214 . . . . 0.0 109.758 -170.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -70.08 -10.45 58.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 58.5 m -72.0 -25.44 61.83 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -74.13 -42.03 60.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.993 0.815 . . . . 0.0 112.49 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-N 113.894 -1.503 . . . . 0.0 113.795 179.738 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 121.066 0.46 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 77.5 p -68.72 24.92 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.773 3.629 . . . . 0.0 114.04 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.88 130.04 23.48 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 127.106 2.162 . . . . 0.0 109.425 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.28 -22.65 25.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 121.433 1.422 . . . . 0.0 113.238 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.74 -43.63 45.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.27 -51.06 65.4 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.41 -37.15 79.94 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -59.78 -53.58 56.25 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.64 -0.663 . . . . 0.0 112.674 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.79 95.66 5.69 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 122.387 1.089 . . . . 0.0 112.584 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.9 mm -45.87 -40.55 16.19 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-N 112.646 -2.07 . . . . 0.0 115.524 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.78 -38.74 78.17 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.0 1.8 . . . . 0.0 114.761 173.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 18.5 ttp -78.17 -32.26 50.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.196 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -56.76 -47.65 79.62 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 168.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.46 -28.28 69.56 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 173.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -52.36 -48.15 65.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 65.7 m -67.43 -8.49 33.61 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 72.7 mt -104.71 -6.59 20.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.364 1.465 . . . . 0.0 113.561 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 62.43 21.64 12.72 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -169.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 467' ' ' LYS . 82.9 mt -113.78 19.93 16.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.34 176.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -66.88 23.47 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 465' ' ' LEU . 16.6 tppt? -95.71 -38.77 10.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 168.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -90.68 6.79 42.52 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.439 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 11.0 p -52.3 -33.49 42.48 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -80.05 -28.31 39.26 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.08 -18.44 63.99 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.226 172.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.37 -14.69 12.75 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.13 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.8 t -64.96 -20.4 66.46 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.96 -2.39 38.33 Favored Glycine 0 CA--C 1.541 1.69 0 N-CA-C 115.223 0.849 . . . . 0.0 115.223 172.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 48.8 m -132.28 130.56 21.99 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 117.839 0.819 . . . . 0.0 109.43 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.22 160.53 48.67 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.061 1.841 . . . . 0.0 111.243 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.7 p-90 -60.8 -55.09 37.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.785 -170.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.433 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -35.25 -28.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 172.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -111.32 -32.67 6.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 123.454 0.471 . . . . 0.0 112.267 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.9 tp -49.74 -56.16 11.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.89 0.744 . . . . 0.0 110.064 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.496 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.324 36.4 pt -42.37 -37.33 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -79.05 2.08 21.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.81 169.19 1.48 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 122.316 1.055 . . . . 0.0 113.429 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -129.65 167.21 18.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -58.94 -40.86 85.93 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.52 -49.65 68.16 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 122.333 -0.229 . . . . 0.0 111.453 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 26.3 m -59.94 -36.56 77.33 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.789 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 5.5 mp -55.41 -53.21 59.11 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.317 170.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.2 -36.28 65.77 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -86.02 -9.94 55.9 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -96.34 -11.56 25.66 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.53 12.72 9.36 Favored Glycine 0 N--CA 1.474 1.228 0 CA-C-O 120.046 -0.308 . . . . 0.0 113.277 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 10.0 t -107.6 63.59 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 122.525 1.155 . . . . 0.0 108.161 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -39.85 82.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.99 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.61 140.14 55.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.119 0.485 . . . . 0.0 111.658 -175.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -61.68 -43.42 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.97 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.21 -65.75 3.25 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.59 -61.72 0.32 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.786 0.933 . . . . 0.0 113.188 167.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 17.8 ttp-105 -50.58 -57.64 7.69 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 34.8 mtp-105 -54.79 -37.57 66.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.847 0.749 . . . . 0.0 112.613 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.37 -33.26 72.79 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.589 -0.719 . . . . 0.0 112.129 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.03 -49.91 70.55 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.974 0.807 . . . . 0.0 111.086 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.59 -36.55 76.48 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.859 0.838 . . . . 0.0 112.701 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.95 -60.34 3.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.303 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.84 -47.51 31.36 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.307 1.004 . . . . 0.0 112.382 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.496 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.5 m-30 -56.68 -48.68 77.09 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 128.976 2.91 . . . . 0.0 113.815 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.96 -30.15 76.92 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 120.041 -1.662 . . . . 0.0 111.711 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.95 -71.64 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.1 m -41.72 -55.36 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 119.118 -1.033 . . . . 0.0 113.645 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 35.5 mt -39.13 -46.31 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 CA-C-N 119.457 1.026 . . . . 0.0 113.396 170.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -58.45 -56.12 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.944 0.777 . . . . 0.0 109.449 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.4 -26.41 63.22 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -69.95 -44.92 68.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.183 0.447 . . . . 0.0 110.567 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.08 -20.77 60.17 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -86.17 -23.09 26.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.656 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 72.42 25.06 2.82 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 124.488 1.117 . . . . 0.0 112.892 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.59 -11.91 59.91 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.8 mt -75.65 155.99 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.483 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.54 152.55 24.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 122.881 1.324 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.06 -14.73 62.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.083 -1.417 . . . . 0.0 114.404 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 21.0 m -83.23 -13.5 55.2 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.8 78.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.937 0.79 . . . . 0.0 111.251 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.255 1.356 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.047 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 63.8 p -66.78 14.38 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.586 1 C-N-CA 132.75 4.42 . . . . 0.0 113.764 169.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.09 125.34 57.09 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 126.175 1.79 . . . . 0.0 108.937 -169.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.36 -28.08 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.678 1.585 . . . . 0.0 113.152 -168.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -70.89 -45.6 64.05 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -50.5 68.26 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.065 172.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.33 -36.98 74.21 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.58 -50.74 72.3 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.2 95.0 5.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 15.7 mm -47.52 -40.08 25.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.54 -43.2 46.32 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.951 1.767 . . . . 0.0 113.699 172.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.0 ttp -79.94 -29.93 39.82 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.529 0.604 . . . . 0.0 111.604 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -57.35 -48.58 78.64 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.498 -0.751 . . . . 0.0 111.17 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -72.08 -29.34 64.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.264 1.426 . . . . 0.0 113.323 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -53.34 -43.44 67.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 167.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 7.6 t -58.94 -18.0 29.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.83 -4.2 21.05 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.725 1.61 . . . . 0.0 113.353 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 61.75 15.88 7.38 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.6 mt -94.72 11.84 29.9 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -60.86 15.32 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.471 ' HB3' ' HE2' ' A' ' 467' ' ' LYS . 22.2 ttpt -80.99 -38.52 27.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.589 1.185 . . . . 0.0 110.181 168.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -84.79 11.48 9.07 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.269 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 62.8 p -55.03 -40.96 70.76 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -77.32 -25.48 51.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.55 1.068 . . . . 0.0 112.449 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.83 -26.14 59.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 63.2 mt -106.64 -17.8 14.14 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.857 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 25.6 t -65.76 -15.85 63.24 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.67 -2.3 43.32 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 119.188 -0.784 . . . . 0.0 115.054 170.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -131.93 133.7 24.35 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.827 0.814 . . . . 0.0 109.477 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.0 159.4 50.32 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.717 1.611 . . . . 0.0 111.139 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.9 p-90 -61.44 -55.89 26.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.354 -172.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.47 -25.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -115.77 -29.47 6.4 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.88 -55.01 12.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.586 0.554 . . . . 0.0 109.91 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.49 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 42.2 pt -43.0 -35.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 174.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -83.95 7.82 17.11 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.14 171.02 1.08 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.19 0.995 . . . . 0.0 112.564 171.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -133.19 168.55 18.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.195 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.64 -43.49 89.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.06 -44.11 80.96 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.954 -0.466 . . . . 0.0 111.948 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.0 m -62.68 -39.01 92.63 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 110.936 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.44 -46.8 88.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.337 0.517 . . . . 0.0 111.109 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.95 -41.14 70.73 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 118.195 0.452 . . . . 0.0 112.084 175.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.82 -15.98 46.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -86.37 -13.43 46.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.35 11.16 8.26 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 119.229 -0.761 . . . . 0.0 114.136 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.4 t -101.35 67.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.83 -25.66 59.16 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.03 140.27 52.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.837 1.199 . . . . 0.0 111.815 174.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.09 -45.63 93.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.615 170.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.05 -65.27 3.7 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -174.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.74 -67.43 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 166.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -46.02 -56.61 5.31 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.94 -33.32 71.74 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.714 0.688 . . . . 0.0 112.707 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -74.99 -28.45 60.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.923 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.08 -49.8 74.5 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.81 1.187 . . . . 0.0 108.976 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.11 -37.98 75.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.819 0.736 . . . . 0.0 112.946 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -60.83 -61.66 2.42 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.281 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.95 -51.66 22.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.189 0.931 . . . . 0.0 112.626 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.6 m-30 -52.72 -49.95 64.37 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 129.823 3.249 . . . . 0.0 112.979 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.92 -29.83 75.96 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.069 -1.644 . . . . 0.0 111.88 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.41 -71.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.7 m -41.45 -55.71 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 118.843 -1.143 . . . . 0.0 113.853 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 30.7 mt -38.73 -46.42 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 170.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -59.12 -55.57 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.239 0.962 . . . . 0.0 109.324 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.38 -29.47 64.1 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -69.51 -42.2 75.04 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 118.059 0.391 . . . . 0.0 110.519 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.28 -17.06 58.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -87.27 -23.34 24.72 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.876 172.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.6 t70 87.87 16.47 0.08 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.244 2.215 . . . . 0.0 112.593 172.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.42 -6.6 53.98 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.22 137.9 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 521' ' ' SER . 12.8 t0 -75.56 9.11 2.39 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -171.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.269 50.0 mmt-85 49.22 11.21 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 118.695 2.85 . . . . 0.0 118.695 -168.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 519' ' ' ASP . 49.3 m -109.82 -9.83 14.79 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.116 173.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -72.42 -28.27 62.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 . . . . . 0 C--O 1.254 1.315 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.882 -174.581 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.4 mt . . . . . 0 N--CA 1.472 0.651 0 CA-C-O 120.628 0.251 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 57.5 p -67.12 16.43 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 130.276 3.431 . . . . 0.0 115.08 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -98.91 132.4 23.76 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.329 1.851 . . . . 0.0 109.802 -169.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.02 -27.48 25.16 Favored 'Trans proline' 0 C--N 1.346 0.403 0 CA-C-N 121.236 1.477 . . . . 0.0 113.335 -168.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -72.24 -39.93 68.1 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.7 -46.71 52.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.871 172.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 51.2 mt -57.75 -42.8 84.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 118.368 0.531 . . . . 0.0 111.479 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -66.45 -29.59 69.76 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.335 -1.478 . . . . 0.0 114.511 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -122.32 86.63 2.61 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 122.314 1.054 . . . . 0.0 113.026 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.0 mm -50.05 -40.24 53.65 Favored Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.97 -44.98 34.79 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.89 2.394 . . . . 0.0 114.745 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 7.4 mtm -78.35 -30.66 48.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 121.392 -0.817 . . . . 0.0 111.395 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -56.75 -38.07 71.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.837 0.827 . . . . 0.0 110.969 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -82.9 -31.38 27.86 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.188 1.795 . . . . 0.0 114.274 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -49.78 -51.23 40.87 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 91.0 p -65.66 -16.34 63.64 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 68.1 mt -90.17 -9.26 48.85 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.653 1.581 . . . . 0.0 113.578 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 53.8 mmm-85 62.38 24.8 14.79 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.9 14.42 28.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.008 -0.996 . . . . 0.0 112.545 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -67.44 27.08 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.56 -41.27 60.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 164.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . 0.255 22.6 m-85 -86.77 -177.29 6.07 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 112.691 -2.049 . . . . 0.0 106.881 169.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 3.0 m 154.34 -66.86 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -68.52 -26.47 65.45 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.727 0.299 . . . . 0.0 111.662 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.93 -26.56 64.2 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 122.388 1.09 . . . . 0.0 112.139 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.8 mt -104.95 -16.94 14.69 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 113.822 -1.536 . . . . 0.0 110.339 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.6 p -65.67 -23.05 66.7 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.14 1.4 11.62 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.576 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 47.0 m -133.78 128.26 19.77 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.67 159.98 49.45 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.968 1.779 . . . . 0.0 110.663 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.425 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.1 p-90 -61.34 -56.48 19.96 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.847 -171.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.425 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.1 tp -33.36 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 170.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -115.17 -28.26 7.01 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.2 tp -49.49 -55.58 12.78 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 109.707 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.461 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.328 36.9 pt -43.32 -37.06 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 173.597 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -77.9 5.44 9.68 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 170.75 0.62 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.372 1.082 . . . . 0.0 113.678 174.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -134.28 171.21 14.57 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.561 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.02 -43.42 91.56 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.953 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.97 -46.88 76.47 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 28.0 m -62.77 -38.43 90.57 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.865 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.14 -45.52 94.32 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.81 0.732 . . . . 0.0 111.657 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -37.11 62.48 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 119.023 0.829 . . . . 0.0 111.862 171.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -82.53 -18.43 41.53 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -73.04 -24.68 60.74 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.757 0.423 . . . . 0.0 111.213 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.82 4.49 16.83 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.828 0.705 . . . . 0.0 113.614 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.5 68.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -33.75 68.04 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.2 -0.937 . . . . 0.0 112.789 -168.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.42 136.14 55.31 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.332 0.514 . . . . 0.0 111.855 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.582 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.38 -67.28 2.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.96 -67.1 0.14 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 166.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -45.08 -56.31 4.82 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.2 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -75.08 -26.67 59.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.575 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.71 -47.68 80.14 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.636 1.107 . . . . 0.0 109.302 167.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.38 -38.94 75.03 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.775 0.716 . . . . 0.0 112.846 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -62.49 -57.75 10.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.404 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.17 -52.1 28.59 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.027 0.829 . . . . 0.0 112.483 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.461 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.5 m-30 -51.31 -46.28 62.51 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.55 3.14 . . . . 0.0 113.449 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.52 78.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 120.151 -1.593 . . . . 0.0 112.121 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 9.7 mt -70.67 -69.97 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.7 m -41.81 -55.76 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.723 -1.191 . . . . 0.0 113.94 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 26.4 mt -38.44 -46.11 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 CA-C-N 119.5 1.046 . . . . 0.0 113.682 170.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.04 -56.08 26.81 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.863 0.727 . . . . 0.0 109.51 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -58.4 -25.91 62.65 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -71.78 -43.15 66.19 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.482 0.583 . . . . 0.0 111.067 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -75.17 -20.05 59.53 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -84.49 -28.33 26.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.679 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . 0.263 29.2 t70 74.66 28.41 1.21 Allowed 'General case' 0 CA--C 1.552 1.019 0 O-C-N 124.698 1.249 . . . . 0.0 113.197 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.9 mp -83.22 -8.37 59.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 38.8 mt -74.9 158.53 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.104 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -84.58 140.54 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 122.399 1.095 . . . . 0.0 110.91 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -58.64 -16.5 16.41 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 114.152 -1.386 . . . . 0.0 114.726 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 20.1 m -75.78 -17.14 59.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.18 72.84 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.031 0.832 . . . . 0.0 112.099 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.909 -1.042 . . . . 0.0 113.244 -175.276 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 43.5 p -67.54 23.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 130.819 3.648 . . . . 0.0 114.888 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.81 130.51 23.67 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 127.165 2.186 . . . . 0.0 110.066 -170.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.81 -24.74 24.52 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.656 1.57 . . . . 0.0 113.286 -169.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -73.72 -45.74 50.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -53.25 55.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.018 172.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.9 mt -56.15 -42.4 76.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.04 -48.4 81.72 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.77 96.98 6.39 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 16.6 mm -45.86 -40.61 16.31 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.03 -44.71 36.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.148 1.899 . . . . 0.0 113.423 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.9 ttp -80.1 -30.12 39.13 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.293 0.497 . . . . 0.0 111.829 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -56.67 -48.02 78.53 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.683 -0.636 . . . . 0.0 111.05 166.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.09 -27.79 61.06 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.025 1.33 . . . . 0.0 113.64 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -54.19 -40.55 67.67 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.762 -0.587 . . . . 0.0 112.409 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 67.7 m -69.71 14.58 0.1 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 81.6 mt -138.66 -12.02 1.33 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.789 2.435 . . . . 0.0 112.689 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.265 1.4 mpt_? 62.04 24.93 14.91 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 123.273 1.511 . . . . 0.0 114.784 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 69.0 mt -104.98 14.77 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 111.878 -2.419 . . . . 0.0 109.046 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -63.96 7.32 0.13 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.08 -30.55 49.67 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -89.59 12.54 16.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.047 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 47.4 t -47.51 -54.06 12.65 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.47 -17.39 59.32 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.32 -17.17 59.56 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.877 174.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 74.4 mt -121.22 -14.99 8.26 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.221 -174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.7 p -64.63 -21.47 66.73 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.12 -1.07 39.13 Favored Glycine 0 CA--C 1.538 1.483 0 CA-C-O 119.103 -0.831 . . . . 0.0 115.141 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.5 m -130.16 127.94 22.68 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 118.194 0.997 . . . . 0.0 109.438 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.64 160.85 48.1 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.424 2.083 . . . . 0.0 111.354 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.422 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 35.5 p-90 -61.11 -53.98 50.33 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.066 -169.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.422 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -35.35 -27.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 172.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.33 -32.6 6.21 Favored 'General case' 0 C--O 1.226 -0.152 0 O-C-N 123.575 0.547 . . . . 0.0 112.395 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.21 -56.82 8.07 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.552 0.691 . . . . 0.0 110.229 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.457 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.311 38.9 pt -41.91 -37.64 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -76.18 -2.12 29.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.89 169.33 1.48 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -129.02 168.32 16.21 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.252 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.17 -41.83 89.35 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.02 -47.57 79.72 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 122.307 -0.246 . . . . 0.0 111.264 173.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 11.4 m -61.8 -36.51 81.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.566 -0.731 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.55 1.068 . . . . 0.0 111.256 171.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -34.08 57.41 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.766 -0.584 . . . . 0.0 112.053 172.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -85.69 -18.1 34.09 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -23.12 56.31 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.148 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 114.08 17.28 7.36 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 124.162 0.914 . . . . 0.0 113.622 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 22.7 t -107.59 63.37 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.31 -32.71 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.678 -168.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.82 141.5 48.02 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.665 0.666 . . . . 0.0 112.118 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -44.49 93.88 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 174.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.69 -66.31 2.93 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.78 -62.64 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 166.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -48.43 -56.8 7.25 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.07 -32.25 70.77 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.948 0.795 . . . . 0.0 112.656 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.92 -34.62 71.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.403 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.33 -52.41 64.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.325 0.966 . . . . 0.0 110.37 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.95 -36.28 74.55 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.719 0.771 . . . . 0.0 112.44 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -59.8 -59.15 5.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.718 168.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.16 -48.34 45.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.199 0.937 . . . . 0.0 112.009 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.457 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.7 m-30 -57.21 -45.21 84.0 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 129.817 3.247 . . . . 0.0 113.712 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.3 -29.81 74.71 Favored Glycine 0 CA--C 1.527 0.801 0 O-C-N 119.814 -1.804 . . . . 0.0 111.802 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.59 -70.45 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 5.2 m -41.83 -56.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 117.813 -1.089 . . . . 0.0 113.709 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 32.4 mt -39.43 -45.05 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 120.2 1.363 . . . . 0.0 113.405 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.7 -55.45 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.7 -29.86 62.87 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 172.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -72.06 -41.27 67.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.233 0.54 . . . . 0.0 111.639 176.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -69.51 -12.47 61.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.436 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -102.59 -22.28 14.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.554 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.34 26.58 2.63 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.41 1.069 . . . . 0.0 113.593 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.11 -8.71 59.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.25 154.34 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.325 1.059 . . . . 0.0 109.426 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.65 125.33 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.502 -1.226 . . . . 0.0 108.501 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -61.51 -7.69 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 40.7 m -71.33 -14.99 62.38 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 169.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.22 64.11 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.797 -169.907 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -68.79 18.51 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 128.64 2.776 . . . . 0.0 114.789 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.73 128.99 29.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 C-N-CA 125.441 1.496 . . . . 0.0 110.333 -169.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.19 -32.39 82.69 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.762 2.308 . . . . 0.0 114.165 -171.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -79.09 -32.61 44.75 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.304 0.241 . . . . 0.0 110.579 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.77 -49.85 35.25 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.41 0.284 . . . . 0.0 110.583 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.08 -38.07 72.79 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.77 -47.54 65.94 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.096 -1.003 . . . . 0.0 112.85 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -98.02 83.02 3.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.501 0.667 . . . . 0.0 112.009 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 28.8 mm -46.29 -40.41 18.14 Favored Pre-proline 0 N--CA 1.486 1.328 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.39 -36.08 68.86 Favored 'Trans proline' 0 C--N 1.353 0.775 0 CA-C-N 122.6 1.964 . . . . 0.0 112.919 174.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.3 ttp -77.45 -26.27 51.32 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.06 0.845 . . . . 0.0 111.706 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.6 -50.01 75.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.785 -0.572 . . . . 0.0 110.652 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -70.33 -27.15 64.14 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.437 1.095 . . . . 0.0 113.688 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -55.49 -42.26 74.17 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 167.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 47.6 m -66.74 14.88 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 175.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 86.4 mt -139.27 -16.04 1.08 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.854 2.462 . . . . 0.0 112.725 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 61.32 25.67 15.6 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 123.097 1.427 . . . . 0.0 114.343 -173.42 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' A' ' 467' ' ' LYS . 49.3 mt -105.48 13.97 29.35 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 111.988 -2.369 . . . . 0.0 108.698 168.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -64.48 11.31 0.05 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 465' ' ' LEU . 15.5 tppt? -71.19 -36.16 71.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.266 1.031 . . . . 0.0 109.869 171.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -94.75 16.11 16.63 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.151 -1.841 . . . . 0.0 111.15 -170.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -53.49 -38.24 63.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.99 -26.85 43.31 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.854 0.752 . . . . 0.0 112.347 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.08 62.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.271 0.557 . . . . 0.0 111.019 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.0 mt -107.07 -13.84 15.08 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.283 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 45.4 t -61.19 -24.08 66.06 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.87 2.88 10.94 Favored Glycine 0 CA--C 1.541 1.66 0 N-CA-C 115.746 1.058 . . . . 0.0 115.746 173.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 76.7 m -137.76 127.87 15.43 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 118.51 1.155 . . . . 0.0 109.817 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.46 158.95 50.29 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.203 1.935 . . . . 0.0 111.241 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.449 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.0 p-90 -60.23 -56.31 23.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 118.971 -0.537 . . . . 0.0 111.068 -172.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.5 tp -34.84 -26.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 172.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -114.77 -33.42 5.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.788 0.435 . . . . 0.0 111.675 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.7 tp -45.57 -57.91 3.81 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.825 0.703 . . . . 0.0 110.78 174.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.498 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.312 42.1 pt -42.12 -35.23 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.136 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.95 2.99 28.13 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -57.44 168.34 0.82 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 175.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -127.09 166.88 16.79 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.833 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.77 -37.95 86.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.259 -0.276 . . . . 0.0 111.368 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.4 m -60.09 -38.77 83.92 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.26 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -51.43 67.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.703 0.683 . . . . 0.0 111.202 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.71 -40.5 72.5 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.01 -11.62 56.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -92.95 -15.65 26.04 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 120.41 12.53 6.17 Favored Glycine 0 N--CA 1.475 1.247 0 CA-C-O 119.886 -0.397 . . . . 0.0 114.041 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.8 64.55 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -28.9 66.33 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -166.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.85 142.15 47.98 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.322 0.965 . . . . 0.0 112.199 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.0 -41.35 99.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.345 168.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.16 -68.32 1.75 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.42 -65.06 0.19 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -56.93 -45.71 82.55 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -170.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 46.5 ttm-85 -63.63 -34.09 77.05 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.654 0.661 . . . . 0.0 111.881 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -69.44 -31.6 70.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.915 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.31 -47.73 81.01 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.633 1.106 . . . . 0.0 110.384 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.27 -37.62 78.08 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -64.44 -55.95 17.44 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.186 171.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.2 -48.44 45.28 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.209 0.943 . . . . 0.0 112.037 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.498 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.6 m-30 -55.22 -48.25 74.18 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 128.925 2.89 . . . . 0.0 113.533 172.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.54 -29.22 73.97 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 119.987 -1.696 . . . . 0.0 112.026 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.6 mt -71.03 -70.32 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.3 m -41.67 -56.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 C-N-CA 118.716 -1.193 . . . . 0.0 113.624 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 37.6 mt -38.93 -44.71 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.02 -54.64 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.981 0.801 . . . . 0.0 109.086 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -57.72 -29.31 64.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.35 -41.18 73.49 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 118.322 0.51 . . . . 0.0 111.017 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -76.9 -18.06 58.55 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -85.59 -22.46 28.03 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.563 170.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 14.6 t70 83.87 15.89 0.26 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 125.747 1.904 . . . . 0.0 112.751 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.09 -5.88 46.56 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.25 132.89 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.613 0.72 . . . . 0.0 111.307 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 521' ' ' SER . 10.7 m-20 -70.3 9.42 0.6 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -172.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.257 37.6 mmt-85 51.98 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.348 0.51 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 -168.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 519' ' ' ASP . 34.0 m -93.2 -15.86 25.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.509 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.19 -27.72 63.71 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.999 -176.645 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.853 0.359 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 74.2 p -69.17 15.94 0.06 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 131.256 3.822 . . . . 0.0 114.399 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.7 131.64 28.94 Favored Pre-proline 0 N--CA 1.467 0.419 0 C-N-CA 127.057 2.143 . . . . 0.0 109.967 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.6 -25.04 21.31 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.472 1.448 . . . . 0.0 113.474 -169.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -73.78 -41.06 62.95 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.02 -52.07 27.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.577 172.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.88 -40.17 75.7 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.29 -40.91 96.91 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.11 87.05 2.42 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.0 mm -46.78 -41.93 30.51 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.11 -38.63 94.55 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.705 2.27 . . . . 0.0 114.988 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.7 ttp -81.9 -29.04 32.55 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.757 -0.589 . . . . 0.0 111.174 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -58.13 -47.17 84.12 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.951 -0.468 . . . . 0.0 111.027 166.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.6 tp -66.24 -23.47 66.42 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -54.55 -41.1 69.39 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 166.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.2 m -68.44 -14.42 62.99 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.82 -4.1 33.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.973 1.309 . . . . 0.0 112.985 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.292 21.8 mmt180 58.89 38.75 24.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.654 1.216 . . . . 0.0 113.826 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.77 -59.38 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 112.026 -2.352 . . . . 0.0 107.411 167.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 30.13 30.47 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -176.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -118.17 -39.07 3.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.624 0.726 . . . . 0.0 110.316 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -82.66 14.47 3.12 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.756 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 14.6 m -53.77 -31.44 48.66 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.94 -27.29 30.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.943 0.792 . . . . 0.0 112.497 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 122.215 1.007 . . . . 0.0 111.017 174.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.8 mt -95.54 -11.59 27.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.062 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 13.1 t -68.37 174.99 3.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.796 0.808 . . . . 0.0 110.925 167.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.93 5.39 39.4 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 121.646 -0.659 . . . . 0.0 112.781 -167.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.4 m -137.27 117.86 10.67 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -70.27 160.91 47.93 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.329 2.019 . . . . 0.0 110.44 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -61.65 -55.73 27.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.126 -171.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -33.83 -27.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 170.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -113.35 -28.84 7.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 12.1 tp -51.36 -54.77 23.15 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.722 0.772 . . . . 0.0 109.441 177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.49 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.324 37.8 pt -43.46 -34.92 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 173.033 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -81.44 4.81 19.68 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.16 168.12 1.51 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 122.492 1.139 . . . . 0.0 112.819 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.0 168.25 15.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.535 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -58.3 -43.99 88.32 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.83 -44.39 96.94 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.955 -0.466 . . . . 0.0 111.621 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.6 m -66.83 -35.66 80.56 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.357 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -45.73 93.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.253 1.388 . . . . 0.0 110.687 171.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -37.11 62.96 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.611 -0.681 . . . . 0.0 111.613 171.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -84.82 -17.92 36.58 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -72.02 -35.03 69.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.427 0.558 . . . . 0.0 110.517 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 126.58 19.5 2.06 Favored Glycine 0 CA--C 1.535 1.337 0 O-C-N 124.253 0.97 . . . . 0.0 113.292 -169.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.76 63.65 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -176.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -31.95 69.07 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 114.471 -1.24 . . . . 0.0 114.129 -168.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.25 142.92 52.27 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.575 0.625 . . . . 0.0 110.538 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.54 -44.8 89.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.987 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.03 -64.05 4.4 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.81 -62.9 0.28 Allowed 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.544 0.791 . . . . 0.0 112.965 167.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 32.6 ttp-105 -53.84 -50.3 66.52 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -60.11 -37.43 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 111.947 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -65.16 -32.23 73.81 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.846 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.35 -47.91 69.05 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.758 0.708 . . . . 0.0 110.549 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.36 -38.73 81.16 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.091 0.86 . . . . 0.0 113.103 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -62.71 -56.66 15.57 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.602 172.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.5 43.14 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 124.202 0.939 . . . . 0.0 112.64 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -54.35 -46.41 72.93 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 128.847 2.859 . . . . 0.0 113.281 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 -30.01 75.87 Favored Glycine 0 CA--C 1.525 0.711 0 O-C-N 119.842 -1.786 . . . . 0.0 112.015 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.77 -70.86 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 5.0 m -41.87 -57.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 CA-C-O 117.655 -1.164 . . . . 0.0 113.755 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 42.6 mt -39.4 -45.16 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 CA-C-N 120.018 1.281 . . . . 0.0 112.926 170.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.44 -54.96 41.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -59.47 -29.84 68.1 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -68.94 -42.57 76.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.447 0.567 . . . . 0.0 110.411 176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.95 -13.27 62.16 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.367 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -97.77 -21.39 16.99 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.329 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.23 20.89 1.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.912 1.383 . . . . 0.0 113.126 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -4.95 46.71 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.35 139.81 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.659 0.742 . . . . 0.0 110.514 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -75.49 148.58 38.89 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 123.037 1.399 . . . . 0.0 110.326 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -67.31 -6.82 20.32 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 49.2 m -98.3 -9.01 26.12 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.7 73.39 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.723 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.546 -178.72 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -62.74 20.24 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 130.683 3.593 . . . . 0.0 114.947 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.99 128.22 32.82 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 126.915 2.086 . . . . 0.0 109.324 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.76 -23.81 30.37 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 121.812 1.675 . . . . 0.0 113.627 -168.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -48.46 79.81 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.071 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.77 -40.05 78.86 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.28 -49.36 78.12 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.205 -0.934 . . . . 0.0 113.481 171.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.03 101.15 8.5 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.685 1.231 . . . . 0.0 113.848 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.97 -37.3 13.45 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-N 113.086 -1.87 . . . . 0.0 115.515 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -54.06 -38.19 87.0 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.584 2.189 . . . . 0.0 115.042 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 39.5 mtp -76.63 -41.02 47.44 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.259 -0.9 . . . . 0.0 110.753 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -53.02 -48.48 67.53 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.216 0.531 . . . . 0.0 112.231 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.03 -25.04 61.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.855 1.662 . . . . 0.0 113.476 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.14 -48.33 44.84 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -58.74 -16.85 18.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 125.687 1.867 . . . . 0.0 115.524 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 78.7 mt -101.79 -8.26 21.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.318 1.447 . . . . 0.0 113.94 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.255 34.2 mmt180 64.32 14.73 8.95 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -170.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 467' ' ' LYS . 88.1 mt -99.59 13.98 31.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.178 175.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -62.76 13.17 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 465' ' ' LEU . 16.9 tppt? -78.87 -33.86 45.46 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.726 0.774 . . . . 0.0 108.913 167.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -91.82 11.29 25.26 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.778 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 57.8 m -51.54 -35.14 39.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.78 -26.15 44.41 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 112.736 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -77.99 -21.34 51.0 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.194 0.521 . . . . 0.0 110.697 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.3 -15.79 13.88 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.904 -175.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 38.6 t -72.18 -12.5 61.2 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -72.62 1.83 34.86 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 114.603 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 4.0 m -138.78 134.09 16.96 Favored Pre-proline 0 N--CA 1.474 0.726 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.52 161.28 44.56 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.443 2.095 . . . . 0.0 111.368 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.443 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -61.94 -56.56 17.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.477 -172.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.443 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -34.08 -26.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 171.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -115.34 -27.92 7.06 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.404 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.9 tp -48.94 -55.78 10.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.673 0.749 . . . . 0.0 109.677 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.499 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.329 38.1 pt -42.97 -36.31 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 174.007 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -80.12 2.19 25.03 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.16 169.65 1.52 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 122.493 1.14 . . . . 0.0 112.793 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -130.73 167.37 18.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.673 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.59 -43.6 84.76 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.31 -45.27 76.99 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.929 -0.482 . . . . 0.0 111.885 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 48.3 m -62.04 -40.53 96.08 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.848 -0.532 . . . . 0.0 110.595 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.56 -47.43 86.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.976 0.353 . . . . 0.0 111.174 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -53.0 -41.25 64.45 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 117.973 0.351 . . . . 0.0 111.702 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.15 -11.78 57.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -88.35 -12.34 43.67 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.02 16.58 6.7 Favored Glycine 0 N--CA 1.474 1.215 0 O-C-N 123.56 0.537 . . . . 0.0 113.527 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.6 t -109.04 64.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.4 -26.78 61.13 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.366 -1.288 . . . . 0.0 114.289 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.67 140.5 44.27 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.555 0.616 . . . . 0.0 111.547 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.72 -44.23 93.81 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.17 168.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.28 -66.18 3.03 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.72 -67.84 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 O-C-N 124.833 0.961 . . . . 0.0 113.13 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -46.53 -54.85 8.52 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -59.02 -36.18 74.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.62 -27.9 64.43 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 118.098 -0.954 . . . . 0.0 112.549 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.51 -49.63 68.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.3 0.954 . . . . 0.0 109.596 169.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.11 -37.31 74.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -63.27 -58.89 5.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.789 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.91 50.05 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.161 0.913 . . . . 0.0 112.348 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.499 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.57 -49.63 75.76 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 130.258 3.423 . . . . 0.0 113.203 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.81 -29.73 75.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 119.778 -1.826 . . . . 0.0 111.812 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 26.3 mt -70.51 -71.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.1 m -41.4 -54.97 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.303 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 41.5 mt -38.93 -47.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-N 119.824 1.193 . . . . 0.0 113.528 170.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.04 -55.29 37.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.985 0.898 . . . . 0.0 109.741 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -58.7 -27.68 65.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -68.88 -45.3 71.34 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 122.9 0.48 . . . . 0.0 110.759 174.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.06 -19.31 61.2 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -88.88 -25.68 22.01 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.161 172.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.53 27.08 3.92 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.586 1.179 . . . . 0.0 113.061 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.09 -7.18 56.64 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.92 157.37 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.071 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.42 139.37 39.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.283 1.039 . . . . 0.0 109.589 174.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.57 -12.54 33.63 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 18.4 m -75.93 -15.96 60.09 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.4 75.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.359 0.981 . . . . 0.0 112.074 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--O 1.252 1.228 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.948 -176.726 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.809 0.337 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 68.4 p -71.06 15.88 0.1 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.443 3.497 . . . . 0.0 115.334 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.81 134.3 23.27 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 126.175 1.79 . . . . 0.0 110.241 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.65 -24.83 25.15 Favored 'Trans proline' 0 C--N 1.345 0.373 0 CA-C-N 121.345 1.516 . . . . 0.0 113.347 -169.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -75.65 -40.77 55.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.19 -49.87 52.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.974 170.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.21 -38.98 81.23 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.205 0.457 . . . . 0.0 111.991 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -73.17 -26.33 61.14 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 171.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -118.39 83.05 1.95 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.505 0.669 . . . . 0.0 111.687 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.2 mm -49.04 -41.68 55.63 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -172.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.36 -37.1 88.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.653 2.235 . . . . 0.0 114.035 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 27.5 ttp -81.33 -30.63 33.79 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.837 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -57.06 -50.26 73.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.509 0.671 . . . . 0.0 111.387 168.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.0 tp -62.95 -27.96 69.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.666 1.186 . . . . 0.0 112.364 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 466' ' ' HIS . 0.9 OUTLIER -56.95 -7.08 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.462 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.4 m -99.26 5.62 46.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.85 -13.42 6.37 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -174.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . 0.44 ' HA ' ' NE2' ' A' ' 466' ' ' HIS 0.372 46.1 mmt-85 64.97 30.4 11.87 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 123.325 1.536 . . . . 0.0 114.029 -171.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.427 ' C ' ' H ' ' A' ' 467' ' ' LYS . 56.8 mt -116.57 11.54 14.79 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 111.364 -2.653 . . . . 0.0 110.632 173.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 461' ' ' LYS . 2.6 p80 -69.3 20.39 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -177.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 465' ' ' LEU . 26.8 mmmt -91.7 -26.82 18.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.023 168.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -89.93 10.65 23.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.938 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -50.85 -35.6 33.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.25 -27.77 47.66 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.542 1.064 . . . . 0.0 112.57 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.96 -27.64 61.95 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.395 0.617 . . . . 0.0 110.55 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 59.6 mt -104.1 -16.75 15.17 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.126 -174.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 43.7 t -66.43 -19.35 65.77 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.84 0.08 23.23 Favored Glycine 0 CA--C 1.542 1.729 0 N-CA-C 115.756 1.063 . . . . 0.0 115.756 174.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 55.1 m -137.11 133.0 18.3 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.954 0.877 . . . . 0.0 109.376 -177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.34 160.23 49.38 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.985 1.79 . . . . 0.0 111.185 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.9 p-90 -60.35 -57.64 11.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.952 -0.547 . . . . 0.0 110.62 -171.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.7 tp -34.39 -26.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 171.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -114.33 -30.82 6.47 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.2 tp -47.93 -56.66 7.08 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.78 0.8 . . . . 0.0 109.817 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.488 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.322 38.5 pt -43.07 -35.7 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 174.269 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -80.13 0.49 31.97 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.34 170.72 0.91 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.255 1.026 . . . . 0.0 113.646 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -128.03 165.59 20.02 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.356 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -57.71 -41.4 81.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.6 -41.67 79.27 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.777 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 8.8 m -62.68 -39.39 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.436 -0.79 . . . . 0.0 110.954 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 499' ' ' ARG . 4.2 mp -54.69 -54.77 37.38 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.413 173.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.48 -29.86 70.9 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 121.193 1.815 . . . . 0.0 113.284 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -73.76 -16.93 61.15 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -88.83 -13.76 38.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.99 14.39 7.89 Favored Glycine 0 N--CA 1.476 1.351 0 O-C-N 123.662 0.601 . . . . 0.0 113.966 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -107.2 65.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 122.519 1.152 . . . . 0.0 108.156 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -38.6 77.24 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.612 -1.176 . . . . 0.0 113.174 -168.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.9 134.23 49.31 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -59.42 -41.54 89.77 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.31 -67.3 2.27 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.54 -62.32 0.35 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 166.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . 0.402 ' HA ' HD23 ' A' ' 488' ' ' LEU . 8.5 ttm180 -49.98 -58.71 4.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -59.51 -33.56 71.5 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.743 0.702 . . . . 0.0 111.921 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.85 -32.66 71.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.65 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.05 -49.64 75.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.364 0.984 . . . . 0.0 110.28 168.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.55 -34.83 74.71 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.866 0.841 . . . . 0.0 112.964 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.25 -58.83 6.27 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.148 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.09 -45.69 32.92 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.029 0.831 . . . . 0.0 112.223 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.488 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.3 m-30 -58.35 -46.67 85.83 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 129.889 3.276 . . . . 0.0 113.208 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.26 74.85 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 119.803 -1.81 . . . . 0.0 111.896 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.8 mt -69.75 -71.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.8 m -41.36 -56.83 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.676 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 36.7 mt -39.29 -45.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 119.694 1.133 . . . . 0.0 113.301 170.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.57 -54.64 44.77 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.6 -29.47 68.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 174.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -67.36 -44.58 78.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.648 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.19 -10.76 60.3 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.409 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.72 -21.38 13.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.453 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.3 t70 71.73 25.34 3.25 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.308 1.005 . . . . 0.0 113.193 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.57 -6.7 56.26 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 45.1 mt -79.93 157.06 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 122.553 1.168 . . . . 0.0 109.677 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -75.69 140.89 42.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.82 1.295 . . . . 0.0 110.468 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . 0.433 ' HA ' ' CE2' ' A' ' 523' ' ' TYR 0.263 15.7 tpt85 -50.95 -28.46 9.85 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 112.51 -2.132 . . . . 0.0 113.266 170.608 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 22.2 m -72.78 -14.64 61.57 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.88 60.67 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.691 1.132 . . . . 0.0 111.513 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.433 ' CE2' ' HA ' ' A' ' 520' ' ' ARG . 13.1 m-30 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.98 -173.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.419 ' HB3' ' HE1' ' A' ' 459' ' ' TRP . 2.1 mm? . . . . . 0 CA--C 1.534 0.329 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 16.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 1 C-N-CA 133.41 4.684 . . . . 0.0 114.277 -174.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.25 121.32 63.99 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 126.446 1.899 . . . . 0.0 109.129 -171.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.44 -22.52 38.94 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.161 1.907 . . . . 0.0 112.908 -169.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -71.47 -53.43 13.98 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -60.26 -47.25 86.79 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.663 175.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.26 -41.49 88.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -59.01 -50.55 73.68 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.43 -0.794 . . . . 0.0 112.833 170.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.25 98.35 7.06 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.952 1.358 . . . . 0.0 113.54 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.1 mm -45.43 -39.41 10.01 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.273 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.95 -44.73 26.84 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.695 2.264 . . . . 0.0 115.577 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.6 mtp -80.25 -31.7 38.43 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.838 0.745 . . . . 0.0 111.027 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' TRP . . . . . 0.419 ' HE1' ' HB3' ' A' ' 447' ' ' LEU . 54.4 t90 -52.12 -49.86 62.83 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.51 -0.744 . . . . 0.0 112.531 170.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.01 -28.33 65.41 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 173.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -53.34 -46.96 69.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.137 1.335 . . . . 0.0 112.98 173.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.9 m -65.15 -2.3 2.8 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.5 mt -120.44 -2.88 9.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.245 1.818 . . . . 0.0 114.293 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 62.19 13.26 5.7 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -169.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 92.1 mt -95.87 10.63 36.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.411 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -66.83 13.78 0.05 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -88.84 -28.44 20.4 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 171.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -99.7 6.44 45.57 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.024 -175.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 56.3 m -49.73 -36.12 24.48 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.52 -31.47 47.58 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.57 -17.87 63.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.121 174.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 46.4 mt -112.54 -13.27 13.35 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.762 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.2 t -67.76 -21.0 65.29 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -68.21 -0.57 16.33 Favored Glycine 0 CA--C 1.54 1.653 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.789 170.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.4 m -134.37 128.83 19.44 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 117.854 0.827 . . . . 0.0 109.506 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.14 161.53 44.37 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.269 1.98 . . . . 0.0 111.231 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 32.2 p-90 -61.05 -56.94 15.08 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.481 -171.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.6 tp -34.36 -27.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 171.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -109.4 -34.55 6.5 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.993 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.431 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.8 tp -46.16 -57.61 4.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 124.132 0.895 . . . . 0.0 110.49 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.508 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.332 37.3 pt -42.66 -35.7 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 175.184 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -81.43 2.03 30.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -59.28 167.94 1.64 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.418 1.104 . . . . 0.0 113.229 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -127.78 164.77 21.44 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.027 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -58.74 -38.79 79.18 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.21 -41.8 76.61 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 23.6 m -62.73 -39.76 95.07 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 120.973 -1.08 . . . . 0.0 110.731 173.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -55.31 29.39 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.025 174.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -65.01 -28.1 69.27 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 121.456 1.935 . . . . 0.0 114.051 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.42 -11.57 59.91 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.945 -1.097 . . . . 0.0 113.658 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.01 -12.76 21.57 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 119.79 11.5 7.07 Favored Glycine 0 N--CA 1.477 1.4 0 O-C-N 123.282 0.364 . . . . 0.0 113.919 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.13 62.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.683 1.23 . . . . 0.0 108.388 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -32.97 74.73 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -168.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.67 144.18 56.53 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.451 0.643 . . . . 0.0 111.122 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -35.1 76.64 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.62 -0.675 . . . . 0.0 111.05 169.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.44 -63.61 4.54 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.7 -68.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.946 1.027 . . . . 0.0 113.578 168.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -55.87 -45.29 78.56 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.993 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.23 -34.17 75.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.988 0.813 . . . . 0.0 112.117 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.74 -34.93 77.81 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.927 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.62 -51.69 64.15 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.658 0.663 . . . . 0.0 110.021 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -36.49 73.83 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt -63.96 -56.65 13.6 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.35 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -52.23 -45.5 65.32 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 122.426 1.107 . . . . 0.0 112.351 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.508 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.2 m-30 -54.69 -37.66 66.08 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 128.356 2.662 . . . . 0.0 112.608 169.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.23 -32.31 75.99 Favored Glycine 0 CA--C 1.524 0.605 0 O-C-N 119.753 -1.842 . . . . 0.0 112.549 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 2.3 mp -63.31 -72.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 119.709 1.754 . . . . 0.0 109.201 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.2 m -41.54 -60.19 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-O 118.013 -0.994 . . . . 0.0 113.369 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 27.6 mt -38.55 -46.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.46 -56.85 16.45 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.18 -28.69 65.01 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.11 -42.74 72.24 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 122.647 0.379 . . . . 0.0 110.273 177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.46 -21.76 59.44 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -83.73 -22.18 32.06 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.889 171.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.2 t70 73.96 22.88 2.32 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 124.925 1.391 . . . . 0.0 113.058 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -3.95 45.23 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.0 mm -57.25 143.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.716 0.77 . . . . 0.0 109.939 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 521' ' ' SER . 12.8 m-20 -69.0 3.29 2.11 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 177.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.294 14.5 mmt180 47.29 7.64 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 118.831 2.9 . . . . 0.0 118.831 -167.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 519' ' ' ASP . 66.8 m -104.73 -12.52 16.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.633 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.32 -27.43 67.15 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 172.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--O 1.255 1.375 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -175.202 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.2 166.98 28.26 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.213 2.608 . . . . 0.0 112.296 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -134.06 -10.96 2.6 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 50.9 m -141.17 -80.33 0.25 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.703 1.201 . . . . 0.0 111.702 -175.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 21.6 mt 63.4 -37.65 0.17 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 129.322 3.049 . . . . 0.0 115.47 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.4 p -68.63 27.26 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 130.734 3.614 . . . . 0.0 113.645 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -108.03 126.78 28.96 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 126.974 2.11 . . . . 0.0 108.985 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -70.44 -24.84 26.12 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 121.924 1.749 . . . . 0.0 113.235 -168.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.06 -41.8 61.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -48.68 64.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 171.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.8 -43.12 90.46 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.475 0.58 . . . . 0.0 112.092 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -68.11 -29.68 68.66 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.36 82.99 1.84 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.291 0.567 . . . . 0.0 111.827 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 33.8 mm -46.11 -42.71 28.62 Favored Pre-proline 0 N--CA 1.486 1.341 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.56 -41.74 59.23 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 122.558 2.172 . . . . 0.0 114.255 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.6 ttp -84.12 -26.0 29.25 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.744 -0.598 . . . . 0.0 111.883 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -58.64 -46.7 86.56 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.574 0.702 . . . . 0.0 110.161 166.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.27 -25.76 59.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.057 1.743 . . . . 0.0 114.385 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -54.42 -47.82 72.36 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.4 m -64.82 -2.7 2.71 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.3 mt -119.86 2.04 11.03 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.561 1.945 . . . . 0.0 113.653 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 57.99 16.39 3.72 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 20.4 mt -104.33 7.1 35.67 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -60.08 6.15 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -86.23 -28.52 23.79 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.596 0.712 . . . . 0.0 109.984 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -91.96 12.3 22.23 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.877 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 80.5 p -57.79 -32.05 67.15 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.951 -1.093 . . . . 0.0 113.776 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.95 -25.95 40.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.376 0.989 . . . . 0.0 112.329 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.79 -28.02 60.56 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.902 0.858 . . . . 0.0 111.271 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.06 -13.08 18.36 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.142 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 21.6 t -69.95 174.96 4.74 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.567 0.699 . . . . 0.0 111.343 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.07 8.42 49.5 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.534 -0.729 . . . . 0.0 113.168 -168.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 44.3 m -139.29 121.05 9.98 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.94 160.76 46.84 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.108 1.872 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.3 p-90 -61.2 -56.51 19.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.276 -173.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.42 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -34.17 -26.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -113.05 -38.76 4.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.757 0.423 . . . . 0.0 111.903 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 6.6 tp -45.51 -60.14 2.34 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.524 0.515 . . . . 0.0 109.723 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.502 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.276 38.8 pt -41.13 -36.39 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 176.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -74.77 -6.13 47.19 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 155.34 0.97 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 124.458 2.075 . . . . 0.0 115.493 172.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -113.27 166.68 11.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 109.446 -3.525 . . . . 0.0 111.413 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.41 -41.14 72.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.58 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.827 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 5.7 m -58.2 -44.98 88.37 Favored 'General case' 0 C--O 1.223 -0.322 0 O-C-N 121.44 -0.788 . . . . 0.0 110.689 173.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -48.49 81.45 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.526 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -64.43 -27.95 69.34 Favored 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 118.81 -2.431 . . . . 0.0 113.086 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -78.63 -19.53 52.44 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -74.4 -31.68 62.42 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.289 0.495 . . . . 0.0 110.926 172.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 122.27 14.57 4.45 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.853 0.721 . . . . 0.0 113.662 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -102.39 63.87 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 122.188 0.994 . . . . 0.0 108.48 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.17 -29.64 64.21 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -168.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.69 139.71 58.8 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.863 0.756 . . . . 0.0 111.201 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.64 -44.14 94.74 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.121 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -63.05 -59.49 8.98 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.16 -69.46 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 167.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.01 -45.67 79.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -57.46 -38.96 75.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.697 0.399 . . . . 0.0 111.645 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.83 -25.22 56.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.123 -0.942 . . . . 0.0 112.243 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.78 -48.98 74.72 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 119.631 1.105 . . . . 0.0 109.114 167.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.8 mt -57.42 -37.48 72.84 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -62.62 -60.11 3.98 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.38 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.54 -47.4 39.26 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.078 0.861 . . . . 0.0 112.194 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.502 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.7 m-30 -58.15 -47.05 84.56 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 129.347 3.059 . . . . 0.0 113.911 174.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.54 -29.66 75.77 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 119.877 -1.765 . . . . 0.0 111.716 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.5 mt -70.73 -70.69 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 5.7 m -42.08 -56.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.564 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 35.7 mt -39.8 -44.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 CA-C-N 119.645 1.111 . . . . 0.0 113.348 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.38 -55.12 39.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.95 -28.58 67.76 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.698 1.369 . . . . 0.0 114.698 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -67.08 -45.45 77.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.512 0.672 . . . . 0.0 110.703 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -71.04 -12.08 61.32 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.493 -1.231 . . . . 0.0 112.407 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -102.66 -19.9 14.62 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.234 -0.889 . . . . 0.0 112.096 174.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.8 t70 77.57 18.74 1.28 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 124.686 1.241 . . . . 0.0 113.455 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.3 mp -76.12 -10.02 59.08 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 36.3 mt -79.68 152.86 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 122.39 1.09 . . . . 0.0 110.227 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.45 147.51 32.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.523 1.154 . . . . 0.0 110.141 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 41.9 mmt-85 -63.04 -15.37 56.27 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.51 -1.223 . . . . 0.0 114.096 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 16.3 m -76.7 -16.72 59.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.9 77.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.361 0.982 . . . . 0.0 111.833 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.253 1.279 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.176 -175.679 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 C4'-C3'-C2' 99.422 -3.278 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.857 0 C4'-C3'-C2' 98.969 -3.731 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.955 1 C4'-C3'-C2' 98.476 -4.224 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C5'-C4'-O4' 114.244 3.603 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C5'-C4'-O4' 113.227 2.877 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.948 0 C5'-C4'-C3' 109.591 -3.94 . 0.855 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 0 C4'-C3'-C2' 99.729 -2.971 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O4'-C1'-N19 111.841 3.641 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C5'-C4'-C3' 110.969 -3.021 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.396 4 C5'-C4'-C3' 106.687 -5.875 . 0.455 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.475 0 O5'-C5'-C4' 112.997 1.998 . 0.08 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 1 O5'-C5'-C4' 116.382 4.416 . 0.43 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 C5'-C4'-C3' 110.529 -3.314 . 0.031 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 C4'-C3'-C2' 98.572 -4.128 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 1 P-O3'-C3' 125.489 4.824 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.87 0 C4'-C3'-C2' 99.301 -3.399 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 2 O4'-C1'-N19 113.311 5.111 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 2 O4'-C1'-N19 112.834 4.634 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 O4'-C1'-N19 112.509 4.309 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.862 0 C5'-C4'-C3' 110.022 -3.652 . 0.951 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 1 C4'-C3'-C2' 98.512 -4.188 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 1 C4'-C3'-C2' 98.399 -4.301 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 111.752 3.552 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 117.049 -1.453 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -66.71 167.8 18.37 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.026 1.817 . . . . 0.0 112.333 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -58.11 -67.18 0.37 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.44 1.096 . . . . 0.0 110.968 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 11.2 t -161.97 -26.84 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.541 1.936 . . . . 0.0 112.206 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 22.7 mt 65.36 -33.39 0.17 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 129.794 3.238 . . . . 0.0 114.981 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.7 p -73.5 22.37 0.08 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.832 2.853 . . . . 0.0 113.085 173.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.18 125.98 45.99 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 127.726 2.411 . . . . 0.0 108.45 -170.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.83 -25.19 33.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 121.718 1.612 . . . . 0.0 113.262 -169.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.26 -43.19 57.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.627 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.75 -49.09 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.373 0.421 . . . . 0.0 110.645 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 60.3 mt -57.73 -43.51 85.35 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.24 0.473 . . . . 0.0 111.931 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -70.44 -25.68 63.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -118.36 82.74 1.89 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.513 0.673 . . . . 0.0 111.833 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 31.5 mm -46.67 -41.6 27.39 Favored Pre-proline 0 N--CA 1.486 1.347 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.73 -40.95 77.91 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.42 2.08 . . . . 0.0 113.876 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.2 ttp -82.38 -26.17 33.1 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.721 -0.612 . . . . 0.0 111.815 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -60.11 -46.42 89.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.749 -0.594 . . . . 0.0 110.394 166.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.5 -30.39 64.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.795 1.238 . . . . 0.0 113.583 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -53.2 -43.53 67.27 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 167.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.1 m -66.1 -3.27 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.57 -6.18 12.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.203 1.801 . . . . 0.0 113.218 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 60.51 25.34 14.98 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -170.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 467' ' ' LYS . 69.8 mt -109.66 15.72 22.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.731 175.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -62.95 19.07 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 465' ' ' LEU . 26.7 mmmt -80.63 -25.48 38.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.375 0.607 . . . . 0.0 109.604 170.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.7 16.31 21.48 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.853 -1.521 . . . . 0.0 111.5 -171.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 65.1 m -51.63 -49.26 62.61 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.26 -24.36 60.45 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.005 0.821 . . . . 0.0 112.343 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.92 -21.52 54.74 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.377 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.5 mt -108.89 -18.56 13.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.858 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 37.6 m -68.71 -14.05 62.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.72 -0.78 42.76 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.893 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -132.42 130.41 21.84 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 158.63 54.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 121.97 1.78 . . . . 0.0 111.192 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.68 -54.36 46.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.464 -171.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.8 tp -35.0 -27.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -116.9 -29.89 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.932 0.493 . . . . 0.0 111.98 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 12.2 tp -48.68 -55.28 11.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.908 0.861 . . . . 0.0 110.683 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.509 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.315 40.6 pt -42.39 -33.18 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 173.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -85.52 5.63 30.59 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.98 169.69 1.42 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.142 0.972 . . . . 0.0 112.576 171.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.96 164.92 23.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.882 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -51.76 -48.07 63.87 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.123 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.59 -45.77 88.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.896 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 55.8 m -64.37 -36.64 84.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 118.69 -0.671 . . . . 0.0 111.091 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -49.8 75.69 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.976 0.807 . . . . 0.0 110.965 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.19 -37.72 67.43 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 122.013 -0.43 . . . . 0.0 112.065 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -87.26 -5.56 58.88 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.39 -1.444 . . . . 0.0 114.462 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -98.52 -6.78 29.52 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 112.52 11.47 14.98 Favored Glycine 0 N--CA 1.477 1.392 0 CA-C-N 117.679 0.218 . . . . 0.0 113.224 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 4.7 t -109.92 61.37 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -32.13 73.5 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.813 -167.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.24 139.59 46.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.649 0.738 . . . . 0.0 112.522 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.47 -46.72 81.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.564 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.14 -61.3 7.58 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.06 -67.58 0.13 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 168.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.19 -36.58 84.09 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -60.61 -33.42 72.73 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.811 1.187 . . . . 0.0 112.357 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -75.94 -25.38 55.87 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.087 -0.959 . . . . 0.0 112.71 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.76 -47.84 76.69 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.362 0.983 . . . . 0.0 109.022 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.07 -37.79 77.91 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.005 0.82 . . . . 0.0 113.068 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -62.43 -58.23 8.37 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.517 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.97 43.24 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.129 0.893 . . . . 0.0 112.391 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.1 m-30 -57.83 -47.1 83.64 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 129.754 3.222 . . . . 0.0 113.81 173.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.07 -29.67 75.96 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 119.73 -1.856 . . . . 0.0 111.887 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.2 mt -70.39 -71.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 5.4 m -41.39 -56.53 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 39.9 mt -39.11 -45.88 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-N 119.423 1.011 . . . . 0.0 113.186 170.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.1 -55.22 37.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.71 -27.43 66.44 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 174.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -70.99 -42.12 70.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.27 0.557 . . . . 0.0 110.945 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.24 -13.84 62.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.44 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -100.87 -21.13 15.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.482 -0.77 . . . . 0.0 112.032 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.99 22.64 2.35 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 113.435 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.36 -11.02 59.92 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.8 mt -73.68 153.32 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 122.325 1.059 . . . . 0.0 110.606 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.0 148.05 34.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.692 1.234 . . . . 0.0 110.942 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -64.35 -17.85 64.1 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.182 -1.372 . . . . 0.0 114.522 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 75.6 m -81.86 -12.49 58.45 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.74 -33.91 74.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.778 1.172 . . . . 0.0 111.771 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.254 1.325 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.185 -175.844 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.211 0 C4'-C3'-C2' 99.458 -3.242 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.835 0 C4'-C3'-C2' 99.091 -3.609 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.918 1 C4'-C3'-C2' 98.294 -4.406 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.896 0 C4'-C3'-C2' 99.118 -3.582 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.926 0 C4'-C3'-C2' 99.536 -3.164 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.95 0 C4'-C3'-C2' 99.239 -3.461 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.896 0 C4'-C3'-C2' 98.832 -3.868 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 111.885 3.685 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 111.098 -2.934 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.557 4 C5'-C4'-C3' 106.289 -6.141 . 0.542 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.398 0 O5'-C5'-C4' 112.723 1.802 . 0.071 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.924 0 O5'-C5'-C4' 115.64 3.886 . 0.458 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.221 0 C5'-C4'-C3' 111.077 -2.949 . 0.08 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 C3'-C2'-C1' 106.235 5.262 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 2 P-O3'-C3' 129.562 8.218 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.814 0 C4'-C3'-C2' 99.189 -3.511 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 2 O4'-C1'-N19 113.097 4.897 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.816 1 O4'-C1'-N19 112.891 4.691 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 2 O4'-C1'-N19 113.052 4.852 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.096 1 C4'-C3'-C2' 98.349 -4.351 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 2 O4'-C1'-N19 112.537 4.337 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 O4'-C1'-N19 112.062 3.862 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 O4'-C1'-N19 111.582 3.382 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -52.42 106.15 0.14 Allowed 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 124.326 3.351 . . . . 0.0 112.451 171.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -60.82 -51.45 69.26 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.502 -0.749 . . . . 0.0 111.075 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 50.6 m -148.66 155.47 41.09 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 127.252 2.221 . . . . 0.0 109.732 173.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 79.6 mt -137.52 -64.44 0.56 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.669 1.588 . . . . 0.0 110.755 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 36.6 p -71.29 60.28 0.29 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 129.059 2.944 . . . . 0.0 112.74 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -134.9 126.99 18.11 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 127.297 2.239 . . . . 0.0 108.756 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.3 -24.68 26.93 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.801 1.668 . . . . 0.0 113.131 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -73.23 -43.99 60.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.2 -51.38 64.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.175 171.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.05 -39.37 78.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -59.48 -49.66 76.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.586 -0.696 . . . . 0.0 112.764 173.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.52 97.85 6.87 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 32.0 mm -43.26 -43.0 9.79 Favored Pre-proline 0 N--CA 1.483 1.202 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.2 -42.16 54.96 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.211 1.94 . . . . 0.0 114.158 173.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 17.7 ttp -81.41 -30.71 33.49 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 111.656 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -56.1 -45.15 79.54 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.836 0.744 . . . . 0.0 110.721 166.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.05 -26.9 59.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.98 1.712 . . . . 0.0 114.604 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -54.09 -46.87 72.16 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 168.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.1 m -63.28 -0.67 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 174.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.51 -3.8 8.82 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.963 1.705 . . . . 0.0 114.957 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 62.48 15.97 8.29 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -171.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.0 mt -98.41 1.82 47.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.247 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -62.27 8.42 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -79.52 -35.29 40.25 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.41 -0.806 . . . . 0.0 109.274 166.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -92.36 14.21 17.17 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.163 -172.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 37.2 m -53.09 -32.11 45.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.49 -32.19 37.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.29 0.95 . . . . 0.0 113.429 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.9 -26.81 66.17 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.835 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.94 -13.43 16.91 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 28.4 t -69.03 174.33 4.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.591 0.71 . . . . 0.0 111.599 168.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 69.75 5.56 51.96 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 121.597 -0.689 . . . . 0.0 113.375 -168.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.0 m -136.68 107.22 9.09 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -63.17 156.71 53.66 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.469 2.113 . . . . 0.0 110.469 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -57.31 -50.41 73.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.457 -170.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tp -36.08 -25.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -117.08 -30.4 5.68 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.321 0.648 . . . . 0.0 111.55 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.6 tp -51.26 -59.43 4.22 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.457 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.315 31.0 pt -42.76 -36.48 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 173.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -77.87 8.58 4.43 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 175.01 0.12 Allowed 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 123.415 1.579 . . . . 0.0 112.955 169.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -138.78 170.17 16.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 112.618 -2.083 . . . . 0.0 108.225 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.34 -40.05 81.13 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.14 -42.33 80.3 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.6 m -61.17 -42.6 98.86 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 110.71 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.34 -48.4 81.47 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.053 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.74 -30.21 71.26 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 122.996 2.634 . . . . 0.0 112.742 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.57 -17.76 55.65 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.46 -31.41 62.23 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.501 0.592 . . . . 0.0 111.09 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 125.1 14.5 3.32 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 123.84 0.713 . . . . 0.0 113.827 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 18.1 t -102.5 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 121.97 0.89 . . . . 0.0 108.714 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -25.91 57.66 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.1 138.29 56.99 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.276 0.56 . . . . 0.0 111.224 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.05 -47.86 84.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.607 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.07 -62.15 6.37 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.94 -66.08 0.13 Allowed 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.916 1.009 . . . . 0.0 113.372 167.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.17 -54.12 28.34 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -55.9 -36.24 67.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.15 -32.19 71.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.549 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.39 -49.12 70.5 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.66 0.663 . . . . 0.0 109.865 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.01 -38.51 70.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -65.19 -59.22 4.32 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.141 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.79 -49.24 39.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 124.142 0.901 . . . . 0.0 112.087 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.457 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.1 m-30 -56.08 -45.78 79.26 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 129.644 3.177 . . . . 0.0 113.729 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.74 -29.98 75.55 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 119.697 -1.877 . . . . 0.0 111.983 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -71.73 -68.56 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.6 m -41.15 -57.53 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 118.907 -1.117 . . . . 0.0 113.71 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 34.9 mt -39.41 -43.99 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 CA-C-N 119.902 1.228 . . . . 0.0 113.527 170.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -55.56 33.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.99 -25.66 63.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 172.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -72.79 -41.52 64.89 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.423 0.63 . . . . 0.0 110.899 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -70.92 -19.0 62.63 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.002 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -91.51 -22.85 20.17 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.782 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.8 t70 74.45 21.04 2.4 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.621 1.201 . . . . 0.0 113.728 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.99 -8.59 57.66 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.6 mt -77.42 148.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 122.629 1.204 . . . . 0.0 110.303 -176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -81.36 142.62 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.56 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 35.1 mmt-85 -62.52 -13.66 33.15 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 114.568 -1.196 . . . . 0.0 114.159 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 23.8 m -77.92 -16.29 58.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.16 79.16 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.604 0.638 . . . . 0.0 111.743 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--O 1.254 1.302 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.491 -176.6 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.31 0 C4'-C3'-C2' 99.586 -3.114 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.937 0 O4'-C1'-N19 111.691 3.491 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.126 0 C5'-C4'-O4' 114.282 3.63 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.071 1 C5'-C4'-C3' 109.176 -4.216 . 0.486 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 110.909 2.709 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.866 0 C5'-C4'-C3' 110.144 -3.57 . 0.75 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.035 0 C4'-C3'-C2' 99.129 -3.571 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.333 0 O4'-C1'-N19 112.106 3.906 . 0.489 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C5'-C4'-C3' 111.107 -2.929 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -2.022 3 O4'-C1'-N19 113.36 5.16 . 0.203 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.403 -2.319 0 C3'-C2'-C1' 99.086 -2.682 . 0.11 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O5'-C5'-C4' 115.457 3.755 . 0.528 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 0 C5'-C4'-C3' 111.885 -2.41 . 0.088 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C4'-C3'-C2' 99.608 -3.092 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.485 0 P-O3'-C3' 123.177 2.898 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.968 0 C4'-C3'-C2' 99.22 -3.48 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.028 2 O4'-C1'-N19 112.902 4.702 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.906 1 O4'-C1'-N19 112.7 4.5 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 1 O4'-C1'-N19 112.204 4.004 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.923 0 C5'-C4'-C3' 109.941 -3.706 . 0.934 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 1 O4'-C1'-N19 112.643 4.443 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 1 C4'-C3'-C2' 98.59 -4.11 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C1'-N19 111.722 3.522 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -60.08 159.95 24.18 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.212 2.608 . . . . 0.0 113.823 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.43 -13.46 3.4 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 51.5 p -151.45 -75.86 0.14 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.331 1.052 . . . . 0.0 111.935 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 14.1 mt 63.0 -47.92 0.2 Allowed 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 130.273 3.429 . . . . 0.0 114.702 -173.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 79.4 p -66.44 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.616 3.166 . . . . 0.0 114.345 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -102.3 127.16 31.26 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 126.844 2.058 . . . . 0.0 109.562 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.48 -28.34 32.34 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 121.888 1.726 . . . . 0.0 112.585 -168.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -72.31 -39.86 67.92 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.811 0.444 . . . . 0.0 110.109 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.37 -49.6 47.5 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.34 -38.03 70.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.548 0.574 . . . . 0.0 112.548 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -65.03 -53.24 49.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.167 -0.958 . . . . 0.0 111.924 168.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -93.72 82.6 4.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.177 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.6 mm -45.46 -43.12 23.2 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -175.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.49 -40.58 78.21 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.498 2.132 . . . . 0.0 114.691 172.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.3 ttp -82.18 -26.61 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.594 -0.691 . . . . 0.0 111.677 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.607 -0.683 . . . . 0.0 110.173 166.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.39 -25.67 61.58 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.089 1.356 . . . . 0.0 114.265 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -55.96 -45.14 78.95 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 167.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 8.8 t -60.99 -10.62 6.1 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 173.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 71.2 mt -115.06 2.89 14.3 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.315 1.846 . . . . 0.0 114.026 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 56.89 21.79 6.48 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.66 12.03 19.66 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.551 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -61.59 10.79 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -83.88 -28.49 27.91 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -96.12 10.92 36.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.86 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 51.1 m -53.92 -34.72 60.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -81.93 -27.32 33.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.45 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.347 0.594 . . . . 0.0 110.439 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 58.9 mt -97.11 -9.14 28.57 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.354 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.1 t -68.37 170.17 9.36 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.556 0.693 . . . . 0.0 111.006 167.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 70.89 6.37 59.71 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.333 -0.854 . . . . 0.0 113.65 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 38.0 m -134.76 120.7 14.49 Favored Pre-proline 0 N--CA 1.471 0.593 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.78 158.12 58.01 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.388 2.059 . . . . 0.0 110.564 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.431 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 39.3 p-90 -62.14 -54.05 46.67 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.851 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.431 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.0 tp -34.3 -25.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 170.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -118.96 -28.9 5.43 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 12.5 tp -49.27 -54.53 16.4 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.712 0.768 . . . . 0.0 110.232 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.524 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.32 37.0 pt -42.31 -35.26 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 173.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -84.59 9.5 13.53 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.92 170.08 0.9 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.484 1.135 . . . . 0.0 111.956 169.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -132.73 164.86 25.84 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.46 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -57.82 -39.34 77.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.18 -43.97 69.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 38.1 m -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.016 -1.052 . . . . 0.0 110.447 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.2 mt -56.71 -53.63 55.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.945 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.92 -31.91 73.09 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 122.174 2.261 . . . . 0.0 113.709 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -77.76 -13.07 60.0 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.909 -1.119 . . . . 0.0 113.658 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -93.7 -15.87 24.82 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 121.85 12.91 5.24 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 114.222 0.449 . . . . 0.0 114.222 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 13.2 t -106.96 64.12 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 122.643 1.211 . . . . 0.0 108.888 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.37 -34.44 76.07 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.2 140.86 58.21 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.821 0.819 . . . . 0.0 110.861 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.8 -41.5 99.31 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.061 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.49 -62.66 5.37 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.84 -68.91 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 169.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -55.05 -45.62 75.27 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -62.2 -32.73 73.41 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.349 0.977 . . . . 0.0 112.473 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -25.58 60.51 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.584 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.91 -49.02 61.7 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 119.523 1.056 . . . . 0.0 109.137 168.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.91 -37.25 76.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.15 0.886 . . . . 0.0 113.142 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.49 -58.35 7.91 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.341 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.4 39.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.924 0.765 . . . . 0.0 112.001 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.524 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.9 m-30 -54.79 -52.07 63.78 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 129.924 3.29 . . . . 0.0 113.195 173.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.22 -29.16 72.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 119.865 -1.772 . . . . 0.0 112.021 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 22.7 mt -71.03 -71.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.5 m -41.86 -54.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 118.869 -1.133 . . . . 0.0 113.137 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 42.5 mt -38.05 -48.86 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 CA-C-N 119.069 0.85 . . . . 0.0 113.219 170.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -58.32 -55.47 34.6 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.283 0.989 . . . . 0.0 109.444 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -57.35 -29.16 63.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -31.13 58.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.199 0.6 . . . . 0.0 112.511 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.73 -23.0 29.48 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -81.03 -22.54 39.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 118.904 -0.569 . . . . 0.0 111.62 171.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 73.74 26.04 1.91 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.917 1.386 . . . . 0.0 112.53 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 mp -76.52 -5.96 49.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.465 172.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 9.5 mm -55.58 143.76 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.877 0.846 . . . . 0.0 110.528 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 521' ' ' SER . 9.1 m-20 -69.13 7.18 0.78 Allowed 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.277 18.3 mmt85 51.02 -0.39 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 119.123 3.008 . . . . 0.0 119.123 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' SER . . . . . 0.5 ' H ' ' C ' ' A' ' 519' ' ' ASP . 44.0 m -98.97 -11.62 21.39 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.905 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.28 62.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.253 1.289 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.453 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.13 0 C4'-C3'-C2' 99.499 -3.201 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.872 0 C4'-C3'-C2' 99.366 -3.334 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.884 1 C4'-C3'-C2' 98.466 -4.234 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.946 0 C4'-C3'-C2' 99.306 -3.394 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.882 0 C4'-C3'-C2' 99.064 -3.636 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.891 0 O4'-C1'-N19 112.192 3.992 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.851 0 O4'-C1'-N19 111.479 3.279 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.904 3.704 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C5'-C4'-C3' 110.793 -3.138 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.412 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.409 -1.958 2 C5'-C4'-C3' 108.488 -4.675 . 0.26 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.412 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.404 -2.255 0 C3'-C2'-C1' 99.447 -2.281 . 0.095 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 1 O5'-C5'-C4' 116.16 4.257 . 0.451 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O5'-C5'-C4' 114.693 3.209 . 0.014 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 1 C3'-C2'-C1' 96.044 -6.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 98.985 -3.715 . 0.227 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 1.664 1 O4'-C1'-N19 112.399 4.199 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 2 O4'-C1'-N19 113.098 4.898 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 2 C4'-C3'-C2' 98.131 -4.569 . 0.732 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.948 2 O4'-C1'-N19 113.187 4.987 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 1 C4'-C3'-C2' 98.044 -4.656 . 0.646 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 2 O4'-C1'-N19 112.653 4.453 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.067 1 C4'-C3'-C2' 98.675 -4.025 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 111.6 3.4 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -52.67 -24.32 22.67 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 124.374 3.383 . . . . 0.0 116.605 174.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? 57.67 -85.96 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 128.548 2.739 . . . . 0.0 112.455 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 59.6 m -138.16 86.08 2.14 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.16 1.784 . . . . 0.0 109.484 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.56 -28.24 69.01 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.357 0.663 . . . . 0.0 111.962 172.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.5 p -65.99 16.42 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 131.304 3.842 . . . . 0.0 114.753 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.18 127.59 41.93 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.742 2.017 . . . . 0.0 109.696 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -65.25 -32.91 50.64 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 121.799 1.666 . . . . 0.0 113.567 -169.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -71.95 -40.28 68.79 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.153 0.283 . . . . 0.0 110.681 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -48.82 68.09 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 169.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 58.2 mt -58.04 -45.67 86.59 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -70.76 -20.97 62.57 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.494 -1.379 . . . . 0.0 114.654 172.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -120.84 81.97 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.677 0.672 . . . . 0.0 111.855 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.8 mm -47.28 -41.18 30.5 Favored Pre-proline 0 N--CA 1.486 1.367 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -174.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.0 -42.34 59.05 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.246 1.964 . . . . 0.0 114.306 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.4 ttp -82.53 -26.57 32.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.377 0.535 . . . . 0.0 111.593 -176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -58.52 -46.83 85.95 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.321 0.581 . . . . 0.0 110.637 166.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.49 -27.09 60.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.772 1.629 . . . . 0.0 114.002 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -53.53 -47.11 70.27 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 168.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 25.0 m -62.02 -5.08 1.93 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 48.5 mt -117.99 -3.04 11.17 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.089 1.756 . . . . 0.0 114.171 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 59.85 21.03 9.93 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 467' ' ' LYS . 59.4 mt -104.22 8.64 36.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.063 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -63.24 18.35 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 465' ' ' LEU . 27.7 mmmt -81.61 -25.04 36.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 168.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.34 14.08 22.75 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.95 1.406 . . . . 0.0 111.058 -172.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 18.5 p -56.6 -38.8 72.54 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -74.35 -30.0 61.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 119.065 0.848 . . . . 0.0 113.208 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.02 -19.08 61.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.258 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.1 mt -111.87 -20.23 12.11 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.08 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.0 t -61.83 -19.52 62.65 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.51 -3.61 48.72 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 114.775 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 51.9 m -125.96 129.57 24.24 Favored Pre-proline 0 N--CA 1.476 0.843 0 CA-C-N 117.5 0.65 . . . . 0.0 109.502 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.78 158.03 54.01 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 111.222 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.411 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.47 -54.86 40.51 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.476 -172.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.53 -26.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 172.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -117.17 -31.8 5.21 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.218 0.463 . . . . 0.0 111.929 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.6 tp -45.51 -57.23 4.28 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.495 0.664 . . . . 0.0 110.822 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.31 41.3 pt -42.26 -33.98 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 175.287 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -84.64 7.59 19.77 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.59 171.01 0.34 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.499 1.142 . . . . 0.0 113.348 171.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -131.53 166.26 21.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.167 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.88 -42.32 84.37 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.47 -45.33 76.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.7 m -62.02 -38.55 89.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.661 -0.649 . . . . 0.0 111.215 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.94 -48.19 82.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.932 0.333 . . . . 0.0 110.913 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.54 -42.27 74.37 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.88 -0.512 . . . . 0.0 112.084 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -78.0 -14.89 59.36 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.093 -1.004 . . . . 0.0 113.684 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -92.74 -12.79 30.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.49 10.52 8.58 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.288 0.475 . . . . 0.0 114.288 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 8.2 t -107.13 62.64 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.24 -28.61 70.15 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -166.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -75.63 145.42 41.09 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.9 0.857 . . . . 0.0 113.098 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.94 -42.46 89.98 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.448 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.91 -63.49 4.9 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.499 -0.612 . . . . 0.0 111.729 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.48 -66.9 0.12 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -55.9 -44.12 77.93 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -173.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.84 -35.51 76.72 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.762 1.619 . . . . 0.0 112.704 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -68.32 -31.45 70.87 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.888 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.3 -49.19 74.98 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.923 0.783 . . . . 0.0 110.436 169.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.43 -36.71 74.05 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -61.48 -61.04 2.81 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.28 170.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.97 -48.89 42.84 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 122.111 0.958 . . . . 0.0 112.236 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.9 m-30 -54.81 -46.06 74.47 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 129.005 2.922 . . . . 0.0 113.409 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.23 77.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 119.824 -1.798 . . . . 0.0 111.847 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.16 -70.17 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.1 m -41.77 -56.26 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 C-N-CA 118.772 -1.171 . . . . 0.0 113.914 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 37.9 mt -38.87 -44.33 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 CA-C-N 119.459 1.027 . . . . 0.0 113.33 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.23 -53.01 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.002 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.13 -28.97 69.49 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -70.12 -40.11 75.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.492 0.587 . . . . 0.0 111.5 174.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.76 -13.57 61.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.714 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -98.08 -25.63 14.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.762 173.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 18.9 t70 75.2 25.68 1.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.599 1.187 . . . . 0.0 113.38 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.3 mp -81.83 -7.62 59.62 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.79 156.27 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 122.166 0.984 . . . . 0.0 110.722 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -84.3 143.96 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.379 1.085 . . . . 0.0 110.719 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -62.06 -17.83 58.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.508 -1.223 . . . . 0.0 113.966 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -77.19 -13.75 59.89 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.2 71.6 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.148 0.886 . . . . 0.0 111.878 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.252 1.199 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.178 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 99.135 -3.565 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 O4'-C1'-N19 111.247 3.047 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.137 0 C4'-C3'-C2' 99.549 -3.151 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.928 0 C5'-C4'-C3' 109.571 -3.953 . 0.622 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.004 0 C4'-C3'-C2' 99.721 -2.979 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.903 0 C4'-C3'-C2' 99.152 -3.548 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.991 0 C4'-C3'-C2' 98.731 -3.969 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 O4'-C1'-N19 111.969 3.769 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C5'-C4'-C3' 111.03 -2.98 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.406 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.405 -2.207 3 C5'-C4'-C3' 106.583 -5.945 . 0.469 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.406 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.404 -2.273 0 O3'-P-O5' 100.009 -2.101 . 0.09 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 O5'-C5'-C4' 114.877 3.341 . 0.517 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . 0.438 " H3'" ' C8 ' ' B' ' 536' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.863 0 C4'-C3'-C2' 98.813 -3.887 . 0.702 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 2 C3'-C2'-C1' 106.626 5.695 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 2 P-O3'-C3' 129.42 8.1 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.898 0 O4'-C1'-N19 111.775 3.575 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.97 2 O4'-C1'-N19 113.101 4.901 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.984 2 O4'-C1'-N19 113.122 4.922 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 1 O4'-C1'-N19 112.868 4.668 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.858 0 C5'-C4'-C3' 109.902 -3.732 . 0.964 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.913 1 O4'-C1'-N19 112.868 4.668 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.982 0 O4'-C1'-N19 112.085 3.885 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 111.57 3.37 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.68 150.12 12.77 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 124.04 3.16 . . . . 0.0 114.267 173.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -151.57 -38.17 0.12 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.272 1.029 . . . . 0.0 113.757 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 60.2 p -64.18 -1.59 1.67 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.869 2.068 . . . . 0.0 115.257 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.56 -34.1 77.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.113 1.765 . . . . 0.0 112.531 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 81.3 p -66.19 32.38 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.929 2.892 . . . . 0.0 114.244 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -112.9 128.28 25.8 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 127.044 2.137 . . . . 0.0 109.86 -173.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.77 -25.17 24.23 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.8 1.667 . . . . 0.0 113.174 -169.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -74.12 -41.2 61.98 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.29 -50.24 54.95 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.458 0.473 . . . . 0.0 110.478 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.05 -44.15 82.7 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.278 0.49 . . . . 0.0 112.142 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -68.5 -26.59 65.54 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -119.52 83.59 2.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.415 0.626 . . . . 0.0 111.74 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 23.8 mm -48.06 -41.52 42.52 Favored Pre-proline 0 N--CA 1.488 1.456 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.61 -38.3 90.77 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.483 2.122 . . . . 0.0 114.519 172.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 28.0 ttp -80.34 -31.68 37.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.478 0.311 . . . . 0.0 111.805 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.243 0.544 . . . . 0.0 111.32 168.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.17 -23.5 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.186 1.394 . . . . 0.0 113.492 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -51.44 -49.82 60.94 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 169.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -63.78 -14.81 55.93 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.85 -3.3 32.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.35 1.46 . . . . 0.0 113.179 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 63.51 19.43 11.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 467' ' ' LYS . 94.8 mt -113.87 16.68 18.34 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.88 177.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -63.75 19.78 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 465' ' ' LEU . 14.8 tppt? -80.7 -35.57 33.39 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 166.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -95.21 12.19 29.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.563 -172.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 24.2 p -54.75 -37.36 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.14 -24.92 43.0 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.03 0.832 . . . . 0.0 112.377 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.41 -21.23 56.26 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 73.7 mt -108.35 -14.96 14.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.034 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 19.4 t -64.47 -16.23 62.11 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -73.39 2.66 36.43 Favored Glycine 0 CA--C 1.541 1.664 0 N-CA-C 114.892 0.717 . . . . 0.0 114.892 170.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 49.7 m -136.87 115.18 10.25 Favored Pre-proline 0 N--CA 1.473 0.704 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -62.57 155.01 61.03 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.127 1.884 . . . . 0.0 110.718 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -55.38 -50.38 69.87 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.051 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.3 tp -35.38 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -117.22 -28.97 6.03 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.827 0.705 . . . . 0.0 111.743 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.43 -57.14 8.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.67 0.748 . . . . 0.0 109.764 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.512 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 33.2 pt -42.24 -34.93 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 172.338 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.412 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.2 m-30 -78.83 1.92 21.72 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.111 -1.618 . . . . 0.0 114.993 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.94 169.84 1.78 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 122.686 1.231 . . . . 0.0 113.314 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.03 172.22 13.08 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.029 175.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.91 -39.49 85.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.61 -44.63 64.08 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 96.8 m -62.28 -38.91 91.16 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.979 -1.076 . . . . 0.0 110.344 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.3 mt -56.65 -54.09 50.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.34 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.08 -28.36 70.03 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 121.832 2.106 . . . . 0.0 114.302 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.38 -14.55 58.24 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.985 -1.072 . . . . 0.0 113.531 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -92.65 -10.98 35.37 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.63 11.82 10.06 Favored Glycine 0 N--CA 1.477 1.388 0 CA-C-O 119.922 -0.377 . . . . 0.0 113.946 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.51 64.6 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 122.659 1.219 . . . . 0.0 108.294 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -35.94 81.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.534 -1.212 . . . . 0.0 114.255 -168.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.98 145.1 54.84 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.135 0.969 . . . . 0.0 112.031 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.54 -43.06 99.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.002 169.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.8 -64.63 4.03 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.29 -69.86 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 167.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -55.52 -45.66 77.09 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -59.83 -37.47 79.29 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.236 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.73 -29.86 67.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.082 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.99 -48.5 71.0 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.279 0.945 . . . . 0.0 110.16 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 67.5 mt -58.11 -38.19 75.99 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.27 0.941 . . . . 0.0 112.882 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -61.85 -59.11 5.63 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.033 170.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.57 -51.05 29.67 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 124.158 0.911 . . . . 0.0 112.674 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.512 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 18.0 m-30 -54.58 -47.56 73.14 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 129.444 3.098 . . . . 0.0 113.682 173.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -29.89 76.54 Favored Glycine 0 CA--C 1.526 0.753 0 O-C-N 119.985 -1.697 . . . . 0.0 111.816 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.2 mt -69.99 -70.92 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.1 m -42.44 -55.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.419 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 42.9 mt -39.42 -45.26 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-N 119.946 1.248 . . . . 0.0 113.039 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.33 -52.7 64.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.936 -176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.64 -31.75 70.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -66.51 -42.09 87.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.561 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.68 -10.04 59.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -102.19 -22.47 14.18 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.643 -0.694 . . . . 0.0 112.415 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.9 t0 77.42 23.16 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.708 1.255 . . . . 0.0 112.9 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.3 mp -77.07 -6.43 52.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.41 139.54 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.696 0.76 . . . . 0.0 110.496 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -73.0 145.98 46.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.68 1.228 . . . . 0.0 109.898 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -64.16 -10.86 25.49 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.855 -1.52 . . . . 0.0 113.613 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 31.9 m -89.42 -12.92 38.87 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.48 72.63 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.582 1.083 . . . . 0.0 111.808 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.252 1.213 0 CA-C-N 115.008 -0.996 . . . . 0.0 113.185 -179.008 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.122 0 C4'-C3'-C2' 99.484 -3.216 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.943 0 O4'-C1'-N19 111.372 3.172 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.037 0 C5'-C4'-O4' 113.885 3.346 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.939 1 C5'-C4'-C3' 109.459 -4.028 . 0.629 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 C5'-C4'-O4' 113.171 2.836 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.892 1 C5'-C4'-C3' 109.318 -4.121 . 0.756 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.79 1 C4'-C3'-C2' 98.681 -4.019 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 1 O4'-C1'-N19 112.227 4.027 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.15 1 C4'-C3'-C2' 98.552 -4.148 . 0.869 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.439 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.435 2 O5'-C5'-C4' 117.369 5.12 . 0.712 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.439 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.402 -2.371 0 P-O3'-C3' 122.549 2.374 . 0.131 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.755 0 O5'-C5'-C4' 115.536 3.812 . 0.541 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . 0.429 " H3'" ' C8 ' ' B' ' 536' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.169 0 C5'-C4'-C3' 111.091 -2.94 . 0.403 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 3 C3'-C2'-C1' 107.011 6.124 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 2 P-O3'-C3' 128.539 7.366 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.766 0 C4'-C3'-C2' 99.362 -3.338 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 2 O4'-C1'-N19 113.366 5.166 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 2 C4'-C3'-C2' 98.019 -4.681 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.851 1 O4'-C1'-N19 113.762 5.562 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 1 O4'-C1'-N19 112.264 4.064 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.972 2 O4'-C1'-N19 112.543 4.343 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 1 C4'-C3'-C2' 98.693 -4.007 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 111.92 3.72 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -55.67 113.22 1.32 Allowed 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.176 3.251 . . . . 0.0 113.915 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -128.05 -3.98 5.69 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.962 1.705 . . . . 0.0 114.617 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 44.4 m -124.13 14.44 9.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.105 1.762 . . . . 0.0 113.251 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.97 -41.37 97.57 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.535 -1.353 . . . . 0.0 112.247 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 52.0 p -68.43 17.03 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 130.151 3.38 . . . . 0.0 115.522 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -98.61 131.69 25.41 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 126.582 1.953 . . . . 0.0 110.188 -170.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.57 -26.17 28.72 Favored 'Trans proline' 0 C--N 1.347 0.471 0 CA-C-N 121.455 1.555 . . . . 0.0 113.075 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.03 -41.38 61.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.7 mp -69.19 -51.71 35.22 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.5 0.5 . . . . 0.0 110.773 171.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.16 -43.75 74.53 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -67.34 -36.05 80.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 172.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -108.19 85.82 2.18 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 37.2 mm -47.92 -43.35 53.58 Favored Pre-proline 0 N--CA 1.488 1.429 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.63 -43.11 52.8 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.41 2.073 . . . . 0.0 113.933 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.3 ttp -80.66 -27.99 36.96 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.381 0.537 . . . . 0.0 111.704 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -57.86 -48.83 78.65 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.733 -0.604 . . . . 0.0 110.381 166.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.26 -28.33 63.07 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.036 1.334 . . . . 0.0 113.771 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -52.81 -42.88 65.51 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.6 t -57.62 -25.03 59.52 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 88.4 mt -95.72 -6.49 39.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.422 1.489 . . . . 0.0 113.961 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.256 87.8 mmt-85 60.26 21.17 10.59 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -169.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.407 ' C ' ' H ' ' A' ' 467' ' ' LYS . 83.9 mt -102.76 13.14 35.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.137 174.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -58.13 8.08 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 465' ' ' LEU . 13.3 tppt? -74.09 -34.91 64.13 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.903 0.859 . . . . 0.0 109.087 167.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -95.24 13.21 26.27 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.153 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.2 p -58.99 -31.53 68.87 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -80.83 -27.11 36.61 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.303 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.0 68.18 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.599 0.714 . . . . 0.0 110.225 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 71.2 mt -95.75 -12.0 26.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.27 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 27.1 t -66.31 166.62 11.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.588 0.709 . . . . 0.0 111.018 167.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 73.85 2.19 60.73 Favored Glycine 0 CA--C 1.539 1.582 0 O-C-N 121.293 -0.879 . . . . 0.0 113.897 -169.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 34.1 m -130.69 120.98 18.89 Favored Pre-proline 0 N--CA 1.475 0.792 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.56 159.88 51.33 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.615 2.21 . . . . 0.0 110.865 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.4 p-90 -61.68 -54.91 36.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.329 -172.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 2.8 tp -33.88 -25.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -30.85 6.03 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 9.8 tp -49.28 -54.66 15.8 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 121.42 0.628 . . . . 0.0 110.111 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.491 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.317 39.2 pt -43.3 -35.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 173.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.51 10.25 11.41 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.3 170.73 0.89 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.318 1.056 . . . . 0.0 112.605 170.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -131.67 167.47 19.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.709 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -58.56 -41.9 86.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.86 -41.33 71.55 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 30.2 m -61.13 -42.5 98.65 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.056 -1.027 . . . . 0.0 110.625 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.76 -54.93 38.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.711 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.2 -31.11 71.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.592 1.997 . . . . 0.0 114.235 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -77.67 -19.69 54.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -85.59 -18.31 33.68 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 124.8 10.89 4.63 Favored Glycine 0 N--CA 1.472 1.1 0 N-CA-C 114.33 0.492 . . . . 0.0 114.33 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.22 67.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 122.415 1.103 . . . . 0.0 109.052 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -30.51 63.85 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -169.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.05 137.83 49.31 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.323 0.965 . . . . 0.0 111.887 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.93 -42.75 98.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.689 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.47 -67.14 2.37 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.54 -66.04 0.16 Allowed 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.903 1.002 . . . . 0.0 113.306 166.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -47.05 -56.81 5.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -60.71 -35.67 76.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.234 0.925 . . . . 0.0 112.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -69.73 -29.65 67.09 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 118.167 -0.92 . . . . 0.0 112.223 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.81 -49.13 74.07 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 119.509 1.05 . . . . 0.0 109.735 168.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.5 mt -58.63 -38.22 77.59 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.084 0.856 . . . . 0.0 113.02 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -60.93 -59.54 5.22 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.844 169.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.68 -51.23 29.56 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.019 0.824 . . . . 0.0 112.412 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.491 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.3 m-30 -53.17 -48.66 67.81 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 129.693 3.197 . . . . 0.0 113.338 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.15 -30.62 78.3 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 119.986 -1.696 . . . . 0.0 111.913 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 14.9 mt -69.28 -71.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.3 m -42.08 -55.94 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 119.063 -1.055 . . . . 0.0 113.639 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 42.0 mt -38.97 -46.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 CA-C-N 119.763 1.165 . . . . 0.0 113.312 170.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.55 -54.97 40.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.5 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -58.75 -27.5 65.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.48 -43.49 69.65 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.549 0.69 . . . . 0.0 110.947 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.92 -13.15 61.57 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.938 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -99.12 -22.84 15.48 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.854 -0.593 . . . . 0.0 112.387 171.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.5 t0 68.71 30.82 4.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.06 -8.22 59.72 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 173.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.01 155.64 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 122.248 1.023 . . . . 0.0 109.592 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -81.06 128.43 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.616 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -61.13 -11.05 7.47 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 38.9 m -70.89 -14.85 62.54 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.31 -25.63 66.12 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--O 1.253 1.255 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.74 -169.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 C4'-C3'-C2' 99.321 -3.379 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.884 0 C4'-C3'-C2' 99.423 -3.277 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.09 0 C5'-C4'-O4' 113.999 3.428 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.919 1 C5'-C4'-C3' 108.597 -4.602 . 0.697 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C5'-C4'-O4' 113.332 2.952 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.001 0 C5'-C4'-C3' 109.678 -3.882 . 0.902 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.916 0 C4'-C3'-C2' 99.224 -3.476 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 1 O4'-C1'-N19 112.222 4.022 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . 0.418 HO2' " H5'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.089 1 C4'-C3'-C2' 97.877 -4.823 . 0.866 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.457 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.549 3.002 2 O4'-C1'-N19 113.78 5.58 . 0.544 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.457 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.624 0 O5'-C5'-C4' 115.401 3.715 . 0.112 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.886 1 O5'-C5'-C4' 116.018 4.156 . 0.6 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.119 0 C4'-C3'-C2' 99.313 -3.387 . 0.133 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 2 C4'-C3'-C2' 97.981 -4.719 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.668 1 P-O3'-C3' 126.391 5.576 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.88 0 O4'-C1'-N19 111.61 3.41 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 2 O4'-C1'-N19 113.229 5.029 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.916 2 O4'-C1'-N19 112.787 4.587 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 2 O4'-C1'-N19 113.319 5.119 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 C4'-C3'-C2' 98.384 -4.316 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.952 2 O4'-C1'-N19 112.602 4.402 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.987 1 C4'-C3'-C2' 98.659 -4.041 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.661 3.461 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 63.1 ttp . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.58 108.24 0.23 Allowed 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 124.15 3.233 . . . . 0.0 113.403 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -63.68 -54.71 31.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.485 1.114 . . . . 0.0 111.913 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 59.1 m -146.95 153.8 40.51 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.435 2.294 . . . . 0.0 109.552 170.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 46.3 mt -139.01 -43.15 0.47 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.308 1.443 . . . . 0.0 111.47 178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 48.0 p -66.02 17.04 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 130.163 3.385 . . . . 0.0 114.148 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.8 125.54 52.93 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 126.685 1.994 . . . . 0.0 110.02 -169.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.21 -31.64 89.96 Favored 'Trans proline' 0 CA--C 1.516 -0.388 0 C-N-CA 122.403 2.069 . . . . 0.0 114.679 -171.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -81.37 -29.78 33.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.342 -173.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -47.17 26.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.451 0.3 . . . . 0.0 110.518 167.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.81 -41.12 77.23 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.812 -0.555 . . . . 0.0 111.841 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.64 -49.67 67.8 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.098 -1.001 . . . . 0.0 112.712 169.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -100.78 84.67 2.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.269 0.557 . . . . 0.0 111.498 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.8 mm -47.59 -42.48 43.93 Favored Pre-proline 0 N--CA 1.483 1.22 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' A' ' 469' ' ' SER . 76.2 Cg_exo -49.78 -39.81 47.98 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.287 2.658 . . . . 0.0 115.612 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 23.6 ttp -83.16 -25.97 31.35 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -62.2 -48.32 80.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 169.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -28.22 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -53.51 -41.29 66.16 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 55.8 m -69.76 -4.18 18.74 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.26 -7.85 12.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.989 1.715 . . . . 0.0 114.48 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 64.67 19.87 11.96 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 467' ' ' LYS . 84.8 mt -111.93 18.6 18.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.558 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -66.78 20.84 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 465' ' ' LEU . 28.5 mmmt -93.1 -29.78 15.6 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 168.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -106.28 3.7 27.94 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.492 -175.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.402 ' HB2' ' HA ' ' A' ' 457' ' ' PRO . 44.1 p -56.86 -27.18 60.0 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.95 -32.07 45.31 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.14 0.495 . . . . 0.0 111.989 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -71.19 -17.51 62.52 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.312 173.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.1 mt -106.98 -15.8 14.61 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.025 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.0 t -64.22 -22.57 66.99 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -67.81 0.69 9.6 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.5 m -133.97 128.02 19.48 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 117.896 0.848 . . . . 0.0 108.978 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.99 160.75 48.37 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.14 1.893 . . . . 0.0 111.127 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.405 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -60.86 -55.27 35.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.894 -170.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.0 tp -35.11 -27.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -110.94 -33.41 6.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.883 0.473 . . . . 0.0 112.253 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.5 tp -49.58 -56.64 9.23 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.201 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.486 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.313 38.2 pt -41.96 -37.38 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 172.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.409 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.4 m-30 -76.7 -1.16 26.47 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.56 170.07 1.15 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.292 1.044 . . . . 0.0 113.407 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -129.4 167.94 17.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.765 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.93 -39.64 90.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.17 -48.05 80.05 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 122.418 -0.176 . . . . 0.0 111.016 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 9.1 m -62.11 -36.01 80.47 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.19 74.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.331 0.969 . . . . 0.0 110.9 171.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -55.47 -38.42 69.06 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 174.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.76 -10.29 58.22 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -98.09 -10.51 24.14 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.79 12.44 9.39 Favored Glycine 0 N--CA 1.477 1.376 0 O-C-N 123.264 0.352 . . . . 0.0 113.744 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.36 61.38 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -31.96 73.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.276 -1.329 . . . . 0.0 114.544 -167.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.04 145.89 47.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.313 0.577 . . . . 0.0 112.48 -175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.2 tp -61.76 -45.8 92.36 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.272 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.08 -65.81 3.26 Favored Glycine 0 C--N 1.338 0.69 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.77 -68.0 0.12 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -59.12 -44.9 92.03 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -60.45 -34.96 74.75 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.232 0.924 . . . . 0.0 112.826 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -70.47 -30.53 67.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.784 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.07 -49.35 74.86 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.113 0.87 . . . . 0.0 110.204 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.67 -37.3 75.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.022 0.828 . . . . 0.0 113.171 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -62.11 -58.73 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.387 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.01 -48.48 43.6 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 124.268 0.98 . . . . 0.0 112.28 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.486 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.3 m-30 -57.34 -47.51 81.38 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 129.813 3.245 . . . . 0.0 113.857 174.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.31 74.8 Favored Glycine 0 CA--C 1.526 0.741 0 O-C-N 119.751 -1.843 . . . . 0.0 111.632 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.4 mt -69.79 -71.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.6 m -41.47 -56.57 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.813 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 37.2 mt -39.57 -46.24 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 120.033 1.288 . . . . 0.0 113.044 170.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.75 -54.46 46.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.5 -27.68 66.36 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -70.27 -43.89 69.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.469 0.652 . . . . 0.0 110.853 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.58 -12.0 61.29 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.301 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -103.45 -21.39 13.8 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.634 173.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.78 24.7 2.09 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.389 1.055 . . . . 0.0 113.599 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.94 -12.47 60.03 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.4 152.83 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.441 1.115 . . . . 0.0 110.344 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.31 142.63 39.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.239 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.46 -19.19 61.73 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.277 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 73.5 m -81.37 -12.08 59.1 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.51 75.46 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.182 0.901 . . . . 0.0 111.754 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.253 1.285 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.67 -176.243 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.196 0 C4'-C3'-C2' 99.513 -3.187 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.868 0 O4'-C1'-N19 111.671 3.471 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.969 1 O4'-C1'-N19 112.273 4.073 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.06 0 C5'-C4'-O4' 114.427 3.734 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C5'-C4'-O4' 113.73 3.236 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.882 1 C5'-C4'-C3' 109.215 -4.19 . 0.806 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.801 0 C4'-C3'-C2' 99.221 -3.479 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 112.042 3.842 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . 0.45 HO2' " H5'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C4'-C3'-C2' 98.023 -4.677 . 0.906 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.482 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.539 2 O5'-C5'-C4' 116.996 4.854 . 0.718 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.482 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.405 -2.191 0 P-O3'-C3' 122.557 2.381 . 0.134 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 0 O5'-C5'-C4' 115.061 3.472 . 0.647 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.02 0 C5'-C4'-C3' 111.443 -2.705 . 0.413 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 2 C4'-C3'-C2' 97.999 -4.701 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 P-O3'-C3' 127.23 6.275 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.777 0 O4'-C1'-N19 111.535 3.335 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 1 O4'-C1'-N19 112.626 4.426 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.887 2 O4'-C1'-N19 113.13 4.93 . 0.779 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 O4'-C1'-N19 112.285 4.085 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.882 0 C5'-C4'-C3' 109.515 -3.99 . 0.925 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 2 C4'-C3'-C2' 98.435 -4.265 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 1 C4'-C3'-C2' 98.53 -4.17 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 O4'-C1'-N19 111.743 3.543 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 118.759 -0.638 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.81 171.52 12.08 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.909 2.406 . . . . 0.0 112.92 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -67.49 -171.71 0.2 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.778 1.231 . . . . 0.0 108.561 166.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 16.2 m -59.41 -17.5 31.13 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.037 -1.664 . . . . 0.0 113.734 169.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 38.7 mt 62.37 -27.48 0.06 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 130.459 3.503 . . . . 0.0 115.169 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 70.6 p -70.89 16.86 0.08 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 131.202 3.801 . . . . 0.0 114.08 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -93.25 128.34 43.22 Favored Pre-proline 0 CA--C 1.536 0.419 0 C-N-CA 127.244 2.218 . . . . 0.0 109.591 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.99 -24.95 23.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 121.663 1.575 . . . . 0.0 113.334 -169.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -73.52 -39.53 64.72 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -50.55 22.48 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.074 171.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.28 -38.57 74.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -64.5 -54.07 38.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.163 -0.961 . . . . 0.0 111.868 168.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -95.8 83.66 3.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.223 0.535 . . . . 0.0 112.003 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.4 mm -47.71 -41.8 40.4 Favored Pre-proline 0 N--CA 1.487 1.392 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -174.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.89 -42.97 55.02 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.531 2.154 . . . . 0.0 114.026 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.5 ttp -79.96 -26.07 40.17 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.684 -0.635 . . . . 0.0 111.955 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.63 -47.98 83.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.309 0.576 . . . . 0.0 110.584 166.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.03 -28.01 62.09 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.264 1.426 . . . . 0.0 113.897 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -52.8 -46.45 67.67 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 48.7 m -61.34 -21.27 63.86 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.1 mt -92.68 -8.6 43.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.242 1.417 . . . . 0.0 113.24 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.262 88.4 mmt-85 62.71 18.12 10.35 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 467' ' ' LYS . 80.2 mt -101.25 15.08 29.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.265 176.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -62.28 16.79 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -77.31 -24.66 50.84 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.463 1.125 . . . . 0.0 109.761 168.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.85 11.68 27.89 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.089 -1.869 . . . . 0.0 112.989 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.5 m -52.29 -40.69 62.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.38 -26.49 41.98 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.91 58.54 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.158 0.504 . . . . 0.0 111.325 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.37 -14.5 14.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.217 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 46.6 t -62.64 -20.91 65.27 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.11 2.13 20.91 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.0 m -136.11 116.87 11.43 Favored Pre-proline 0 N--CA 1.474 0.731 0 CA-C-N 118.037 0.919 . . . . 0.0 108.786 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -61.83 153.66 66.43 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.059 1.84 . . . . 0.0 110.67 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -54.33 -50.27 67.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.081 -173.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.6 tp -35.67 -27.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -117.05 -29.75 5.87 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.694 0.621 . . . . 0.0 111.335 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.44 -56.99 7.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.805 0.691 . . . . 0.0 110.214 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.319 38.4 pt -42.94 -33.69 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 173.373 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -83.62 6.48 20.63 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.84 168.96 2.77 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 122.324 1.059 . . . . 0.0 112.604 172.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -132.87 169.35 16.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.22 -51.73 61.21 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.283 1.039 . . . . 0.0 112.585 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.87 -43.72 92.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.04 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.8 m -64.42 -38.67 91.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.46 -48.17 82.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.428 0.558 . . . . 0.0 110.855 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.03 -41.37 71.26 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.995 -0.441 . . . . 0.0 111.991 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.7 -15.62 58.25 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -91.21 -10.37 41.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 113.18 13.15 11.11 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.631 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.4 t -104.4 65.47 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -29.35 64.17 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -167.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.51 139.86 51.7 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.938 0.79 . . . . 0.0 111.782 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.94 -48.33 81.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.368 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.25 -65.36 3.6 Favored Glycine 0 C--N 1.339 0.745 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.91 -70.1 0.08 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -47.02 -52.81 13.95 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -57.08 -39.6 75.31 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.812 0.733 . . . . 0.0 111.847 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -73.44 -24.54 60.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 117.849 -1.072 . . . . 0.0 113.124 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.14 -48.32 76.5 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.749 1.159 . . . . 0.0 108.843 168.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.4 mt -57.37 -38.75 74.71 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -61.38 -60.67 3.37 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.034 170.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.06 -47.36 44.97 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.098 0.874 . . . . 0.0 112.812 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -57.96 -49.43 76.82 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 129.333 3.053 . . . . 0.0 113.604 174.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.02 -29.34 74.6 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 120.247 -1.533 . . . . 0.0 111.436 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.88 -72.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.3 m -41.85 -56.27 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 117.802 -1.094 . . . . 0.0 113.923 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 49.5 mt -39.17 -45.82 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 119.926 1.239 . . . . 0.0 112.88 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.23 -50.29 74.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.983 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -64.47 -30.23 71.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 171.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -68.33 -39.64 81.86 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.833 0.742 . . . . 0.0 110.634 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.57 -5.95 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.744 -1.117 . . . . 0.0 112.699 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.07 -24.22 10.02 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.616 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 15.9 t70 83.46 17.21 0.26 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 124.938 1.399 . . . . 0.0 112.632 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.5 mp -76.72 -5.23 47.16 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.634 -0.666 . . . . 0.0 112.546 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.1 mm -64.36 144.26 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 0.0 110.015 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.22 145.03 44.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 122.754 1.264 . . . . 0.0 109.892 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -66.84 -11.19 54.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.274 -1.33 . . . . 0.0 114.396 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.6 m -86.18 -14.2 44.72 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.51 88.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.712 0.687 . . . . 0.0 111.463 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.172 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 0 C4'-C3'-C2' 99.503 -3.197 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 0 C4'-C3'-C2' 99.426 -3.274 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 C5'-C4'-O4' 114.008 3.435 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.919 0 C5'-C4'-C3' 109.749 -3.834 . 0.675 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.885 0 C4'-C3'-C2' 99.659 -3.041 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 C4'-C3'-C2' 99.223 -3.477 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.843 0 C4'-C3'-C2' 99.308 -3.392 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O4'-C1'-N19 111.895 3.695 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.927 1 C4'-C3'-C2' 98.167 -4.533 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.505 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.577 2 O5'-C5'-C4' 116.967 4.833 . 0.684 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.505 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.362 0 P-O3'-C3' 123.185 2.904 . 0.119 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.625 0 O5'-C5'-C4' 115.702 3.93 . 0.526 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . 0.45 " H3'" ' C8 ' ' B' ' 536' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.535 1.895 0 C5'-C4'-C3' 110.511 -3.326 . 0.486 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 2 C3'-C2'-C1' 106.78 5.867 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 2 P-O3'-C3' 129.088 7.823 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.829 0 C5'-C4'-O4' 114.088 3.491 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 1 O4'-C1'-N19 112.477 4.277 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.873 2 O4'-C1'-N19 112.717 4.517 . 0.76 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.95 2 O4'-C1'-N19 113.218 5.018 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 1 C4'-C3'-C2' 98.452 -4.248 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 2 O4'-C1'-N19 112.531 4.331 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 98.773 -3.927 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.782 3.582 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.27 161.39 7.13 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.782 2.988 . . . . 0.0 114.08 172.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -133.59 -44.35 0.82 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.214 1.406 . . . . 0.0 112.827 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 25.4 m -144.04 72.2 1.34 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.614 1.566 . . . . 0.0 110.43 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.07 -28.48 66.56 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.163 -0.96 . . . . 0.0 111.414 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.0 p -69.95 14.39 0.11 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 130.909 3.683 . . . . 0.0 114.464 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -90.94 129.19 45.04 Favored Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 126.276 1.83 . . . . 0.0 109.727 -169.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.11 -25.53 31.52 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 121.732 1.621 . . . . 0.0 113.284 -169.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -75.0 -43.48 53.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.782 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.9 mp -67.99 -47.93 67.16 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.379 0.424 . . . . 0.0 110.715 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.11 -44.05 87.5 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.51 0.596 . . . . 0.0 111.676 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -66.93 -28.43 68.29 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.581 -1.325 . . . . 0.0 114.506 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -117.87 82.38 1.82 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 0.0 112.052 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 18.6 mm -48.4 -41.49 46.5 Favored Pre-proline 0 N--CA 1.488 1.44 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.85 -38.61 85.76 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.699 2.266 . . . . 0.0 114.284 172.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.6 ttp -81.94 -30.82 31.57 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.092 -0.38 . . . . 0.0 111.854 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -58.39 -51.57 69.26 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.218 0.532 . . . . 0.0 111.13 168.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.39 -24.12 64.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.889 1.676 . . . . 0.0 113.487 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -50.79 -45.01 59.03 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.0 m -67.17 -16.66 64.44 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 87.4 mt -94.52 -8.39 38.47 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.862 1.265 . . . . 0.0 113.458 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 62.37 20.45 11.85 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 467' ' ' LYS . 83.2 mt -109.06 16.71 22.35 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.435 174.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -65.54 20.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 465' ' ' LEU . 29.5 mmmt -86.42 -29.1 23.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 168.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -92.77 10.76 29.48 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.671 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 67.0 m -49.63 -39.86 37.35 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.18 -24.75 47.05 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.281 0.946 . . . . 0.0 112.789 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.63 -19.32 57.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.1 0.476 . . . . 0.0 110.925 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . 0.427 HD23 ' HE3' ' A' ' 491' ' ' LYS . 73.6 mt -111.57 -18.41 12.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.987 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.7 t -67.6 -14.46 62.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 173.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -75.22 -1.48 64.18 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 114.949 0.74 . . . . 0.0 114.949 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.6 m -131.48 131.66 23.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 117.979 0.89 . . . . 0.0 109.241 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.11 157.78 56.71 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.129 1.886 . . . . 0.0 111.338 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.424 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.9 p-90 -60.55 -55.08 37.64 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.622 -172.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -34.18 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 172.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -117.08 -30.05 5.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.83 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.405 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.4 tp -46.43 -56.74 5.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 121.59 0.71 . . . . 0.0 110.557 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.49 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 42.2 pt -42.61 -34.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 175.142 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -85.08 4.34 34.6 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.95 168.25 1.35 Allowed 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 122.109 0.957 . . . . 0.0 112.469 171.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -127.71 165.5 19.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.865 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -52.48 -48.37 65.95 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.023 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.67 -44.39 90.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.021 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 10.4 m -63.74 -39.14 93.55 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.715 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -49.41 77.07 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 117.916 0.326 . . . . 0.0 111.252 173.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -42.27 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.286 0.494 . . . . 0.0 111.313 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.99 -9.94 59.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . 0.427 ' HE3' HD23 ' A' ' 472' ' ' LEU . 17.3 ttpt -95.74 -6.57 39.46 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 110.02 16.29 10.77 Favored Glycine 0 N--CA 1.473 1.161 0 O-C-N 123.094 0.246 . . . . 0.0 113.33 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 9.5 t -112.76 60.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.88 -31.85 73.17 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.99 -1.459 . . . . 0.0 114.206 -167.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.08 140.33 47.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.27 -47.64 82.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.183 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.77 -65.43 3.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.03 -66.87 0.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 169.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -63.11 -36.36 83.34 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.24 -40.04 92.56 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.65 1.114 . . . . 0.0 111.563 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -67.34 -28.69 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.86 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.13 -46.5 80.69 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.408 169.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.4 mt -57.28 -37.17 71.98 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.541 1.064 . . . . 0.0 113.28 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.2 -59.24 5.33 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.659 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.92 -47.96 51.98 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.603 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.21 -45.68 83.6 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 129.335 3.054 . . . . 0.0 113.139 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.14 -29.68 75.42 Favored Glycine 0 CA--C 1.526 0.757 0 O-C-N 119.876 -1.765 . . . . 0.0 111.825 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.78 -69.83 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 5.9 m -41.52 -56.82 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 C-N-CA 119.004 -1.078 . . . . 0.0 113.708 176.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 42.9 mt -39.28 -45.27 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 CA-C-N 119.684 1.129 . . . . 0.0 113.322 170.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.34 -51.06 71.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.909 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -62.66 -31.34 72.2 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 171.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -69.85 -37.97 76.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.909 0.777 . . . . 0.0 111.189 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -69.97 -11.13 60.64 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.159 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -102.34 -22.36 14.13 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.114 173.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 20.1 t70 78.83 20.74 0.76 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 124.843 1.339 . . . . 0.0 113.178 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.7 mp -78.2 -3.92 45.07 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.3 mm -64.25 142.47 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.513 0.673 . . . . 0.0 110.466 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.6 145.9 40.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.498 1.142 . . . . 0.0 109.757 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -64.19 -15.92 60.9 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.474 -1.239 . . . . 0.0 114.208 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -78.38 -15.78 58.33 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.03 -27.57 65.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.419 1.009 . . . . 0.0 112.545 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.695 -174.54 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.391 -3.309 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.897 0 C4'-C3'-C2' 99.117 -3.583 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.989 0 C5'-C4'-O4' 114.33 3.665 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.895 1 C5'-C4'-C3' 109.365 -4.09 . 0.646 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.812 0 C4'-C3'-C2' 99.463 -3.237 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 0 O4'-C1'-N19 111.834 3.634 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.009 0 C4'-C3'-C2' 99.364 -3.336 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.897 3.697 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . 0.441 HO2' " H5'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.091 1 C4'-C3'-C2' 98.342 -4.358 . 0.835 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.455 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.743 1 O4'-C1'-N19 112.639 4.439 . 0.649 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.455 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.402 -2.359 0 P-O3'-C3' 122.44 2.283 . 0.114 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.628 0 O5'-C5'-C4' 114.851 3.322 . 0.579 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.363 0 C5'-C4'-C3' 110.986 -3.009 . 0.087 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C4'-C3'-C2' 99.64 -3.06 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 0 C5'-C4'-C3' 112.11 -2.26 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 1.643 0 C4'-C3'-C2' 99.271 -3.429 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 1 O4'-C1'-N19 113.308 5.108 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.996 2 C4'-C3'-C2' 98.208 -4.492 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 2 O4'-C1'-N19 113.248 5.048 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 1 C4'-C3'-C2' 98.296 -4.404 . 0.622 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 2 O4'-C1'-N19 112.72 4.52 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.816 -3.884 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.329 -3.371 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.32 151.19 83.9 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.932 2.422 . . . . 0.0 111.772 173.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -153.31 -42.83 0.1 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.73 1.212 . . . . 0.0 112.234 173.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 15.6 m -60.73 5.63 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.481 2.312 . . . . 0.0 115.273 174.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.06 -40.18 84.35 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.28 1.432 . . . . 0.0 111.806 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.2 p -67.73 20.37 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.959 3.304 . . . . 0.0 114.849 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -108.96 128.59 25.19 Favored Pre-proline 0 N--CA 1.47 0.535 0 C-N-CA 125.718 1.607 . . . . 0.0 110.083 -168.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.59 -24.65 25.62 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.926 1.75 . . . . 0.0 113.376 -168.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.61 -39.07 62.39 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.728 0.411 . . . . 0.0 110.249 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.83 -48.46 58.9 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 170.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.99 -35.69 71.56 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -63.12 -53.81 47.64 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.93 -1.106 . . . . 0.0 111.799 168.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -96.82 85.11 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 27.1 mm -48.1 -41.63 43.77 Favored Pre-proline 0 N--CA 1.49 1.555 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.06 -34.9 98.58 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.257 2.638 . . . . 0.0 114.777 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.2 ttp -80.4 -31.9 37.62 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.725 -0.609 . . . . 0.0 111.48 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.57 -52.65 64.54 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.036 0.446 . . . . 0.0 111.597 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.0 -20.62 65.03 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.476 1.51 . . . . 0.0 113.934 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -50.73 34.89 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 4.9 t -60.78 4.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.0 mt -129.19 -15.05 4.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.256 2.222 . . . . 0.0 112.04 -174.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.33 1.3 mpp_? 62.99 23.98 14.31 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.084 1.421 . . . . 0.0 114.265 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.4 ' C ' ' H ' ' A' ' 467' ' ' LYS . 55.4 mt -102.48 10.84 38.66 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.718 -2.492 . . . . 0.0 109.242 167.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -64.32 13.58 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 465' ' ' LEU . 16.5 tppt? -82.03 -34.35 29.56 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 166.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -90.97 13.15 17.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.787 -173.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 54.8 m -47.97 -39.28 18.95 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.343 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -77.11 -25.32 52.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.23 1.377 . . . . 0.0 112.997 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.93 58.44 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.619 0.724 . . . . 0.0 110.375 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.93 -20.98 12.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.388 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 9.8 m -71.92 -12.69 61.38 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.47 1.83 18.64 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 119.446 -0.641 . . . . 0.0 114.431 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 15.2 m -137.66 134.67 18.44 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -72.07 158.16 52.85 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.859 1.706 . . . . 0.0 111.248 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.444 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.7 p-90 -60.2 -55.42 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.04 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.444 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -35.13 -26.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -116.38 -31.76 5.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.867 -0.587 . . . . 0.0 111.63 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.406 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 10.7 tp -44.87 -59.65 2.44 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-O 121.564 0.697 . . . . 0.0 110.508 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.44 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.318 39.3 pt -43.69 -32.29 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 175.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -86.34 4.69 38.12 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 171.14 0.76 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.954 0.883 . . . . 0.0 113.108 172.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.63 166.48 17.99 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.147 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.0 -49.79 62.62 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.395 1.093 . . . . 0.0 113.814 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.75 -40.04 84.16 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.002 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 6.7 m -62.64 -39.44 93.85 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.292 -0.88 . . . . 0.0 111.162 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.4 mp -56.21 -53.88 51.93 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.909 0.777 . . . . 0.0 111.44 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -61.19 -30.2 70.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 119.949 1.25 . . . . 0.0 113.969 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.59 -13.05 59.39 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -88.97 -12.07 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.55 13.8 7.87 Favored Glycine 0 N--CA 1.474 1.229 0 O-C-N 123.473 0.483 . . . . 0.0 113.733 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -109.33 62.69 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 122.776 1.274 . . . . 0.0 107.786 -174.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -37.23 85.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.763 -168.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -69.94 141.06 53.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.154 0.434 . . . . 0.0 111.327 -174.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.68 -42.41 92.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.815 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.92 -65.69 3.07 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.864 -0.409 . . . . 0.0 112.248 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.85 -57.52 0.45 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 168.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . 0.408 ' HA ' HD23 ' A' ' 488' ' ' LEU . 12.8 ttm180 -50.58 -59.92 3.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -55.9 -37.51 68.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.922 0.783 . . . . 0.0 112.89 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -65.14 -35.83 82.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.13 -50.71 67.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.731 0.696 . . . . 0.0 111.049 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.1 -35.26 74.83 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.148 0.885 . . . . 0.0 113.259 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -59.62 -61.09 2.88 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.412 169.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.49 41.13 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.44 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 10.9 m-30 -60.59 -42.45 96.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 129.754 3.222 . . . . 0.0 113.732 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.52 -30.59 73.14 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 119.48 -2.013 . . . . 0.0 112.088 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.82 -67.68 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 7.5 m -41.75 -56.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.604 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 38.4 mt -39.14 -45.38 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-N 119.985 1.266 . . . . 0.0 113.353 170.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.38 -54.04 51.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.561 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -61.15 -27.52 68.45 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -68.37 -43.41 77.41 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.727 0.775 . . . . 0.0 110.253 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.58 -8.77 56.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 113.831 -1.532 . . . . 0.0 112.234 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.68 -22.75 13.52 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.281 172.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 16.8 t70 85.74 16.38 0.13 Allowed 'General case' 0 N--CA 1.479 0.979 0 O-C-N 125.281 1.613 . . . . 0.0 113.005 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.93 -4.83 51.77 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 27.9 mm -54.57 -58.65 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 19.4 t70 107.18 149.81 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 127.842 3.214 . . . . 0.0 109.758 -170.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -70.08 -10.45 58.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 58.5 m -72.0 -25.44 61.83 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -74.13 -42.03 60.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.993 0.815 . . . . 0.0 112.49 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-N 113.894 -1.503 . . . . 0.0 113.795 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C4'-C3'-C2' 99.09 -3.61 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.945 0 C4'-C3'-C2' 98.984 -3.716 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 1 C4'-C3'-C2' 98.403 -4.297 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.026 0 C5'-C4'-O4' 114.234 3.596 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 C5'-C4'-O4' 113.532 3.095 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.921 0 C5'-C4'-C3' 109.662 -3.892 . 0.874 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.844 0 C5'-C4'-O4' 113.339 2.956 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 O4'-C1'-N19 112.156 3.956 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.929 1 C4'-C3'-C2' 98.204 -4.496 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.426 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.341 2 O5'-C5'-C4' 118.514 5.938 . 0.704 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.426 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.403 -2.315 0 P-O3'-C3' 123.291 2.993 . 0.124 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 1 O5'-C5'-C4' 116.84 4.743 . 0.537 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.553 0 C5'-C4'-C3' 110.919 -3.054 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 2 C3'-C2'-C1' 95.409 -6.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.518 0 O4'-C1'-N19 111.999 3.799 . 0.022 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.816 0 C4'-C3'-C2' 99.259 -3.441 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 1 O4'-C1'-N19 113.447 5.247 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 2 C4'-C3'-C2' 98.244 -4.456 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 O4'-C1'-N19 113.348 5.148 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.97 1 C4'-C3'-C2' 98.206 -4.494 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.963 2 O4'-C1'-N19 112.798 4.598 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.928 0 C4'-C3'-C2' 98.725 -3.975 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.678 3.478 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 58.7 ttm . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 118.83 -0.605 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.48 137.27 57.46 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.823 3.015 . . . . 0.0 113.669 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -141.13 -1.23 1.38 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 25.8 m -128.36 8.11 5.96 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.005 1.722 . . . . 0.0 113.038 -174.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.98 -34.72 77.09 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.082 -1.011 . . . . 0.0 111.934 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 77.5 p -68.72 24.92 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.773 3.629 . . . . 0.0 114.04 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.88 130.04 23.48 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 127.106 2.162 . . . . 0.0 109.425 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.28 -22.65 25.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 121.433 1.422 . . . . 0.0 113.238 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.74 -43.63 45.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.27 -51.06 65.4 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.41 -37.15 79.94 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -59.78 -53.58 56.25 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.64 -0.663 . . . . 0.0 112.674 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.79 95.66 5.69 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 122.387 1.089 . . . . 0.0 112.584 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.9 mm -45.87 -40.55 16.19 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-N 112.646 -2.07 . . . . 0.0 115.524 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.78 -38.74 78.17 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.0 1.8 . . . . 0.0 114.761 173.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 18.5 ttp -78.17 -32.26 50.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.196 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -56.76 -47.65 79.62 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 168.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.46 -28.28 69.56 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 173.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -52.36 -48.15 65.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 65.7 m -67.43 -8.49 33.61 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 72.7 mt -104.71 -6.59 20.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.364 1.465 . . . . 0.0 113.561 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 62.43 21.64 12.72 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -169.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 467' ' ' LYS . 82.9 mt -113.78 19.93 16.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.34 176.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -66.88 23.47 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 465' ' ' LEU . 16.6 tppt? -95.71 -38.77 10.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 168.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -90.68 6.79 42.52 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.439 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 11.0 p -52.3 -33.49 42.48 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -80.05 -28.31 39.26 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.08 -18.44 63.99 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.226 172.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.37 -14.69 12.75 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.13 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.8 t -64.96 -20.4 66.46 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.96 -2.39 38.33 Favored Glycine 0 CA--C 1.541 1.69 0 N-CA-C 115.223 0.849 . . . . 0.0 115.223 172.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 48.8 m -132.28 130.56 21.99 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 117.839 0.819 . . . . 0.0 109.43 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.22 160.53 48.67 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.061 1.841 . . . . 0.0 111.243 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.7 p-90 -60.8 -55.09 37.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.785 -170.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.433 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -35.25 -28.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 172.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -111.32 -32.67 6.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 123.454 0.471 . . . . 0.0 112.267 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.9 tp -49.74 -56.16 11.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.89 0.744 . . . . 0.0 110.064 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.496 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.324 36.4 pt -42.37 -37.33 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -79.05 2.08 21.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.81 169.19 1.48 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 122.316 1.055 . . . . 0.0 113.429 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -129.65 167.21 18.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -58.94 -40.86 85.93 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.52 -49.65 68.16 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 122.333 -0.229 . . . . 0.0 111.453 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 26.3 m -59.94 -36.56 77.33 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.789 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 5.5 mp -55.41 -53.21 59.11 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.317 170.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.2 -36.28 65.77 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -86.02 -9.94 55.9 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -96.34 -11.56 25.66 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.53 12.72 9.36 Favored Glycine 0 N--CA 1.474 1.228 0 CA-C-O 120.046 -0.308 . . . . 0.0 113.277 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 10.0 t -107.6 63.59 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 122.525 1.155 . . . . 0.0 108.161 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -39.85 82.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.99 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.61 140.14 55.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.119 0.485 . . . . 0.0 111.658 -175.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -61.68 -43.42 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.97 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.21 -65.75 3.25 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.59 -61.72 0.32 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.786 0.933 . . . . 0.0 113.188 167.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 17.8 ttp-105 -50.58 -57.64 7.69 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 34.8 mtp-105 -54.79 -37.57 66.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.847 0.749 . . . . 0.0 112.613 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.37 -33.26 72.79 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.589 -0.719 . . . . 0.0 112.129 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.03 -49.91 70.55 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.974 0.807 . . . . 0.0 111.086 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.59 -36.55 76.48 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.859 0.838 . . . . 0.0 112.701 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.95 -60.34 3.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.303 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.84 -47.51 31.36 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.307 1.004 . . . . 0.0 112.382 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.496 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.5 m-30 -56.68 -48.68 77.09 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 128.976 2.91 . . . . 0.0 113.815 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.96 -30.15 76.92 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 120.041 -1.662 . . . . 0.0 111.711 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.95 -71.64 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.1 m -41.72 -55.36 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 119.118 -1.033 . . . . 0.0 113.645 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 35.5 mt -39.13 -46.31 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 CA-C-N 119.457 1.026 . . . . 0.0 113.396 170.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -58.45 -56.12 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.944 0.777 . . . . 0.0 109.449 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.4 -26.41 63.22 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -69.95 -44.92 68.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.183 0.447 . . . . 0.0 110.567 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.08 -20.77 60.17 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -86.17 -23.09 26.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.656 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 72.42 25.06 2.82 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 124.488 1.117 . . . . 0.0 112.892 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.59 -11.91 59.91 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.8 mt -75.65 155.99 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.483 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.54 152.55 24.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 122.881 1.324 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.06 -14.73 62.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.083 -1.417 . . . . 0.0 114.404 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 21.0 m -83.23 -13.5 55.2 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.8 78.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.937 0.79 . . . . 0.0 111.251 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.255 1.356 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.047 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.054 0 C4'-C3'-C2' 99.508 -3.192 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.906 0 C4'-C3'-C2' 98.914 -3.786 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.87 1 C4'-C3'-C2' 98.498 -4.202 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.929 0 C4'-C3'-C2' 99.162 -3.538 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.942 0 O4'-C1'-N19 111.307 3.107 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 99.373 -3.327 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.913 0 C4'-C3'-C2' 99.292 -3.408 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 0 O4'-C1'-N19 112.025 3.825 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . 0.452 HO2' " H5'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.535 1.92 1 C4'-C3'-C2' 97.853 -4.847 . 0.882 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.469 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.529 2 O4'-C1'-N19 113.141 4.941 . 0.675 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.469 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.405 -2.21 0 P-O3'-C3' 122.848 2.624 . 0.136 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 1 O5'-C5'-C4' 116.461 4.472 . 0.557 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.645 0 C5'-C4'-C3' 110.523 -3.318 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 2 C3'-C2'-C1' 95.607 -6.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.311 2 P-O3'-C3' 125.605 4.921 . 0.14 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.914 0 C4'-C3'-C2' 99.464 -3.236 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 112.186 3.986 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.891 2 C5'-C4'-C3' 108.629 -4.58 . 0.769 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.686 3.486 . 0.973 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.867 0 C5'-C4'-C3' 109.972 -3.685 . 0.951 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 1 O4'-C1'-N19 112.735 4.535 . 0.909 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 1 C4'-C3'-C2' 98.559 -4.141 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 111.76 3.56 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.52 -19.08 22.15 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.246 2.631 . . . . 0.0 113.898 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt 48.84 -12.77 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 1 C-N-CA 132.147 4.179 . . . . 0.0 119.643 177.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 448' ' ' THR . 61.0 p -140.75 -84.04 0.22 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.286 1.434 . . . . 0.0 112.209 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 16.9 mt 63.64 -28.97 0.09 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 129.465 3.106 . . . . 0.0 114.168 -168.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 446' ' ' SER . 63.8 p -66.78 14.38 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.586 1 C-N-CA 132.75 4.42 . . . . 0.0 113.764 169.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.09 125.34 57.09 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 126.175 1.79 . . . . 0.0 108.937 -169.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.36 -28.08 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.678 1.585 . . . . 0.0 113.152 -168.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -70.89 -45.6 64.05 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -50.5 68.26 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.065 172.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.33 -36.98 74.21 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.58 -50.74 72.3 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.2 95.0 5.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 15.7 mm -47.52 -40.08 25.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.54 -43.2 46.32 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.951 1.767 . . . . 0.0 113.699 172.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.0 ttp -79.94 -29.93 39.82 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.529 0.604 . . . . 0.0 111.604 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -57.35 -48.58 78.64 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.498 -0.751 . . . . 0.0 111.17 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -72.08 -29.34 64.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.264 1.426 . . . . 0.0 113.323 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -53.34 -43.44 67.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 167.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 7.6 t -58.94 -18.0 29.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.83 -4.2 21.05 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.725 1.61 . . . . 0.0 113.353 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 61.75 15.88 7.38 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.6 mt -94.72 11.84 29.9 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -60.86 15.32 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.471 ' HB3' ' HE2' ' A' ' 467' ' ' LYS . 22.2 ttpt -80.99 -38.52 27.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.589 1.185 . . . . 0.0 110.181 168.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -84.79 11.48 9.07 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.269 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 62.8 p -55.03 -40.96 70.76 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -77.32 -25.48 51.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.55 1.068 . . . . 0.0 112.449 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.83 -26.14 59.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 63.2 mt -106.64 -17.8 14.14 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.857 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 25.6 t -65.76 -15.85 63.24 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.67 -2.3 43.32 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 119.188 -0.784 . . . . 0.0 115.054 170.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -131.93 133.7 24.35 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.827 0.814 . . . . 0.0 109.477 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.0 159.4 50.32 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.717 1.611 . . . . 0.0 111.139 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.9 p-90 -61.44 -55.89 26.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.354 -172.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.47 -25.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -115.77 -29.47 6.4 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.88 -55.01 12.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.586 0.554 . . . . 0.0 109.91 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.49 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 42.2 pt -43.0 -35.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 174.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -83.95 7.82 17.11 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.14 171.02 1.08 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.19 0.995 . . . . 0.0 112.564 171.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -133.19 168.55 18.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.195 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.64 -43.49 89.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.06 -44.11 80.96 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.954 -0.466 . . . . 0.0 111.948 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.0 m -62.68 -39.01 92.63 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 110.936 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.44 -46.8 88.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.337 0.517 . . . . 0.0 111.109 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.95 -41.14 70.73 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 118.195 0.452 . . . . 0.0 112.084 175.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.82 -15.98 46.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -86.37 -13.43 46.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.35 11.16 8.26 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 119.229 -0.761 . . . . 0.0 114.136 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.4 t -101.35 67.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.83 -25.66 59.16 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.03 140.27 52.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.837 1.199 . . . . 0.0 111.815 174.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.09 -45.63 93.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.615 170.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.05 -65.27 3.7 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -174.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.74 -67.43 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 166.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -46.02 -56.61 5.31 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.94 -33.32 71.74 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.714 0.688 . . . . 0.0 112.707 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -74.99 -28.45 60.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.923 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.08 -49.8 74.5 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.81 1.187 . . . . 0.0 108.976 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.11 -37.98 75.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.819 0.736 . . . . 0.0 112.946 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -60.83 -61.66 2.42 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.281 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.95 -51.66 22.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.189 0.931 . . . . 0.0 112.626 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.6 m-30 -52.72 -49.95 64.37 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 129.823 3.249 . . . . 0.0 112.979 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.92 -29.83 75.96 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.069 -1.644 . . . . 0.0 111.88 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.41 -71.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.7 m -41.45 -55.71 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 118.843 -1.143 . . . . 0.0 113.853 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 30.7 mt -38.73 -46.42 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 170.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -59.12 -55.57 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.239 0.962 . . . . 0.0 109.324 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.38 -29.47 64.1 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -69.51 -42.2 75.04 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 118.059 0.391 . . . . 0.0 110.519 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.28 -17.06 58.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -87.27 -23.34 24.72 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.876 172.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.6 t70 87.87 16.47 0.08 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.244 2.215 . . . . 0.0 112.593 172.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.42 -6.6 53.98 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.22 137.9 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 521' ' ' SER . 12.8 t0 -75.56 9.11 2.39 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -171.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.269 50.0 mmt-85 49.22 11.21 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 118.695 2.85 . . . . 0.0 118.695 -168.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 519' ' ' ASP . 49.3 m -109.82 -9.83 14.79 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.116 173.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -72.42 -28.27 62.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 . . . . . 0 C--O 1.254 1.315 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.882 -174.581 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 O4'-C1'-N19 111.129 2.929 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.01 0 C4'-C3'-C2' 99.375 -3.325 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.119 0 C5'-C4'-O4' 113.375 2.982 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.788 0 C5'-C4'-C3' 109.511 -3.992 . 0.428 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C5'-C4'-O4' 112.623 2.445 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 1 C5'-C4'-C3' 109.259 -4.161 . 0.766 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.907 0 C5'-C4'-O4' 113.833 3.309 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 1 O4'-C1'-N19 112.228 4.028 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.869 1 C4'-C3'-C2' 98.0 -4.7 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.492 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.532 2 O5'-C5'-C4' 118.008 5.577 . 0.642 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.492 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.4 -2.523 1 C3'-C2'-C1' 97.723 -4.196 . 0.155 2z . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O5'-C5'-C4' 114.92 3.372 . 0.533 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.254 0 C5'-C4'-C3' 110.299 -3.468 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C3'-C2'-C1' 104.074 2.86 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.289 1 P-O3'-C3' 127.747 6.706 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 1.552 0 C4'-C3'-C2' 99.206 -3.494 . 0.957 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 1 O4'-C1'-N19 112.202 4.002 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.693 2 O4'-C1'-N19 112.801 4.601 . 0.587 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 111.992 3.792 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.081 1 C5'-C4'-C3' 109.129 -4.247 . 0.93 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.081 1 O4'-C1'-N19 112.725 4.525 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.03 0 C4'-C3'-C2' 99.181 -3.519 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.422 3.222 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . 0.411 ' C ' ' H ' ' A' ' 446' ' ' SER . 82.5 Cg_exo -46.31 -64.76 0.22 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 125.018 3.812 . . . . 0.0 115.382 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 51.56 0.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 129.207 3.003 . . . . 0.0 117.387 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 444' ' ' PRO . 16.0 m -130.38 8.7 5.07 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.632 2.373 . . . . 0.0 112.64 -171.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.4 mt -71.63 -39.16 70.61 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.073 -1.017 . . . . 0.0 111.261 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 57.5 p -67.12 16.43 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 130.276 3.431 . . . . 0.0 115.08 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -98.91 132.4 23.76 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.329 1.851 . . . . 0.0 109.802 -169.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.02 -27.48 25.16 Favored 'Trans proline' 0 C--N 1.346 0.403 0 CA-C-N 121.236 1.477 . . . . 0.0 113.335 -168.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -72.24 -39.93 68.1 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.7 -46.71 52.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.871 172.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 51.2 mt -57.75 -42.8 84.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 118.368 0.531 . . . . 0.0 111.479 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -66.45 -29.59 69.76 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.335 -1.478 . . . . 0.0 114.511 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -122.32 86.63 2.61 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 122.314 1.054 . . . . 0.0 113.026 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.0 mm -50.05 -40.24 53.65 Favored Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.97 -44.98 34.79 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.89 2.394 . . . . 0.0 114.745 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 7.4 mtm -78.35 -30.66 48.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 121.392 -0.817 . . . . 0.0 111.395 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -56.75 -38.07 71.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.837 0.827 . . . . 0.0 110.969 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -82.9 -31.38 27.86 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.188 1.795 . . . . 0.0 114.274 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -49.78 -51.23 40.87 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 91.0 p -65.66 -16.34 63.64 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 68.1 mt -90.17 -9.26 48.85 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.653 1.581 . . . . 0.0 113.578 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 53.8 mmm-85 62.38 24.8 14.79 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.9 14.42 28.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.008 -0.996 . . . . 0.0 112.545 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -67.44 27.08 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.56 -41.27 60.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 164.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . 0.255 22.6 m-85 -86.77 -177.29 6.07 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 112.691 -2.049 . . . . 0.0 106.881 169.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 3.0 m 154.34 -66.86 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -68.52 -26.47 65.45 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.727 0.299 . . . . 0.0 111.662 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.93 -26.56 64.2 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 122.388 1.09 . . . . 0.0 112.139 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.8 mt -104.95 -16.94 14.69 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 113.822 -1.536 . . . . 0.0 110.339 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.6 p -65.67 -23.05 66.7 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.14 1.4 11.62 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.576 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 47.0 m -133.78 128.26 19.77 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.67 159.98 49.45 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.968 1.779 . . . . 0.0 110.663 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.425 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.1 p-90 -61.34 -56.48 19.96 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.847 -171.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.425 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.1 tp -33.36 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 170.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -115.17 -28.26 7.01 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.2 tp -49.49 -55.58 12.78 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 109.707 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.461 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.328 36.9 pt -43.32 -37.06 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 173.597 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -77.9 5.44 9.68 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 170.75 0.62 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.372 1.082 . . . . 0.0 113.678 174.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -134.28 171.21 14.57 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.561 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.02 -43.42 91.56 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.953 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.97 -46.88 76.47 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 28.0 m -62.77 -38.43 90.57 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.865 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.14 -45.52 94.32 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.81 0.732 . . . . 0.0 111.657 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -37.11 62.48 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 119.023 0.829 . . . . 0.0 111.862 171.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -82.53 -18.43 41.53 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -73.04 -24.68 60.74 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.757 0.423 . . . . 0.0 111.213 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.82 4.49 16.83 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.828 0.705 . . . . 0.0 113.614 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.5 68.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -33.75 68.04 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.2 -0.937 . . . . 0.0 112.789 -168.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.42 136.14 55.31 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.332 0.514 . . . . 0.0 111.855 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.582 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.38 -67.28 2.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.96 -67.1 0.14 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 166.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -45.08 -56.31 4.82 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.2 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -75.08 -26.67 59.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.575 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.71 -47.68 80.14 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.636 1.107 . . . . 0.0 109.302 167.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.38 -38.94 75.03 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.775 0.716 . . . . 0.0 112.846 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -62.49 -57.75 10.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.404 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.17 -52.1 28.59 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.027 0.829 . . . . 0.0 112.483 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.461 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.5 m-30 -51.31 -46.28 62.51 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.55 3.14 . . . . 0.0 113.449 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.52 78.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 120.151 -1.593 . . . . 0.0 112.121 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 9.7 mt -70.67 -69.97 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.7 m -41.81 -55.76 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.723 -1.191 . . . . 0.0 113.94 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 26.4 mt -38.44 -46.11 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 CA-C-N 119.5 1.046 . . . . 0.0 113.682 170.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.04 -56.08 26.81 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.863 0.727 . . . . 0.0 109.51 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -58.4 -25.91 62.65 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -71.78 -43.15 66.19 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.482 0.583 . . . . 0.0 111.067 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -75.17 -20.05 59.53 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -84.49 -28.33 26.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.679 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . 0.263 29.2 t70 74.66 28.41 1.21 Allowed 'General case' 0 CA--C 1.552 1.019 0 O-C-N 124.698 1.249 . . . . 0.0 113.197 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.9 mp -83.22 -8.37 59.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 38.8 mt -74.9 158.53 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.104 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -84.58 140.54 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 122.399 1.095 . . . . 0.0 110.91 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -58.64 -16.5 16.41 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 114.152 -1.386 . . . . 0.0 114.726 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 20.1 m -75.78 -17.14 59.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.18 72.84 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.031 0.832 . . . . 0.0 112.099 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.909 -1.042 . . . . 0.0 113.244 -175.276 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.259 0 O4'-C1'-N19 110.981 2.781 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.899 0 C4'-C3'-C2' 99.204 -3.496 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.092 0 C5'-C4'-O4' 113.995 3.425 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.869 0 C5'-C4'-C3' 109.506 -3.996 . 0.607 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 C4'-C3'-C2' 99.633 -3.067 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 C4'-C3'-C2' 99.08 -3.62 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.903 1 C4'-C3'-C2' 98.649 -4.051 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 111.65 3.45 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C5'-C4'-C3' 110.791 -3.14 . 0.891 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.25 2 C5'-C4'-C3' 106.567 -5.955 . 0.482 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.495 0 O5'-C5'-C4' 112.794 1.853 . 0.063 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.037 1 O5'-C5'-C4' 116.595 4.568 . 0.508 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 109.855 -3.764 . 0.162 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 2 C3'-C2'-C1' 107.017 6.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.901 2 P-O3'-C3' 127.956 6.88 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.774 0 C5'-C4'-O4' 114.098 3.499 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.944 3.744 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.888 2 C5'-C4'-C3' 108.174 -4.884 . 0.894 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.066 -3.634 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.96 0 C5'-C4'-C3' 110.101 -3.6 . 0.939 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 2 O4'-C1'-N19 112.479 4.279 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 1 C4'-C3'-C2' 98.603 -4.097 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.72 3.52 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.52 166.42 1.85 Allowed 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.855 3.037 . . . . 0.0 114.921 172.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.21 95.4 4.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.155 1.782 . . . . 0.0 109.95 178.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 6.9 t 36.34 74.08 0.08 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.748 2.419 . . . . 0.0 113.716 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.7 mt -64.96 -34.81 79.32 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.216 -0.927 . . . . 0.0 112.218 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 43.5 p -67.54 23.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 130.819 3.648 . . . . 0.0 114.888 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.81 130.51 23.67 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 127.165 2.186 . . . . 0.0 110.066 -170.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.81 -24.74 24.52 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.656 1.57 . . . . 0.0 113.286 -169.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -73.72 -45.74 50.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -53.25 55.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.018 172.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.9 mt -56.15 -42.4 76.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.04 -48.4 81.72 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.77 96.98 6.39 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 16.6 mm -45.86 -40.61 16.31 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.03 -44.71 36.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.148 1.899 . . . . 0.0 113.423 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.9 ttp -80.1 -30.12 39.13 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.293 0.497 . . . . 0.0 111.829 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -56.67 -48.02 78.53 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.683 -0.636 . . . . 0.0 111.05 166.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.09 -27.79 61.06 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.025 1.33 . . . . 0.0 113.64 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -54.19 -40.55 67.67 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.762 -0.587 . . . . 0.0 112.409 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 67.7 m -69.71 14.58 0.1 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 81.6 mt -138.66 -12.02 1.33 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.789 2.435 . . . . 0.0 112.689 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.265 1.4 mpt_? 62.04 24.93 14.91 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 123.273 1.511 . . . . 0.0 114.784 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 69.0 mt -104.98 14.77 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 111.878 -2.419 . . . . 0.0 109.046 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -63.96 7.32 0.13 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.08 -30.55 49.67 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -89.59 12.54 16.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.047 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 47.4 t -47.51 -54.06 12.65 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.47 -17.39 59.32 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.32 -17.17 59.56 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.877 174.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 74.4 mt -121.22 -14.99 8.26 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.221 -174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.7 p -64.63 -21.47 66.73 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.12 -1.07 39.13 Favored Glycine 0 CA--C 1.538 1.483 0 CA-C-O 119.103 -0.831 . . . . 0.0 115.141 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.5 m -130.16 127.94 22.68 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 118.194 0.997 . . . . 0.0 109.438 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.64 160.85 48.1 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.424 2.083 . . . . 0.0 111.354 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.422 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 35.5 p-90 -61.11 -53.98 50.33 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.066 -169.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.422 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -35.35 -27.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 172.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.33 -32.6 6.21 Favored 'General case' 0 C--O 1.226 -0.152 0 O-C-N 123.575 0.547 . . . . 0.0 112.395 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.21 -56.82 8.07 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.552 0.691 . . . . 0.0 110.229 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.457 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.311 38.9 pt -41.91 -37.64 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -76.18 -2.12 29.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.89 169.33 1.48 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -129.02 168.32 16.21 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.252 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.17 -41.83 89.35 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.02 -47.57 79.72 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 122.307 -0.246 . . . . 0.0 111.264 173.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 11.4 m -61.8 -36.51 81.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.566 -0.731 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.55 1.068 . . . . 0.0 111.256 171.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -34.08 57.41 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.766 -0.584 . . . . 0.0 112.053 172.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -85.69 -18.1 34.09 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -23.12 56.31 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.148 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 114.08 17.28 7.36 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 124.162 0.914 . . . . 0.0 113.622 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 22.7 t -107.59 63.37 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.31 -32.71 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.678 -168.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.82 141.5 48.02 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.665 0.666 . . . . 0.0 112.118 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -44.49 93.88 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 174.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.69 -66.31 2.93 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.78 -62.64 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 166.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -48.43 -56.8 7.25 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.07 -32.25 70.77 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.948 0.795 . . . . 0.0 112.656 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.92 -34.62 71.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.403 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.33 -52.41 64.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.325 0.966 . . . . 0.0 110.37 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.95 -36.28 74.55 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.719 0.771 . . . . 0.0 112.44 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -59.8 -59.15 5.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.718 168.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.16 -48.34 45.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.199 0.937 . . . . 0.0 112.009 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.457 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.7 m-30 -57.21 -45.21 84.0 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 129.817 3.247 . . . . 0.0 113.712 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.3 -29.81 74.71 Favored Glycine 0 CA--C 1.527 0.801 0 O-C-N 119.814 -1.804 . . . . 0.0 111.802 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.59 -70.45 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 5.2 m -41.83 -56.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 117.813 -1.089 . . . . 0.0 113.709 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 32.4 mt -39.43 -45.05 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 120.2 1.363 . . . . 0.0 113.405 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.7 -55.45 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.7 -29.86 62.87 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 172.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -72.06 -41.27 67.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.233 0.54 . . . . 0.0 111.639 176.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -69.51 -12.47 61.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.436 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -102.59 -22.28 14.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.554 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.34 26.58 2.63 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.41 1.069 . . . . 0.0 113.593 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.11 -8.71 59.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.25 154.34 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.325 1.059 . . . . 0.0 109.426 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.65 125.33 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.502 -1.226 . . . . 0.0 108.501 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -61.51 -7.69 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 40.7 m -71.33 -14.99 62.38 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 169.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.22 64.11 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.797 -169.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C4'-C3'-C2' 99.447 -3.253 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.884 0 O4'-C1'-N19 111.825 3.625 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.062 1 C4'-C3'-C2' 98.57 -4.13 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.012 0 C4'-C3'-C2' 99.328 -3.372 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C5'-C4'-O4' 113.586 3.133 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 0 C5'-C4'-C3' 109.765 -3.823 . 0.862 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.894 0 C4'-C3'-C2' 99.463 -3.237 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 1 O4'-C1'-N19 112.384 4.184 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.98 1 C4'-C3'-C2' 98.439 -4.261 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.448 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.539 2.243 2 O5'-C5'-C4' 118.093 5.638 . 0.747 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.448 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.539 2.24 0 P-O3'-C3' 123.431 3.11 . 0.104 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.833 0 O5'-C5'-C4' 115.641 3.886 . 0.487 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.214 0 C5'-C4'-C3' 111.008 -2.995 . 0.297 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 2 C4'-C3'-C2' 97.857 -4.843 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.296 1 P-O3'-C3' 126.878 5.982 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 1.602 0 C4'-C3'-C2' 99.113 -3.587 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 2 O4'-C1'-N19 113.351 5.151 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 2 O4'-C1'-N19 112.631 4.431 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 2 O4'-C1'-N19 113.111 4.911 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 1 C4'-C3'-C2' 98.009 -4.691 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 2 O4'-C1'-N19 112.619 4.419 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 98.771 -3.929 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 O4'-C1'-N19 111.675 3.475 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 118.878 -0.582 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.4 148.96 24.51 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 123.947 3.098 . . . . 0.0 113.912 172.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -146.05 -47.75 0.21 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.952 1.301 . . . . 0.0 112.524 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 16.4 m -65.25 0.45 1.4 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.084 1.753 . . . . 0.0 115.194 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.83 -39.55 92.18 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.607 -1.308 . . . . 0.0 112.806 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -68.79 18.51 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 128.64 2.776 . . . . 0.0 114.789 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.73 128.99 29.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 C-N-CA 125.441 1.496 . . . . 0.0 110.333 -169.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.19 -32.39 82.69 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.762 2.308 . . . . 0.0 114.165 -171.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -79.09 -32.61 44.75 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.304 0.241 . . . . 0.0 110.579 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.77 -49.85 35.25 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.41 0.284 . . . . 0.0 110.583 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.08 -38.07 72.79 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.77 -47.54 65.94 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.096 -1.003 . . . . 0.0 112.85 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -98.02 83.02 3.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.501 0.667 . . . . 0.0 112.009 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 28.8 mm -46.29 -40.41 18.14 Favored Pre-proline 0 N--CA 1.486 1.328 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.39 -36.08 68.86 Favored 'Trans proline' 0 C--N 1.353 0.775 0 CA-C-N 122.6 1.964 . . . . 0.0 112.919 174.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.3 ttp -77.45 -26.27 51.32 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.06 0.845 . . . . 0.0 111.706 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.6 -50.01 75.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.785 -0.572 . . . . 0.0 110.652 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -70.33 -27.15 64.14 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.437 1.095 . . . . 0.0 113.688 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -55.49 -42.26 74.17 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 167.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 47.6 m -66.74 14.88 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 175.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 86.4 mt -139.27 -16.04 1.08 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.854 2.462 . . . . 0.0 112.725 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 61.32 25.67 15.6 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 123.097 1.427 . . . . 0.0 114.343 -173.42 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' A' ' 467' ' ' LYS . 49.3 mt -105.48 13.97 29.35 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 111.988 -2.369 . . . . 0.0 108.698 168.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -64.48 11.31 0.05 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 465' ' ' LEU . 15.5 tppt? -71.19 -36.16 71.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.266 1.031 . . . . 0.0 109.869 171.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -94.75 16.11 16.63 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.151 -1.841 . . . . 0.0 111.15 -170.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -53.49 -38.24 63.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.99 -26.85 43.31 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.854 0.752 . . . . 0.0 112.347 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.08 62.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.271 0.557 . . . . 0.0 111.019 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.0 mt -107.07 -13.84 15.08 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.283 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 45.4 t -61.19 -24.08 66.06 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.87 2.88 10.94 Favored Glycine 0 CA--C 1.541 1.66 0 N-CA-C 115.746 1.058 . . . . 0.0 115.746 173.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 76.7 m -137.76 127.87 15.43 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 118.51 1.155 . . . . 0.0 109.817 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.46 158.95 50.29 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.203 1.935 . . . . 0.0 111.241 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.449 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.0 p-90 -60.23 -56.31 23.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 118.971 -0.537 . . . . 0.0 111.068 -172.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.5 tp -34.84 -26.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 172.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -114.77 -33.42 5.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.788 0.435 . . . . 0.0 111.675 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.7 tp -45.57 -57.91 3.81 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.825 0.703 . . . . 0.0 110.78 174.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.498 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.312 42.1 pt -42.12 -35.23 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.136 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.95 2.99 28.13 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -57.44 168.34 0.82 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 175.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -127.09 166.88 16.79 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.833 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.77 -37.95 86.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.259 -0.276 . . . . 0.0 111.368 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.4 m -60.09 -38.77 83.92 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.26 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -51.43 67.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.703 0.683 . . . . 0.0 111.202 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.71 -40.5 72.5 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.01 -11.62 56.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -92.95 -15.65 26.04 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 120.41 12.53 6.17 Favored Glycine 0 N--CA 1.475 1.247 0 CA-C-O 119.886 -0.397 . . . . 0.0 114.041 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.8 64.55 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -28.9 66.33 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -166.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.85 142.15 47.98 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.322 0.965 . . . . 0.0 112.199 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.0 -41.35 99.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.345 168.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.16 -68.32 1.75 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.42 -65.06 0.19 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -56.93 -45.71 82.55 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -170.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 46.5 ttm-85 -63.63 -34.09 77.05 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.654 0.661 . . . . 0.0 111.881 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -69.44 -31.6 70.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.915 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.31 -47.73 81.01 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.633 1.106 . . . . 0.0 110.384 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.27 -37.62 78.08 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -64.44 -55.95 17.44 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.186 171.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.2 -48.44 45.28 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.209 0.943 . . . . 0.0 112.037 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.498 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.6 m-30 -55.22 -48.25 74.18 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 128.925 2.89 . . . . 0.0 113.533 172.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.54 -29.22 73.97 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 119.987 -1.696 . . . . 0.0 112.026 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.6 mt -71.03 -70.32 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.3 m -41.67 -56.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 C-N-CA 118.716 -1.193 . . . . 0.0 113.624 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 37.6 mt -38.93 -44.71 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.02 -54.64 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.981 0.801 . . . . 0.0 109.086 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -57.72 -29.31 64.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.35 -41.18 73.49 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 118.322 0.51 . . . . 0.0 111.017 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -76.9 -18.06 58.55 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -85.59 -22.46 28.03 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.563 170.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 14.6 t70 83.87 15.89 0.26 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 125.747 1.904 . . . . 0.0 112.751 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.09 -5.88 46.56 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.25 132.89 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.613 0.72 . . . . 0.0 111.307 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 521' ' ' SER . 10.7 m-20 -70.3 9.42 0.6 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -172.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.257 37.6 mmt-85 51.98 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.348 0.51 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 -168.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 519' ' ' ASP . 34.0 m -93.2 -15.86 25.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.509 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.19 -27.72 63.71 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.999 -176.645 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.054 0 C4'-C3'-C2' 99.636 -3.064 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.858 0 C4'-C3'-C2' 98.956 -3.744 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.934 1 C4'-C3'-C2' 98.426 -4.274 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.961 0 C5'-C4'-O4' 114.006 3.433 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.902 0 C4'-C3'-C2' 99.284 -3.416 . 0.9 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.992 0 O4'-C1'-N19 111.886 3.686 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.215 0 C4'-C3'-C2' 99.459 -3.241 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 O4'-C1'-N19 112.055 3.855 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 1 C4'-C3'-C2' 98.224 -4.476 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.439 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.477 2 O5'-C5'-C4' 117.867 5.476 . 0.728 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.439 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.405 -2.166 0 P-O3'-C3' 123.405 3.087 . 0.095 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 1 O5'-C5'-C4' 116.307 4.362 . 0.445 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.07 0 C5'-C4'-C3' 110.57 -3.287 . 0.172 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 C3'-C2'-C1' 96.186 -5.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.426 1 P-O3'-C3' 124.559 4.049 . 0.115 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.808 0 C5'-C4'-O4' 113.864 3.332 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 2 O4'-C1'-N19 112.888 4.688 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 2 C4'-C3'-C2' 98.453 -4.247 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 2 O4'-C1'-N19 112.821 4.621 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 1 C4'-C3'-C2' 98.29 -4.41 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 C4'-C3'-C2' 98.28 -4.42 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 1 C4'-C3'-C2' 98.491 -4.209 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 99.21 -3.49 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.16 -1.4 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.44 6.87 3.31 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 123.204 2.603 . . . . 0.0 115.033 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.62 -82.85 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 128.531 2.732 . . . . 0.0 112.781 -169.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 50.8 m -146.42 86.28 1.68 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.707 1.603 . . . . 0.0 110.187 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt -67.19 -29.08 68.66 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.726 -0.609 . . . . 0.0 111.745 170.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 74.2 p -69.17 15.94 0.06 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 131.256 3.822 . . . . 0.0 114.399 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.7 131.64 28.94 Favored Pre-proline 0 N--CA 1.467 0.419 0 C-N-CA 127.057 2.143 . . . . 0.0 109.967 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.6 -25.04 21.31 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.472 1.448 . . . . 0.0 113.474 -169.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -73.78 -41.06 62.95 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.02 -52.07 27.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.577 172.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.88 -40.17 75.7 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.29 -40.91 96.91 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.11 87.05 2.42 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.0 mm -46.78 -41.93 30.51 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.11 -38.63 94.55 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.705 2.27 . . . . 0.0 114.988 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.7 ttp -81.9 -29.04 32.55 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.757 -0.589 . . . . 0.0 111.174 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -58.13 -47.17 84.12 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.951 -0.468 . . . . 0.0 111.027 166.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.6 tp -66.24 -23.47 66.42 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -54.55 -41.1 69.39 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 166.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.2 m -68.44 -14.42 62.99 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.82 -4.1 33.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.973 1.309 . . . . 0.0 112.985 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.292 21.8 mmt180 58.89 38.75 24.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.654 1.216 . . . . 0.0 113.826 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.77 -59.38 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 112.026 -2.352 . . . . 0.0 107.411 167.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 30.13 30.47 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -176.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -118.17 -39.07 3.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.624 0.726 . . . . 0.0 110.316 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -82.66 14.47 3.12 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.756 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 14.6 m -53.77 -31.44 48.66 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.94 -27.29 30.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.943 0.792 . . . . 0.0 112.497 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 122.215 1.007 . . . . 0.0 111.017 174.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.8 mt -95.54 -11.59 27.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.062 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 13.1 t -68.37 174.99 3.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.796 0.808 . . . . 0.0 110.925 167.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.93 5.39 39.4 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 121.646 -0.659 . . . . 0.0 112.781 -167.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.4 m -137.27 117.86 10.67 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -70.27 160.91 47.93 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.329 2.019 . . . . 0.0 110.44 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -61.65 -55.73 27.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.126 -171.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -33.83 -27.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 170.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -113.35 -28.84 7.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 12.1 tp -51.36 -54.77 23.15 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.722 0.772 . . . . 0.0 109.441 177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.49 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.324 37.8 pt -43.46 -34.92 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 173.033 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -81.44 4.81 19.68 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.16 168.12 1.51 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 122.492 1.139 . . . . 0.0 112.819 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.0 168.25 15.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.535 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -58.3 -43.99 88.32 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.83 -44.39 96.94 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.955 -0.466 . . . . 0.0 111.621 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.6 m -66.83 -35.66 80.56 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.357 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -45.73 93.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.253 1.388 . . . . 0.0 110.687 171.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -37.11 62.96 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.611 -0.681 . . . . 0.0 111.613 171.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -84.82 -17.92 36.58 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -72.02 -35.03 69.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.427 0.558 . . . . 0.0 110.517 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 126.58 19.5 2.06 Favored Glycine 0 CA--C 1.535 1.337 0 O-C-N 124.253 0.97 . . . . 0.0 113.292 -169.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.76 63.65 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -176.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -31.95 69.07 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 114.471 -1.24 . . . . 0.0 114.129 -168.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.25 142.92 52.27 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.575 0.625 . . . . 0.0 110.538 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.54 -44.8 89.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.987 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.03 -64.05 4.4 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.81 -62.9 0.28 Allowed 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.544 0.791 . . . . 0.0 112.965 167.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 32.6 ttp-105 -53.84 -50.3 66.52 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -60.11 -37.43 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 111.947 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -65.16 -32.23 73.81 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.846 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.35 -47.91 69.05 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.758 0.708 . . . . 0.0 110.549 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.36 -38.73 81.16 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.091 0.86 . . . . 0.0 113.103 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -62.71 -56.66 15.57 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.602 172.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.5 43.14 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 124.202 0.939 . . . . 0.0 112.64 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -54.35 -46.41 72.93 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 128.847 2.859 . . . . 0.0 113.281 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 -30.01 75.87 Favored Glycine 0 CA--C 1.525 0.711 0 O-C-N 119.842 -1.786 . . . . 0.0 112.015 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.77 -70.86 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 5.0 m -41.87 -57.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 CA-C-O 117.655 -1.164 . . . . 0.0 113.755 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 42.6 mt -39.4 -45.16 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 CA-C-N 120.018 1.281 . . . . 0.0 112.926 170.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.44 -54.96 41.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -59.47 -29.84 68.1 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -68.94 -42.57 76.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.447 0.567 . . . . 0.0 110.411 176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.95 -13.27 62.16 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.367 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -97.77 -21.39 16.99 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.329 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.23 20.89 1.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.912 1.383 . . . . 0.0 113.126 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -4.95 46.71 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.35 139.81 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.659 0.742 . . . . 0.0 110.514 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -75.49 148.58 38.89 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 123.037 1.399 . . . . 0.0 110.326 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -67.31 -6.82 20.32 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 49.2 m -98.3 -9.01 26.12 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.7 73.39 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.723 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.546 -178.72 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 0 O4'-C1'-N19 111.369 3.169 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 C4'-C3'-C2' 99.327 -3.373 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.908 0 C5'-C4'-O4' 113.926 3.375 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.819 1 C5'-C4'-C3' 109.336 -4.109 . 0.608 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.922 0 C4'-C3'-C2' 99.445 -3.255 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.135 0 C4'-C3'-C2' 98.93 -3.77 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.834 0 C5'-C4'-O4' 113.377 2.983 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.937 3.737 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.944 1 C4'-C3'-C2' 98.577 -4.123 . 0.869 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.528 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.538 2.137 2 O5'-C5'-C4' 117.886 5.49 . 0.762 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.528 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C3'-C2'-C1' 98.287 -3.57 . 0.144 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O5'-C5'-C4' 115.093 3.495 . 0.562 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . 0.424 " H3'" ' C8 ' ' B' ' 536' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.534 1.882 0 C5'-C4'-C3' 110.874 -3.084 . 0.392 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.078 0 O4'-C1'-N19 111.77 3.57 OUTLIER-EPSILON 0.174 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.902 1 P-O3'-C3' 128.87 7.642 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.844 0 C4'-C3'-C2' 99.505 -3.195 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 1 O4'-C1'-N19 112.377 4.177 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.835 1 O4'-C1'-N19 112.551 4.351 . 0.725 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.931 1 O4'-C1'-N19 113.512 5.312 . 0.896 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 1 C4'-C3'-C2' 98.122 -4.578 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 1 O4'-C1'-N19 112.705 4.505 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 1 C4'-C3'-C2' 98.587 -4.113 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 O4'-C1'-N19 111.639 3.439 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.39 107.84 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.669 3.579 . . . . 0.0 114.328 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.19 -29.26 70.64 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -170.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 33.0 t -158.63 -56.35 0.07 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 25.6 mt 62.18 -48.94 0.16 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 128.906 2.883 . . . . 0.0 114.392 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -62.74 20.24 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 130.683 3.593 . . . . 0.0 114.947 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.99 128.22 32.82 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 126.915 2.086 . . . . 0.0 109.324 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.76 -23.81 30.37 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 121.812 1.675 . . . . 0.0 113.627 -168.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -48.46 79.81 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.071 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.77 -40.05 78.86 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.28 -49.36 78.12 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.205 -0.934 . . . . 0.0 113.481 171.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.03 101.15 8.5 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.685 1.231 . . . . 0.0 113.848 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.97 -37.3 13.45 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-N 113.086 -1.87 . . . . 0.0 115.515 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -54.06 -38.19 87.0 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.584 2.189 . . . . 0.0 115.042 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 39.5 mtp -76.63 -41.02 47.44 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.259 -0.9 . . . . 0.0 110.753 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -53.02 -48.48 67.53 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.216 0.531 . . . . 0.0 112.231 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.03 -25.04 61.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.855 1.662 . . . . 0.0 113.476 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.14 -48.33 44.84 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -58.74 -16.85 18.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 125.687 1.867 . . . . 0.0 115.524 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 78.7 mt -101.79 -8.26 21.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.318 1.447 . . . . 0.0 113.94 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.255 34.2 mmt180 64.32 14.73 8.95 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -170.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 467' ' ' LYS . 88.1 mt -99.59 13.98 31.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.178 175.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -62.76 13.17 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 465' ' ' LEU . 16.9 tppt? -78.87 -33.86 45.46 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.726 0.774 . . . . 0.0 108.913 167.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -91.82 11.29 25.26 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.778 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 57.8 m -51.54 -35.14 39.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.78 -26.15 44.41 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 112.736 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -77.99 -21.34 51.0 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.194 0.521 . . . . 0.0 110.697 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.3 -15.79 13.88 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.904 -175.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 38.6 t -72.18 -12.5 61.2 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -72.62 1.83 34.86 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 114.603 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 4.0 m -138.78 134.09 16.96 Favored Pre-proline 0 N--CA 1.474 0.726 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.52 161.28 44.56 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.443 2.095 . . . . 0.0 111.368 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.443 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -61.94 -56.56 17.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.477 -172.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.443 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -34.08 -26.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 171.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -115.34 -27.92 7.06 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.404 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.9 tp -48.94 -55.78 10.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.673 0.749 . . . . 0.0 109.677 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.499 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.329 38.1 pt -42.97 -36.31 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 174.007 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -80.12 2.19 25.03 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.16 169.65 1.52 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 122.493 1.14 . . . . 0.0 112.793 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -130.73 167.37 18.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.673 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.59 -43.6 84.76 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.31 -45.27 76.99 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.929 -0.482 . . . . 0.0 111.885 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 48.3 m -62.04 -40.53 96.08 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.848 -0.532 . . . . 0.0 110.595 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.56 -47.43 86.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.976 0.353 . . . . 0.0 111.174 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -53.0 -41.25 64.45 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 117.973 0.351 . . . . 0.0 111.702 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.15 -11.78 57.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -88.35 -12.34 43.67 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.02 16.58 6.7 Favored Glycine 0 N--CA 1.474 1.215 0 O-C-N 123.56 0.537 . . . . 0.0 113.527 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.6 t -109.04 64.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.4 -26.78 61.13 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.366 -1.288 . . . . 0.0 114.289 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.67 140.5 44.27 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.555 0.616 . . . . 0.0 111.547 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.72 -44.23 93.81 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.17 168.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.28 -66.18 3.03 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.72 -67.84 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 O-C-N 124.833 0.961 . . . . 0.0 113.13 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -46.53 -54.85 8.52 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -59.02 -36.18 74.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.62 -27.9 64.43 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 118.098 -0.954 . . . . 0.0 112.549 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.51 -49.63 68.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.3 0.954 . . . . 0.0 109.596 169.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.11 -37.31 74.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -63.27 -58.89 5.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.789 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.91 50.05 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.161 0.913 . . . . 0.0 112.348 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.499 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.57 -49.63 75.76 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 130.258 3.423 . . . . 0.0 113.203 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.81 -29.73 75.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 119.778 -1.826 . . . . 0.0 111.812 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 26.3 mt -70.51 -71.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.1 m -41.4 -54.97 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.303 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 41.5 mt -38.93 -47.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-N 119.824 1.193 . . . . 0.0 113.528 170.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.04 -55.29 37.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.985 0.898 . . . . 0.0 109.741 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -58.7 -27.68 65.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -68.88 -45.3 71.34 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 122.9 0.48 . . . . 0.0 110.759 174.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.06 -19.31 61.2 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -88.88 -25.68 22.01 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.161 172.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.53 27.08 3.92 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.586 1.179 . . . . 0.0 113.061 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.09 -7.18 56.64 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.92 157.37 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.071 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.42 139.37 39.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.283 1.039 . . . . 0.0 109.589 174.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.57 -12.54 33.63 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 18.4 m -75.93 -15.96 60.09 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.4 75.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.359 0.981 . . . . 0.0 112.074 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--O 1.252 1.228 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.948 -176.726 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.127 0 C4'-C3'-C2' 99.099 -3.601 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 C4'-C3'-C2' 99.157 -3.543 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.764 0 O4'-C1'-N19 112.128 3.928 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.969 1 C5'-C4'-O4' 115.108 4.22 . 0.629 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C4'-C3'-C2' 99.126 -3.574 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.952 0 O4'-C1'-N19 111.673 3.473 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.755 0 C4'-C3'-C2' 98.817 -3.883 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 1 O4'-C1'-N19 112.264 4.064 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.066 1 C4'-C3'-C2' 98.382 -4.318 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.473 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.538 2.155 2 O5'-C5'-C4' 116.463 4.473 . 0.737 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.473 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.402 -2.367 0 P-O3'-C3' 122.699 2.499 . 0.128 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.461 0 P-O3'-C3' 123.923 3.52 . 0.589 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.202 0 C5'-C4'-C3' 110.091 -3.606 . 0.099 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C3'-C2'-C1' 94.959 -7.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.172 1 O4'-C1'-N19 112.422 4.222 . 0.152 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.918 0 C5'-C4'-O4' 114.011 3.437 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 2 O4'-C1'-N19 113.283 5.083 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 2 C4'-C3'-C2' 98.305 -4.395 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 98.96 -3.74 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.836 0 C5'-C4'-C3' 109.634 -3.911 . 0.854 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 2 O4'-C1'-N19 112.684 4.484 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 1 C4'-C3'-C2' 98.527 -4.173 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 111.525 3.325 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -67.14 160.84 45.55 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.955 2.437 . . . . 0.0 113.235 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -142.97 162.82 34.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 127.207 2.203 . . . . 0.0 109.645 171.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 19.4 m 51.91 26.36 3.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.761 1.224 . . . . 0.0 114.225 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.13 -38.15 90.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.393 -1.442 . . . . 0.0 110.609 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 68.4 p -71.06 15.88 0.1 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.443 3.497 . . . . 0.0 115.334 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.81 134.3 23.27 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 126.175 1.79 . . . . 0.0 110.241 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.65 -24.83 25.15 Favored 'Trans proline' 0 C--N 1.345 0.373 0 CA-C-N 121.345 1.516 . . . . 0.0 113.347 -169.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -75.65 -40.77 55.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.19 -49.87 52.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.974 170.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.21 -38.98 81.23 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.205 0.457 . . . . 0.0 111.991 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -73.17 -26.33 61.14 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 171.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -118.39 83.05 1.95 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.505 0.669 . . . . 0.0 111.687 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.2 mm -49.04 -41.68 55.63 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -172.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.36 -37.1 88.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.653 2.235 . . . . 0.0 114.035 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 27.5 ttp -81.33 -30.63 33.79 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.837 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -57.06 -50.26 73.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.509 0.671 . . . . 0.0 111.387 168.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.0 tp -62.95 -27.96 69.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.666 1.186 . . . . 0.0 112.364 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 466' ' ' HIS . 0.9 OUTLIER -56.95 -7.08 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.462 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.4 m -99.26 5.62 46.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.85 -13.42 6.37 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -174.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . 0.44 ' HA ' ' NE2' ' A' ' 466' ' ' HIS 0.372 46.1 mmt-85 64.97 30.4 11.87 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 123.325 1.536 . . . . 0.0 114.029 -171.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.427 ' C ' ' H ' ' A' ' 467' ' ' LYS . 56.8 mt -116.57 11.54 14.79 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 111.364 -2.653 . . . . 0.0 110.632 173.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 461' ' ' LYS . 2.6 p80 -69.3 20.39 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -177.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 465' ' ' LEU . 26.8 mmmt -91.7 -26.82 18.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.023 168.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -89.93 10.65 23.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.938 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -50.85 -35.6 33.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.25 -27.77 47.66 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.542 1.064 . . . . 0.0 112.57 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.96 -27.64 61.95 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.395 0.617 . . . . 0.0 110.55 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 59.6 mt -104.1 -16.75 15.17 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.126 -174.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 43.7 t -66.43 -19.35 65.77 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.84 0.08 23.23 Favored Glycine 0 CA--C 1.542 1.729 0 N-CA-C 115.756 1.063 . . . . 0.0 115.756 174.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 55.1 m -137.11 133.0 18.3 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.954 0.877 . . . . 0.0 109.376 -177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.34 160.23 49.38 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.985 1.79 . . . . 0.0 111.185 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.9 p-90 -60.35 -57.64 11.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.952 -0.547 . . . . 0.0 110.62 -171.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.7 tp -34.39 -26.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 171.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -114.33 -30.82 6.47 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.2 tp -47.93 -56.66 7.08 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.78 0.8 . . . . 0.0 109.817 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.488 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.322 38.5 pt -43.07 -35.7 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 174.269 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -80.13 0.49 31.97 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.34 170.72 0.91 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.255 1.026 . . . . 0.0 113.646 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -128.03 165.59 20.02 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.356 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -57.71 -41.4 81.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.6 -41.67 79.27 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.777 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 8.8 m -62.68 -39.39 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.436 -0.79 . . . . 0.0 110.954 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 499' ' ' ARG . 4.2 mp -54.69 -54.77 37.38 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.413 173.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.48 -29.86 70.9 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 121.193 1.815 . . . . 0.0 113.284 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -73.76 -16.93 61.15 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -88.83 -13.76 38.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.99 14.39 7.89 Favored Glycine 0 N--CA 1.476 1.351 0 O-C-N 123.662 0.601 . . . . 0.0 113.966 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -107.2 65.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 122.519 1.152 . . . . 0.0 108.156 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -38.6 77.24 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.612 -1.176 . . . . 0.0 113.174 -168.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.9 134.23 49.31 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -59.42 -41.54 89.77 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.31 -67.3 2.27 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.54 -62.32 0.35 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 166.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . 0.402 ' HA ' HD23 ' A' ' 488' ' ' LEU . 8.5 ttm180 -49.98 -58.71 4.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -59.51 -33.56 71.5 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.743 0.702 . . . . 0.0 111.921 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.85 -32.66 71.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.65 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.05 -49.64 75.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.364 0.984 . . . . 0.0 110.28 168.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.55 -34.83 74.71 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.866 0.841 . . . . 0.0 112.964 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.25 -58.83 6.27 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.148 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.09 -45.69 32.92 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.029 0.831 . . . . 0.0 112.223 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.488 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.3 m-30 -58.35 -46.67 85.83 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 129.889 3.276 . . . . 0.0 113.208 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.26 74.85 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 119.803 -1.81 . . . . 0.0 111.896 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.8 mt -69.75 -71.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 3.8 m -41.36 -56.83 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.676 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 36.7 mt -39.29 -45.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 119.694 1.133 . . . . 0.0 113.301 170.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.57 -54.64 44.77 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.6 -29.47 68.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 174.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -67.36 -44.58 78.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.648 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.19 -10.76 60.3 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.409 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.72 -21.38 13.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.453 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.3 t70 71.73 25.34 3.25 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.308 1.005 . . . . 0.0 113.193 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.57 -6.7 56.26 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 45.1 mt -79.93 157.06 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 122.553 1.168 . . . . 0.0 109.677 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -75.69 140.89 42.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.82 1.295 . . . . 0.0 110.468 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.433 ' HA ' ' CE2' ' A' ' 523' ' ' TYR 0.263 15.7 tpt85 -50.95 -28.46 9.85 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 112.51 -2.132 . . . . 0.0 113.266 170.608 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 22.2 m -72.78 -14.64 61.57 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.88 60.67 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.691 1.132 . . . . 0.0 111.513 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.433 ' CE2' ' HA ' ' A' ' 520' ' ' ARG . 13.1 m-30 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.98 -173.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 99.436 -3.264 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 0 C4'-C3'-C2' 99.268 -3.432 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.065 0 C5'-C4'-O4' 114.118 3.513 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.088 1 C5'-C4'-C3' 108.563 -4.624 . 0.517 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C4'-C3'-C2' 100.008 -2.692 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.881 0 C5'-C4'-C3' 109.867 -3.756 . 0.829 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 0 O4'-C1'-N19 111.204 3.004 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O4'-C1'-N19 111.669 3.469 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.153 1 C4'-C3'-C2' 98.312 -4.388 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.409 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.473 2 O5'-C5'-C4' 117.988 5.563 . 0.739 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.409 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.542 2.472 0 P-O3'-C3' 123.867 3.472 . 0.088 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.664 1 O5'-C5'-C4' 116.71 4.65 . 0.422 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 0 C5'-C4'-C3' 110.378 -3.415 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 1 C3'-C2'-C1' 96.225 -5.861 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.51 0 O4'-C1'-N19 111.747 3.547 . 0.04 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.859 0 C5'-C4'-O4' 113.961 3.4 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 2 O4'-C1'-N19 113.24 5.04 . 0.849 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.025 2 C4'-C3'-C2' 98.327 -4.373 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.995 2 O4'-C1'-N19 113.021 4.821 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.013 1 C4'-C3'-C2' 98.418 -4.282 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 2 O4'-C1'-N19 112.341 4.141 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.985 1 C4'-C3'-C2' 98.696 -4.004 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 O4'-C1'-N19 111.66 3.46 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -55.1 -14.89 9.42 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 124.569 3.513 . . . . 0.0 117.314 175.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm 58.22 -80.05 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 129.092 2.957 . . . . 0.0 113.627 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 55.4 p -148.39 88.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.143 1.777 . . . . 0.0 110.446 -174.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.419 ' HB3' ' HE1' ' A' ' 459' ' ' TRP . 2.1 mm? -63.36 -24.34 67.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.296 1.038 . . . . 0.0 111.997 169.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 16.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 1 C-N-CA 133.41 4.684 . . . . 0.0 114.277 -174.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.25 121.32 63.99 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 126.446 1.899 . . . . 0.0 109.129 -171.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.44 -22.52 38.94 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.161 1.907 . . . . 0.0 112.908 -169.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -71.47 -53.43 13.98 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -60.26 -47.25 86.79 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.663 175.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.26 -41.49 88.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -59.01 -50.55 73.68 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.43 -0.794 . . . . 0.0 112.833 170.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.25 98.35 7.06 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.952 1.358 . . . . 0.0 113.54 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.1 mm -45.43 -39.41 10.01 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.273 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.95 -44.73 26.84 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.695 2.264 . . . . 0.0 115.577 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.6 mtp -80.25 -31.7 38.43 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.838 0.745 . . . . 0.0 111.027 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . 0.419 ' HE1' ' HB3' ' A' ' 447' ' ' LEU . 54.4 t90 -52.12 -49.86 62.83 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.51 -0.744 . . . . 0.0 112.531 170.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.01 -28.33 65.41 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 173.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -53.34 -46.96 69.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.137 1.335 . . . . 0.0 112.98 173.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.9 m -65.15 -2.3 2.8 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.5 mt -120.44 -2.88 9.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.245 1.818 . . . . 0.0 114.293 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 62.19 13.26 5.7 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -169.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 92.1 mt -95.87 10.63 36.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.411 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -66.83 13.78 0.05 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -88.84 -28.44 20.4 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 171.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -99.7 6.44 45.57 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.024 -175.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 56.3 m -49.73 -36.12 24.48 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.52 -31.47 47.58 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.57 -17.87 63.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.121 174.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 46.4 mt -112.54 -13.27 13.35 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.762 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.2 t -67.76 -21.0 65.29 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -68.21 -0.57 16.33 Favored Glycine 0 CA--C 1.54 1.653 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.789 170.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.4 m -134.37 128.83 19.44 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 117.854 0.827 . . . . 0.0 109.506 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.14 161.53 44.37 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.269 1.98 . . . . 0.0 111.231 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 32.2 p-90 -61.05 -56.94 15.08 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.481 -171.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.6 tp -34.36 -27.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 171.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -109.4 -34.55 6.5 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.993 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.431 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.8 tp -46.16 -57.61 4.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 124.132 0.895 . . . . 0.0 110.49 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.508 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.332 37.3 pt -42.66 -35.7 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 175.184 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -81.43 2.03 30.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -59.28 167.94 1.64 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.418 1.104 . . . . 0.0 113.229 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -127.78 164.77 21.44 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.027 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -58.74 -38.79 79.18 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.21 -41.8 76.61 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 23.6 m -62.73 -39.76 95.07 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 120.973 -1.08 . . . . 0.0 110.731 173.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -55.31 29.39 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.025 174.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -65.01 -28.1 69.27 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 121.456 1.935 . . . . 0.0 114.051 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.42 -11.57 59.91 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.945 -1.097 . . . . 0.0 113.658 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.01 -12.76 21.57 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 119.79 11.5 7.07 Favored Glycine 0 N--CA 1.477 1.4 0 O-C-N 123.282 0.364 . . . . 0.0 113.919 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.13 62.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.683 1.23 . . . . 0.0 108.388 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -32.97 74.73 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -168.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.67 144.18 56.53 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.451 0.643 . . . . 0.0 111.122 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -35.1 76.64 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.62 -0.675 . . . . 0.0 111.05 169.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.44 -63.61 4.54 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.7 -68.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.946 1.027 . . . . 0.0 113.578 168.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -55.87 -45.29 78.56 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.993 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.23 -34.17 75.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.988 0.813 . . . . 0.0 112.117 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.74 -34.93 77.81 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.927 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.62 -51.69 64.15 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.658 0.663 . . . . 0.0 110.021 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -36.49 73.83 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt -63.96 -56.65 13.6 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.35 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -52.23 -45.5 65.32 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 122.426 1.107 . . . . 0.0 112.351 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.508 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.2 m-30 -54.69 -37.66 66.08 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 128.356 2.662 . . . . 0.0 112.608 169.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.23 -32.31 75.99 Favored Glycine 0 CA--C 1.524 0.605 0 O-C-N 119.753 -1.842 . . . . 0.0 112.549 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 2.3 mp -63.31 -72.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 119.709 1.754 . . . . 0.0 109.201 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 4.2 m -41.54 -60.19 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-O 118.013 -0.994 . . . . 0.0 113.369 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 27.6 mt -38.55 -46.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.46 -56.85 16.45 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.18 -28.69 65.01 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.11 -42.74 72.24 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 122.647 0.379 . . . . 0.0 110.273 177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.46 -21.76 59.44 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -83.73 -22.18 32.06 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.889 171.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.2 t70 73.96 22.88 2.32 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 124.925 1.391 . . . . 0.0 113.058 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -3.95 45.23 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.0 mm -57.25 143.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.716 0.77 . . . . 0.0 109.939 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 521' ' ' SER . 12.8 m-20 -69.0 3.29 2.11 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 177.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.294 14.5 mmt180 47.29 7.64 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 118.831 2.9 . . . . 0.0 118.831 -167.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 519' ' ' ASP . 66.8 m -104.73 -12.52 16.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.633 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.32 -27.43 67.15 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 172.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--O 1.255 1.375 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -175.202 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.225 -3.475 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.877 0 C4'-C3'-C2' 98.808 -3.892 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.851 1 C4'-C3'-C2' 98.414 -4.286 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.975 0 C5'-C4'-O4' 114.306 3.647 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C5'-C4'-O4' 113.136 2.811 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 C5'-C4'-C3' 110.148 -3.568 . 0.85 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 0 C4'-C3'-C2' 99.58 -3.12 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 112.113 3.913 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 532' ' ' ' U' . . . . . 0.438 " H2'" ' C6 ' ' B' ' 533' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.917 2 O4'-C1'-N19 112.627 4.427 . 0.864 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 533' ' ' ' C' . . . . . 0.438 ' C6 ' " H2'" ' B' ' 532' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.223 2 O5'-C5'-C4' 117.646 5.319 . 0.582 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 534' ' ' ' U' . . . . . 0.429 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C3'-C2'-C1' 99.409 -2.324 . 0.054 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.454 0 C5'-C4'-C3' 111.634 -2.577 . 0.35 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 C5'-C4'-C3' 109.96 -3.693 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 2 C3'-C2'-C1' 94.856 -7.382 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 1 O4'-C1'-N19 112.81 4.61 . 0.115 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.839 0 C5'-C4'-O4' 113.905 3.361 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 2 O4'-C1'-N19 113.143 4.943 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 2 C4'-C3'-C2' 98.413 -4.287 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 O4'-C1'-N19 112.08 3.88 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.825 0 C5'-C4'-C3' 109.625 -3.917 . 0.945 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 1 C4'-C3'-C2' 98.65 -4.05 . 0.891 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 1 C4'-C3'-C2' 98.537 -4.163 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.828 3.628 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 21.6 mt . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.4 p -68.63 27.26 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 130.734 3.614 . . . . 0.0 113.645 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -108.03 126.78 28.96 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 126.974 2.11 . . . . 0.0 108.985 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -70.44 -24.84 26.12 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 121.924 1.749 . . . . 0.0 113.235 -168.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.06 -41.8 61.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -48.68 64.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 171.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.8 -43.12 90.46 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.475 0.58 . . . . 0.0 112.092 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -68.11 -29.68 68.66 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -115.36 82.99 1.84 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.291 0.567 . . . . 0.0 111.827 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 33.8 mm -46.11 -42.71 28.62 Favored Pre-proline 0 N--CA 1.486 1.341 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.56 -41.74 59.23 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 122.558 2.172 . . . . 0.0 114.255 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.6 ttp -84.12 -26.0 29.25 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.744 -0.598 . . . . 0.0 111.883 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -58.64 -46.7 86.56 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.574 0.702 . . . . 0.0 110.161 166.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.27 -25.76 59.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.057 1.743 . . . . 0.0 114.385 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -54.42 -47.82 72.36 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.4 m -64.82 -2.7 2.71 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.3 mt -119.86 2.04 11.03 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.561 1.945 . . . . 0.0 113.653 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 57.99 16.39 3.72 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 20.4 mt -104.33 7.1 35.67 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -60.08 6.15 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -86.23 -28.52 23.79 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.596 0.712 . . . . 0.0 109.984 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -91.96 12.3 22.23 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.877 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 80.5 p -57.79 -32.05 67.15 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.951 -1.093 . . . . 0.0 113.776 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.95 -25.95 40.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.376 0.989 . . . . 0.0 112.329 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.79 -28.02 60.56 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.902 0.858 . . . . 0.0 111.271 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.06 -13.08 18.36 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.142 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 21.6 t -69.95 174.96 4.74 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.567 0.699 . . . . 0.0 111.343 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.07 8.42 49.5 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.534 -0.729 . . . . 0.0 113.168 -168.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 44.3 m -139.29 121.05 9.98 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.94 160.76 46.84 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.108 1.872 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.3 p-90 -61.2 -56.51 19.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.276 -173.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.42 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -34.17 -26.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -113.05 -38.76 4.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.757 0.423 . . . . 0.0 111.903 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 6.6 tp -45.51 -60.14 2.34 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.524 0.515 . . . . 0.0 109.723 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.563 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.276 38.8 pt -41.13 -36.39 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 176.722 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.408 ' CD1' HG13 ' A' ' 481' ' ' ILE . 11.7 m-30 -74.77 -6.13 47.19 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 155.34 0.97 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 124.458 2.075 . . . . 0.0 115.493 172.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -113.27 166.68 11.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 109.446 -3.525 . . . . 0.0 111.413 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.41 -41.14 72.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.58 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.827 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 5.7 m -58.2 -44.98 88.37 Favored 'General case' 0 C--O 1.223 -0.322 0 O-C-N 121.44 -0.788 . . . . 0.0 110.689 173.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -48.49 81.45 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.526 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -64.43 -27.95 69.34 Favored 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 118.81 -2.431 . . . . 0.0 113.086 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -78.63 -19.53 52.44 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -74.4 -31.68 62.42 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.289 0.495 . . . . 0.0 110.926 172.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 122.27 14.57 4.45 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.853 0.721 . . . . 0.0 113.662 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -102.39 63.87 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 122.188 0.994 . . . . 0.0 108.48 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.17 -29.64 64.21 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -168.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.69 139.71 58.8 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.863 0.756 . . . . 0.0 111.201 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.64 -44.14 94.74 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.121 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -63.05 -59.49 8.98 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.16 -69.46 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 167.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.01 -45.67 79.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -57.46 -38.96 75.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.697 0.399 . . . . 0.0 111.645 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.83 -25.22 56.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.123 -0.942 . . . . 0.0 112.243 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.78 -48.98 74.72 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 119.631 1.105 . . . . 0.0 109.114 167.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.8 mt -57.42 -37.48 72.84 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -62.62 -60.11 3.98 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.38 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.54 -47.4 39.26 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.078 0.861 . . . . 0.0 112.194 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.563 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.7 m-30 -58.15 -47.05 84.56 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 129.347 3.059 . . . . 0.0 113.911 174.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.54 -29.66 75.77 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 119.877 -1.765 . . . . 0.0 111.716 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.5 mt -70.73 -70.69 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.551 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.7 m -42.08 -56.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.564 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.551 ' H ' HG23 ' A' ' 509' ' ' VAL . 35.7 mt -39.8 -44.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 CA-C-N 119.645 1.111 . . . . 0.0 113.348 170.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.38 -55.12 39.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.95 -28.58 67.76 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.698 1.369 . . . . 0.0 114.698 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -67.08 -45.45 77.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.512 0.672 . . . . 0.0 110.703 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -71.04 -12.08 61.32 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.493 -1.231 . . . . 0.0 112.407 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -102.66 -19.9 14.62 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.234 -0.889 . . . . 0.0 112.096 174.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.8 t70 77.57 18.74 1.28 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 124.686 1.241 . . . . 0.0 113.455 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.3 mp -76.12 -10.02 59.08 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 36.3 mt -79.68 152.86 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 122.39 1.09 . . . . 0.0 110.227 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.45 147.51 32.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.523 1.154 . . . . 0.0 110.141 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 41.9 mmt-85 -63.04 -15.37 56.27 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.51 -1.223 . . . . 0.0 114.096 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 16.3 m -76.7 -16.72 59.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.9 77.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.361 0.982 . . . . 0.0 111.833 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.253 1.279 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.176 -175.679 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 448' ' ' THR . . . . . 0.474 HG21 ' CG ' ' A' ' 512' ' ' TYR . 67.7 p -73.5 22.37 0.08 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.832 2.853 . . . . 0.0 113.085 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.18 125.98 45.99 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 127.726 2.411 . . . . 0.0 108.45 -170.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.83 -25.19 33.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 121.718 1.612 . . . . 0.0 113.262 -169.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.26 -43.19 57.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.627 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.75 -49.09 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.373 0.421 . . . . 0.0 110.645 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 60.3 mt -57.73 -43.51 85.35 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.24 0.473 . . . . 0.0 111.931 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -70.44 -25.68 63.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -118.36 82.74 1.89 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.513 0.673 . . . . 0.0 111.833 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 31.5 mm -46.67 -41.6 27.39 Favored Pre-proline 0 N--CA 1.486 1.347 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.73 -40.95 77.91 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.42 2.08 . . . . 0.0 113.876 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.2 ttp -82.38 -26.17 33.1 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.721 -0.612 . . . . 0.0 111.815 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -60.11 -46.42 89.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.749 -0.594 . . . . 0.0 110.394 166.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.5 -30.39 64.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.795 1.238 . . . . 0.0 113.583 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -53.2 -43.53 67.27 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 167.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.1 m -66.1 -3.27 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.57 -6.18 12.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.203 1.801 . . . . 0.0 113.218 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 60.51 25.34 14.98 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -170.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 69.8 mt -109.66 15.72 22.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.731 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -62.95 19.07 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -80.63 -25.48 38.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.375 0.607 . . . . 0.0 109.604 170.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.7 16.31 21.48 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.853 -1.521 . . . . 0.0 111.5 -171.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 65.1 m -51.63 -49.26 62.61 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.26 -24.36 60.45 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.005 0.821 . . . . 0.0 112.343 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.92 -21.52 54.74 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.377 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.5 mt -108.89 -18.56 13.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.858 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 37.6 m -68.71 -14.05 62.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.72 -0.78 42.76 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.893 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -132.42 130.41 21.84 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 158.63 54.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 121.97 1.78 . . . . 0.0 111.192 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.68 -54.36 46.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.464 -171.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.8 tp -35.0 -27.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -116.9 -29.89 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.932 0.493 . . . . 0.0 111.98 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 12.2 tp -48.68 -55.28 11.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.908 0.861 . . . . 0.0 110.683 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.572 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.315 40.6 pt -42.39 -33.18 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 173.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -85.52 5.63 30.59 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.98 169.69 1.42 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.142 0.972 . . . . 0.0 112.576 171.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.96 164.92 23.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.882 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -51.76 -48.07 63.87 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.123 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.59 -45.77 88.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.896 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 55.8 m -64.37 -36.64 84.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 118.69 -0.671 . . . . 0.0 111.091 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -49.8 75.69 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.976 0.807 . . . . 0.0 110.965 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.19 -37.72 67.43 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 122.013 -0.43 . . . . 0.0 112.065 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -87.26 -5.56 58.88 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.39 -1.444 . . . . 0.0 114.462 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -98.52 -6.78 29.52 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 112.52 11.47 14.98 Favored Glycine 0 N--CA 1.477 1.392 0 CA-C-N 117.679 0.218 . . . . 0.0 113.224 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 4.7 t -109.92 61.37 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.401 HD22 ' H ' ' A' ' 494' ' ' LEU . 0.8 OUTLIER -63.52 -32.13 73.5 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.813 -167.701 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.24 139.59 46.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.649 0.738 . . . . 0.0 112.522 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.47 -46.72 81.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.564 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.14 -61.3 7.58 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.06 -67.58 0.13 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 168.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.19 -36.58 84.09 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -60.61 -33.42 72.73 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.811 1.187 . . . . 0.0 112.357 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -75.94 -25.38 55.87 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.087 -0.959 . . . . 0.0 112.71 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.76 -47.84 76.69 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.362 0.983 . . . . 0.0 109.022 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.07 -37.79 77.91 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.005 0.82 . . . . 0.0 113.068 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -62.43 -58.23 8.37 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.517 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.97 43.24 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.129 0.893 . . . . 0.0 112.391 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.572 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.1 m-30 -57.83 -47.1 83.64 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 129.754 3.222 . . . . 0.0 113.81 173.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.07 -29.67 75.96 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 119.73 -1.856 . . . . 0.0 111.887 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.2 mt -70.39 -71.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.567 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.4 m -41.39 -56.53 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.567 ' H ' HG23 ' A' ' 509' ' ' VAL . 39.9 mt -39.11 -45.88 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-N 119.423 1.011 . . . . 0.0 113.186 170.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.1 -55.22 37.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 512' ' ' TYR . . . . . 0.474 ' CG ' HG21 ' A' ' 448' ' ' THR . 8.1 m-85 -59.71 -27.43 66.44 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -70.99 -42.12 70.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.27 0.557 . . . . 0.0 110.945 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.24 -13.84 62.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.44 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -100.87 -21.13 15.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.482 -0.77 . . . . 0.0 112.032 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.99 22.64 2.35 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 113.435 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.36 -11.02 59.92 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.8 mt -73.68 153.32 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 122.325 1.059 . . . . 0.0 110.606 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.0 148.05 34.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.692 1.234 . . . . 0.0 110.942 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -64.35 -17.85 64.1 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.182 -1.372 . . . . 0.0 114.522 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 75.6 m -81.86 -12.49 58.45 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.74 -33.91 74.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.778 1.172 . . . . 0.0 111.771 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.254 1.325 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.185 -175.844 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 120.929 0.395 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 36.6 p -71.29 60.28 0.29 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 129.059 2.944 . . . . 0.0 112.74 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -134.9 126.99 18.11 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 127.297 2.239 . . . . 0.0 108.756 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.3 -24.68 26.93 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.801 1.668 . . . . 0.0 113.131 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -73.23 -43.99 60.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.2 -51.38 64.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.175 171.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.05 -39.37 78.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' LYS . . . . . 0.406 ' HA ' ' HE3' ' A' ' 454' ' ' LYS . 1.9 tpmt? -59.48 -49.66 76.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.586 -0.696 . . . . 0.0 112.764 173.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.52 97.85 6.87 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 32.0 mm -43.26 -43.0 9.79 Favored Pre-proline 0 N--CA 1.483 1.202 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.2 -42.16 54.96 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.211 1.94 . . . . 0.0 114.158 173.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 17.7 ttp -81.41 -30.71 33.49 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 111.656 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -56.1 -45.15 79.54 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.836 0.744 . . . . 0.0 110.721 166.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.05 -26.9 59.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.98 1.712 . . . . 0.0 114.604 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -54.09 -46.87 72.16 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 168.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.1 m -63.28 -0.67 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 174.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.51 -3.8 8.82 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.963 1.705 . . . . 0.0 114.957 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 62.48 15.97 8.29 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -171.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.0 mt -98.41 1.82 47.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.247 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -62.27 8.42 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -79.52 -35.29 40.25 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.41 -0.806 . . . . 0.0 109.274 166.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -92.36 14.21 17.17 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.163 -172.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 37.2 m -53.09 -32.11 45.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.49 -32.19 37.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.29 0.95 . . . . 0.0 113.429 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.9 -26.81 66.17 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.835 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.94 -13.43 16.91 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 28.4 t -69.03 174.33 4.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.591 0.71 . . . . 0.0 111.599 168.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 69.75 5.56 51.96 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 121.597 -0.689 . . . . 0.0 113.375 -168.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.0 m -136.68 107.22 9.09 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -63.17 156.71 53.66 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.469 2.113 . . . . 0.0 110.469 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -57.31 -50.41 73.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.457 -170.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tp -36.08 -25.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -117.08 -30.4 5.68 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.321 0.648 . . . . 0.0 111.55 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.4 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 10.6 tp -51.26 -59.43 4.22 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.508 HD12 HG12 ' A' ' 510' ' ' ILE 0.315 31.0 pt -42.76 -36.48 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 173.85 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.416 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.6 m-30 -77.87 8.58 4.43 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 177.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 175.01 0.12 Allowed 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 123.415 1.579 . . . . 0.0 112.955 169.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -138.78 170.17 16.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 112.618 -2.083 . . . . 0.0 108.225 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.34 -40.05 81.13 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.14 -42.33 80.3 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.6 m -61.17 -42.6 98.86 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 110.71 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.34 -48.4 81.47 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.053 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.74 -30.21 71.26 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 122.996 2.634 . . . . 0.0 112.742 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.57 -17.76 55.65 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.46 -31.41 62.23 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.501 0.592 . . . . 0.0 111.09 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 125.1 14.5 3.32 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 123.84 0.713 . . . . 0.0 113.827 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 18.1 t -102.5 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 121.97 0.89 . . . . 0.0 108.714 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -25.91 57.66 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.1 138.29 56.99 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.276 0.56 . . . . 0.0 111.224 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.05 -47.86 84.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.607 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.07 -62.15 6.37 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.94 -66.08 0.13 Allowed 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.916 1.009 . . . . 0.0 113.372 167.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.17 -54.12 28.34 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -55.9 -36.24 67.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.15 -32.19 71.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.549 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.39 -49.12 70.5 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.66 0.663 . . . . 0.0 109.865 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.01 -38.51 70.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -65.19 -59.22 4.32 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.141 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.79 -49.24 39.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 124.142 0.901 . . . . 0.0 112.087 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.503 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.1 m-30 -56.08 -45.78 79.26 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 129.644 3.177 . . . . 0.0 113.729 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.74 -29.98 75.55 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 119.697 -1.877 . . . . 0.0 111.983 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -71.73 -68.56 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.6 m -41.15 -57.53 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 118.907 -1.117 . . . . 0.0 113.71 175.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.57 ' H ' HG23 ' A' ' 509' ' ' VAL . 34.9 mt -39.41 -43.99 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 CA-C-N 119.902 1.228 . . . . 0.0 113.527 170.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -55.56 33.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.99 -25.66 63.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 172.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -72.79 -41.52 64.89 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.423 0.63 . . . . 0.0 110.899 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -70.92 -19.0 62.63 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.002 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -91.51 -22.85 20.17 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.782 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.8 t70 74.45 21.04 2.4 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.621 1.201 . . . . 0.0 113.728 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.99 -8.59 57.66 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.6 mt -77.42 148.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 122.629 1.204 . . . . 0.0 110.303 -176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -81.36 142.62 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.56 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 35.1 mmt-85 -62.52 -13.66 33.15 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 114.568 -1.196 . . . . 0.0 114.159 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 23.8 m -77.92 -16.29 58.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.16 79.16 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.604 0.638 . . . . 0.0 111.743 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--O 1.254 1.302 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.491 -176.6 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.223 -0.309 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 79.4 p -66.44 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.616 3.166 . . . . 0.0 114.345 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -102.3 127.16 31.26 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 126.844 2.058 . . . . 0.0 109.562 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.48 -28.34 32.34 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 121.888 1.726 . . . . 0.0 112.585 -168.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -72.31 -39.86 67.92 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.811 0.444 . . . . 0.0 110.109 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.37 -49.6 47.5 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.34 -38.03 70.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.548 0.574 . . . . 0.0 112.548 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -65.03 -53.24 49.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.167 -0.958 . . . . 0.0 111.924 168.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -93.72 82.6 4.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.177 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.6 mm -45.46 -43.12 23.2 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -175.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.49 -40.58 78.21 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.498 2.132 . . . . 0.0 114.691 172.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.3 ttp -82.18 -26.61 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.594 -0.691 . . . . 0.0 111.677 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.607 -0.683 . . . . 0.0 110.173 166.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.39 -25.67 61.58 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.089 1.356 . . . . 0.0 114.265 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -55.96 -45.14 78.95 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 167.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 8.8 t -60.99 -10.62 6.1 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 173.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 71.2 mt -115.06 2.89 14.3 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.315 1.846 . . . . 0.0 114.026 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 56.89 21.79 6.48 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.66 12.03 19.66 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.551 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -61.59 10.79 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -83.88 -28.49 27.91 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -96.12 10.92 36.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.86 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 51.1 m -53.92 -34.72 60.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -81.93 -27.32 33.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.45 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.347 0.594 . . . . 0.0 110.439 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 58.9 mt -97.11 -9.14 28.57 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.354 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.1 t -68.37 170.17 9.36 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.556 0.693 . . . . 0.0 111.006 167.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 70.89 6.37 59.71 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.333 -0.854 . . . . 0.0 113.65 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 38.0 m -134.76 120.7 14.49 Favored Pre-proline 0 N--CA 1.471 0.593 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.78 158.12 58.01 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.388 2.059 . . . . 0.0 110.564 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.431 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 39.3 p-90 -62.14 -54.05 46.67 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.851 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.431 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.0 tp -34.3 -25.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 170.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -118.96 -28.9 5.43 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 483' ' ' LEU . 12.5 tp -49.27 -54.53 16.4 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.712 0.768 . . . . 0.0 110.232 175.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.575 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.32 37.0 pt -42.31 -35.26 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 173.806 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -84.59 9.5 13.53 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.0 OUTLIER -58.92 170.08 0.9 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.484 1.135 . . . . 0.0 111.956 169.5 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -132.73 164.86 25.84 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.46 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -57.82 -39.34 77.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.18 -43.97 69.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 38.1 m -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.016 -1.052 . . . . 0.0 110.447 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.2 mt -56.71 -53.63 55.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.945 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.92 -31.91 73.09 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 122.174 2.261 . . . . 0.0 113.709 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -77.76 -13.07 60.0 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.909 -1.119 . . . . 0.0 113.658 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -93.7 -15.87 24.82 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 121.85 12.91 5.24 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 114.222 0.449 . . . . 0.0 114.222 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 13.2 t -106.96 64.12 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 122.643 1.211 . . . . 0.0 108.888 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.37 -34.44 76.07 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.2 140.86 58.21 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.821 0.819 . . . . 0.0 110.861 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.8 -41.5 99.31 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.061 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.49 -62.66 5.37 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.84 -68.91 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 169.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -55.05 -45.62 75.27 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -62.2 -32.73 73.41 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.349 0.977 . . . . 0.0 112.473 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -25.58 60.51 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.584 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.91 -49.02 61.7 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 119.523 1.056 . . . . 0.0 109.137 168.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.91 -37.25 76.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.15 0.886 . . . . 0.0 113.142 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.49 -58.35 7.91 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.341 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.4 39.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.924 0.765 . . . . 0.0 112.001 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.575 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.9 m-30 -54.79 -52.07 63.78 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 129.924 3.29 . . . . 0.0 113.195 173.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.22 -29.16 72.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 119.865 -1.772 . . . . 0.0 112.021 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 22.7 mt -71.03 -71.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.519 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.5 m -41.86 -54.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 118.869 -1.133 . . . . 0.0 113.137 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.539 HG12 HD12 ' A' ' 481' ' ' ILE . 42.5 mt -38.05 -48.86 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 CA-C-N 119.069 0.85 . . . . 0.0 113.219 170.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -58.32 -55.47 34.6 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.283 0.989 . . . . 0.0 109.444 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -57.35 -29.16 63.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -31.13 58.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.199 0.6 . . . . 0.0 112.511 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.73 -23.0 29.48 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -81.03 -22.54 39.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 118.904 -0.569 . . . . 0.0 111.62 171.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 73.74 26.04 1.91 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.917 1.386 . . . . 0.0 112.53 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 mp -76.52 -5.96 49.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.465 172.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 9.5 mm -55.58 143.76 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.877 0.846 . . . . 0.0 110.528 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 521' ' ' SER . 9.1 m-20 -69.13 7.18 0.78 Allowed 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.277 18.3 mmt85 51.02 -0.39 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 119.123 3.008 . . . . 0.0 119.123 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 521' ' ' SER . . . . . 0.436 ' H ' ' C ' ' A' ' 519' ' ' ASP . 44.0 m -98.97 -11.62 21.39 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.905 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.28 62.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.253 1.289 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.453 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.5 p -65.99 16.42 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 131.304 3.842 . . . . 0.0 114.753 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.18 127.59 41.93 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.742 2.017 . . . . 0.0 109.696 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -65.25 -32.91 50.64 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 121.799 1.666 . . . . 0.0 113.567 -169.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -71.95 -40.28 68.79 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.153 0.283 . . . . 0.0 110.681 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -48.82 68.09 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 169.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 58.2 mt -58.04 -45.67 86.59 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -70.76 -20.97 62.57 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.494 -1.379 . . . . 0.0 114.654 172.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -120.84 81.97 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.677 0.672 . . . . 0.0 111.855 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.8 mm -47.28 -41.18 30.5 Favored Pre-proline 0 N--CA 1.486 1.367 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -174.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.0 -42.34 59.05 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.246 1.964 . . . . 0.0 114.306 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.4 ttp -82.53 -26.57 32.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.377 0.535 . . . . 0.0 111.593 -176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -58.52 -46.83 85.95 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.321 0.581 . . . . 0.0 110.637 166.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.49 -27.09 60.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.772 1.629 . . . . 0.0 114.002 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -53.53 -47.11 70.27 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 168.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 25.0 m -62.02 -5.08 1.93 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 48.5 mt -117.99 -3.04 11.17 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.089 1.756 . . . . 0.0 114.171 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 59.85 21.03 9.93 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 59.4 mt -104.22 8.64 36.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.063 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -63.24 18.35 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -81.61 -25.04 36.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 168.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.34 14.08 22.75 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.95 1.406 . . . . 0.0 111.058 -172.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 18.5 p -56.6 -38.8 72.54 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -74.35 -30.0 61.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 119.065 0.848 . . . . 0.0 113.208 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.02 -19.08 61.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.258 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.1 mt -111.87 -20.23 12.11 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.08 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.0 t -61.83 -19.52 62.65 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.51 -3.61 48.72 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 114.775 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 51.9 m -125.96 129.57 24.24 Favored Pre-proline 0 N--CA 1.476 0.843 0 CA-C-N 117.5 0.65 . . . . 0.0 109.502 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.78 158.03 54.01 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 111.222 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.411 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.47 -54.86 40.51 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.476 -172.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.53 -26.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 172.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -117.17 -31.8 5.21 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.218 0.463 . . . . 0.0 111.929 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.6 tp -45.51 -57.23 4.28 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.495 0.664 . . . . 0.0 110.822 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.569 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.31 41.3 pt -42.26 -33.98 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 175.287 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -84.64 7.59 19.77 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.59 171.01 0.34 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.499 1.142 . . . . 0.0 113.348 171.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -131.53 166.26 21.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.167 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.88 -42.32 84.37 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.47 -45.33 76.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.7 m -62.02 -38.55 89.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.661 -0.649 . . . . 0.0 111.215 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.94 -48.19 82.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.932 0.333 . . . . 0.0 110.913 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.54 -42.27 74.37 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.88 -0.512 . . . . 0.0 112.084 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -78.0 -14.89 59.36 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.093 -1.004 . . . . 0.0 113.684 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -92.74 -12.79 30.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.49 10.52 8.58 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.288 0.475 . . . . 0.0 114.288 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 8.2 t -107.13 62.64 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.24 -28.61 70.15 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -166.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -75.63 145.42 41.09 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.9 0.857 . . . . 0.0 113.098 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.94 -42.46 89.98 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.448 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.91 -63.49 4.9 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.499 -0.612 . . . . 0.0 111.729 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.48 -66.9 0.12 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -55.9 -44.12 77.93 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -173.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.84 -35.51 76.72 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.762 1.619 . . . . 0.0 112.704 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -68.32 -31.45 70.87 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.888 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.3 -49.19 74.98 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.923 0.783 . . . . 0.0 110.436 169.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.43 -36.71 74.05 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -61.48 -61.04 2.81 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.28 170.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.97 -48.89 42.84 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 122.111 0.958 . . . . 0.0 112.236 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.569 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.9 m-30 -54.81 -46.06 74.47 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 129.005 2.922 . . . . 0.0 113.409 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.23 77.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 119.824 -1.798 . . . . 0.0 111.847 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.16 -70.17 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.544 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.77 -56.26 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 C-N-CA 118.772 -1.171 . . . . 0.0 113.914 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.55 HG12 HD12 ' A' ' 481' ' ' ILE . 37.9 mt -38.87 -44.33 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 CA-C-N 119.459 1.027 . . . . 0.0 113.33 170.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.23 -53.01 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.002 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.13 -28.97 69.49 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -70.12 -40.11 75.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.492 0.587 . . . . 0.0 111.5 174.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.76 -13.57 61.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.714 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -98.08 -25.63 14.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.762 173.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 18.9 t70 75.2 25.68 1.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.599 1.187 . . . . 0.0 113.38 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.3 mp -81.83 -7.62 59.62 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.79 156.27 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 122.166 0.984 . . . . 0.0 110.722 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -84.3 143.96 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.379 1.085 . . . . 0.0 110.719 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -62.06 -17.83 58.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.508 -1.223 . . . . 0.0 113.966 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -77.19 -13.75 59.89 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.2 71.6 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.148 0.886 . . . . 0.0 111.878 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.252 1.199 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.178 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 81.3 p -66.19 32.38 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.929 2.892 . . . . 0.0 114.244 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -112.9 128.28 25.8 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 127.044 2.137 . . . . 0.0 109.86 -173.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.77 -25.17 24.23 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.8 1.667 . . . . 0.0 113.174 -169.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -74.12 -41.2 61.98 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.29 -50.24 54.95 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.458 0.473 . . . . 0.0 110.478 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.05 -44.15 82.7 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.278 0.49 . . . . 0.0 112.142 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -68.5 -26.59 65.54 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -119.52 83.59 2.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.415 0.626 . . . . 0.0 111.74 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 23.8 mm -48.06 -41.52 42.52 Favored Pre-proline 0 N--CA 1.488 1.456 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.61 -38.3 90.77 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.483 2.122 . . . . 0.0 114.519 172.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 28.0 ttp -80.34 -31.68 37.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.478 0.311 . . . . 0.0 111.805 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.243 0.544 . . . . 0.0 111.32 168.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.17 -23.5 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.186 1.394 . . . . 0.0 113.492 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -51.44 -49.82 60.94 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 169.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -63.78 -14.81 55.93 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.85 -3.3 32.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.35 1.46 . . . . 0.0 113.179 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 63.51 19.43 11.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.87 16.68 18.34 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.88 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -63.75 19.78 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -80.7 -35.57 33.39 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 166.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -95.21 12.19 29.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.563 -172.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 24.2 p -54.75 -37.36 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.14 -24.92 43.0 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.03 0.832 . . . . 0.0 112.377 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.41 -21.23 56.26 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 73.7 mt -108.35 -14.96 14.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.034 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 19.4 t -64.47 -16.23 62.11 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -73.39 2.66 36.43 Favored Glycine 0 CA--C 1.541 1.664 0 N-CA-C 114.892 0.717 . . . . 0.0 114.892 170.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 49.7 m -136.87 115.18 10.25 Favored Pre-proline 0 N--CA 1.473 0.704 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -62.57 155.01 61.03 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.127 1.884 . . . . 0.0 110.718 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -55.38 -50.38 69.87 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.051 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.3 tp -35.38 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -117.22 -28.97 6.03 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.827 0.705 . . . . 0.0 111.743 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.43 -57.14 8.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.67 0.748 . . . . 0.0 109.764 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.579 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 33.2 pt -42.24 -34.93 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 172.338 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.434 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.2 m-30 -78.83 1.92 21.72 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.111 -1.618 . . . . 0.0 114.993 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.94 169.84 1.78 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 122.686 1.231 . . . . 0.0 113.314 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.03 172.22 13.08 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.029 175.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.91 -39.49 85.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.61 -44.63 64.08 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 96.8 m -62.28 -38.91 91.16 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.979 -1.076 . . . . 0.0 110.344 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.3 mt -56.65 -54.09 50.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.34 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.08 -28.36 70.03 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 121.832 2.106 . . . . 0.0 114.302 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.38 -14.55 58.24 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.985 -1.072 . . . . 0.0 113.531 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -92.65 -10.98 35.37 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.63 11.82 10.06 Favored Glycine 0 N--CA 1.477 1.388 0 CA-C-O 119.922 -0.377 . . . . 0.0 113.946 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.51 64.6 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 122.659 1.219 . . . . 0.0 108.294 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -35.94 81.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.534 -1.212 . . . . 0.0 114.255 -168.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.98 145.1 54.84 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.135 0.969 . . . . 0.0 112.031 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.54 -43.06 99.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.002 169.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.8 -64.63 4.03 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.29 -69.86 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 167.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -55.52 -45.66 77.09 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -59.83 -37.47 79.29 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.236 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.73 -29.86 67.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.082 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.99 -48.5 71.0 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.279 0.945 . . . . 0.0 110.16 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 67.5 mt -58.11 -38.19 75.99 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.27 0.941 . . . . 0.0 112.882 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -61.85 -59.11 5.63 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.033 170.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.57 -51.05 29.67 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 124.158 0.911 . . . . 0.0 112.674 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.579 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 18.0 m-30 -54.58 -47.56 73.14 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 129.444 3.098 . . . . 0.0 113.682 173.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -29.89 76.54 Favored Glycine 0 CA--C 1.526 0.753 0 O-C-N 119.985 -1.697 . . . . 0.0 111.816 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.2 mt -69.99 -70.92 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -42.44 -55.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.419 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.546 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.9 mt -39.42 -45.26 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-N 119.946 1.248 . . . . 0.0 113.039 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.33 -52.7 64.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.936 -176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.64 -31.75 70.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -66.51 -42.09 87.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.561 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.68 -10.04 59.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -102.19 -22.47 14.18 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.643 -0.694 . . . . 0.0 112.415 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.9 t0 77.42 23.16 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.708 1.255 . . . . 0.0 112.9 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.3 mp -77.07 -6.43 52.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.41 139.54 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.696 0.76 . . . . 0.0 110.496 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -73.0 145.98 46.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.68 1.228 . . . . 0.0 109.898 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -64.16 -10.86 25.49 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.855 -1.52 . . . . 0.0 113.613 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 31.9 m -89.42 -12.92 38.87 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.48 72.63 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.582 1.083 . . . . 0.0 111.808 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.252 1.213 0 CA-C-N 115.008 -0.996 . . . . 0.0 113.185 -179.008 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 50.3 mt . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 52.0 p -68.43 17.03 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 130.151 3.38 . . . . 0.0 115.522 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -98.61 131.69 25.41 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 126.582 1.953 . . . . 0.0 110.188 -170.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.57 -26.17 28.72 Favored 'Trans proline' 0 C--N 1.347 0.471 0 CA-C-N 121.455 1.555 . . . . 0.0 113.075 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.03 -41.38 61.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.7 mp -69.19 -51.71 35.22 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.5 0.5 . . . . 0.0 110.773 171.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.16 -43.75 74.53 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -67.34 -36.05 80.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 172.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -108.19 85.82 2.18 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 37.2 mm -47.92 -43.35 53.58 Favored Pre-proline 0 N--CA 1.488 1.429 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.63 -43.11 52.8 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.41 2.073 . . . . 0.0 113.933 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.3 ttp -80.66 -27.99 36.96 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.381 0.537 . . . . 0.0 111.704 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -57.86 -48.83 78.65 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.733 -0.604 . . . . 0.0 110.381 166.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.26 -28.33 63.07 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.036 1.334 . . . . 0.0 113.771 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -52.81 -42.88 65.51 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.6 t -57.62 -25.03 59.52 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 88.4 mt -95.72 -6.49 39.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.422 1.489 . . . . 0.0 113.961 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.256 87.8 mmt-85 60.26 21.17 10.59 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -169.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.9 mt -102.76 13.14 35.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.137 174.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -58.13 8.08 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -74.09 -34.91 64.13 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.903 0.859 . . . . 0.0 109.087 167.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -95.24 13.21 26.27 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.153 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.2 p -58.99 -31.53 68.87 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -80.83 -27.11 36.61 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.303 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.0 68.18 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.599 0.714 . . . . 0.0 110.225 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 71.2 mt -95.75 -12.0 26.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.27 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 27.1 t -66.31 166.62 11.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.588 0.709 . . . . 0.0 111.018 167.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 73.85 2.19 60.73 Favored Glycine 0 CA--C 1.539 1.582 0 O-C-N 121.293 -0.879 . . . . 0.0 113.897 -169.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 34.1 m -130.69 120.98 18.89 Favored Pre-proline 0 N--CA 1.475 0.792 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.56 159.88 51.33 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.615 2.21 . . . . 0.0 110.865 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.4 p-90 -61.68 -54.91 36.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.329 -172.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 2.8 tp -33.88 -25.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -30.85 6.03 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 483' ' ' LEU . 9.8 tp -49.28 -54.66 15.8 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 121.42 0.628 . . . . 0.0 110.111 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.55 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.317 39.2 pt -43.3 -35.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 173.753 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.51 10.25 11.41 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 483' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 480' ' ' LEU . 0.8 OUTLIER -59.3 170.73 0.89 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.318 1.056 . . . . 0.0 112.605 170.481 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -131.67 167.47 19.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.709 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -58.56 -41.9 86.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.86 -41.33 71.55 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 30.2 m -61.13 -42.5 98.65 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.056 -1.027 . . . . 0.0 110.625 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.76 -54.93 38.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.711 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.2 -31.11 71.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.592 1.997 . . . . 0.0 114.235 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -77.67 -19.69 54.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -85.59 -18.31 33.68 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 124.8 10.89 4.63 Favored Glycine 0 N--CA 1.472 1.1 0 N-CA-C 114.33 0.492 . . . . 0.0 114.33 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.22 67.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 122.415 1.103 . . . . 0.0 109.052 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -30.51 63.85 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -169.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.05 137.83 49.31 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.323 0.965 . . . . 0.0 111.887 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.93 -42.75 98.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.689 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.47 -67.14 2.37 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.54 -66.04 0.16 Allowed 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.903 1.002 . . . . 0.0 113.306 166.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -47.05 -56.81 5.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -60.71 -35.67 76.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.234 0.925 . . . . 0.0 112.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -69.73 -29.65 67.09 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 118.167 -0.92 . . . . 0.0 112.223 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.81 -49.13 74.07 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 119.509 1.05 . . . . 0.0 109.735 168.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.5 mt -58.63 -38.22 77.59 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.084 0.856 . . . . 0.0 113.02 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -60.93 -59.54 5.22 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.844 169.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.68 -51.23 29.56 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.019 0.824 . . . . 0.0 112.412 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.55 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.3 m-30 -53.17 -48.66 67.81 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 129.693 3.197 . . . . 0.0 113.338 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.15 -30.62 78.3 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 119.986 -1.696 . . . . 0.0 111.913 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 14.9 mt -69.28 -71.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.525 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.3 m -42.08 -55.94 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 119.063 -1.055 . . . . 0.0 113.639 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.547 HG12 HD12 ' A' ' 481' ' ' ILE . 42.0 mt -38.97 -46.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 CA-C-N 119.763 1.165 . . . . 0.0 113.312 170.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.55 -54.97 40.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.5 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -58.75 -27.5 65.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.48 -43.49 69.65 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.549 0.69 . . . . 0.0 110.947 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.92 -13.15 61.57 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.938 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -99.12 -22.84 15.48 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.854 -0.593 . . . . 0.0 112.387 171.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.5 t0 68.71 30.82 4.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.06 -8.22 59.72 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 173.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.01 155.64 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 122.248 1.023 . . . . 0.0 109.592 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -81.06 128.43 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.616 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -61.13 -11.05 7.47 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 38.9 m -70.89 -14.85 62.54 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.31 -25.63 66.12 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--O 1.253 1.255 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.74 -169.879 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 120.588 0.232 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 48.0 p -66.02 17.04 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 130.163 3.385 . . . . 0.0 114.148 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.8 125.54 52.93 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 126.685 1.994 . . . . 0.0 110.02 -169.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 17.9 Cg_endo -61.21 -31.64 89.96 Favored 'Trans proline' 0 CA--C 1.516 -0.388 0 C-N-CA 122.403 2.069 . . . . 0.0 114.679 -171.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -81.37 -29.78 33.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.342 -173.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -47.17 26.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.451 0.3 . . . . 0.0 110.518 167.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.81 -41.12 77.23 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.812 -0.555 . . . . 0.0 111.841 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.64 -49.67 67.8 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.098 -1.001 . . . . 0.0 112.712 169.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -100.78 84.67 2.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.269 0.557 . . . . 0.0 111.498 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.8 mm -47.59 -42.48 43.93 Favored Pre-proline 0 N--CA 1.483 1.22 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 469' ' ' SER . 76.2 Cg_exo -49.78 -39.81 47.98 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.287 2.658 . . . . 0.0 115.612 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 23.6 ttp -83.16 -25.97 31.35 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -62.2 -48.32 80.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 169.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -28.22 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -53.51 -41.29 66.16 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 55.8 m -69.76 -4.18 18.74 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.26 -7.85 12.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.989 1.715 . . . . 0.0 114.48 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 64.67 19.87 11.96 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 84.8 mt -111.93 18.6 18.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.558 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -66.78 20.84 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -93.1 -29.78 15.6 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -106.28 3.7 27.94 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.492 -175.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 457' ' ' PRO . 44.1 p -56.86 -27.18 60.0 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.95 -32.07 45.31 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.14 0.495 . . . . 0.0 111.989 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -71.19 -17.51 62.52 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.312 173.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.1 mt -106.98 -15.8 14.61 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.025 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.0 t -64.22 -22.57 66.99 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -67.81 0.69 9.6 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.5 m -133.97 128.02 19.48 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 117.896 0.848 . . . . 0.0 108.978 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.99 160.75 48.37 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.14 1.893 . . . . 0.0 111.127 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.405 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -60.86 -55.27 35.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.894 -170.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.0 tp -35.11 -27.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -110.94 -33.41 6.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.883 0.473 . . . . 0.0 112.253 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.5 tp -49.58 -56.64 9.23 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.201 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.56 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.313 38.2 pt -41.96 -37.38 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 172.503 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.437 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.4 m-30 -76.7 -1.16 26.47 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.56 170.07 1.15 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.292 1.044 . . . . 0.0 113.407 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -129.4 167.94 17.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.765 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.93 -39.64 90.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.17 -48.05 80.05 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 122.418 -0.176 . . . . 0.0 111.016 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 9.1 m -62.11 -36.01 80.47 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.19 74.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.331 0.969 . . . . 0.0 110.9 171.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -55.47 -38.42 69.06 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 174.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.76 -10.29 58.22 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -98.09 -10.51 24.14 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.79 12.44 9.39 Favored Glycine 0 N--CA 1.477 1.376 0 O-C-N 123.264 0.352 . . . . 0.0 113.744 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.36 61.38 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -31.96 73.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.276 -1.329 . . . . 0.0 114.544 -167.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.04 145.89 47.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.313 0.577 . . . . 0.0 112.48 -175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.2 tp -61.76 -45.8 92.36 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.272 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.08 -65.81 3.26 Favored Glycine 0 C--N 1.338 0.69 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.77 -68.0 0.12 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -59.12 -44.9 92.03 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -60.45 -34.96 74.75 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.232 0.924 . . . . 0.0 112.826 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -70.47 -30.53 67.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.784 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.07 -49.35 74.86 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.113 0.87 . . . . 0.0 110.204 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.67 -37.3 75.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.022 0.828 . . . . 0.0 113.171 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -62.11 -58.73 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.387 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.01 -48.48 43.6 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 124.268 0.98 . . . . 0.0 112.28 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.56 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.3 m-30 -57.34 -47.51 81.38 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 129.813 3.245 . . . . 0.0 113.857 174.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.31 74.8 Favored Glycine 0 CA--C 1.526 0.741 0 O-C-N 119.751 -1.843 . . . . 0.0 111.632 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.4 mt -69.79 -71.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.541 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.6 m -41.47 -56.57 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.813 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.541 ' H ' HG23 ' A' ' 509' ' ' VAL . 37.2 mt -39.57 -46.24 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 120.033 1.288 . . . . 0.0 113.044 170.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.75 -54.46 46.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.5 -27.68 66.36 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 478' ' ' ILE . 56.6 tttm -70.27 -43.89 69.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.469 0.652 . . . . 0.0 110.853 173.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.58 -12.0 61.29 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.301 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -103.45 -21.39 13.8 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.634 173.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.78 24.7 2.09 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.389 1.055 . . . . 0.0 113.599 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.94 -12.47 60.03 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.4 152.83 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.441 1.115 . . . . 0.0 110.344 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.31 142.63 39.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.239 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.46 -19.19 61.73 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.277 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 73.5 m -81.37 -12.08 59.1 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -68.96 -34.51 75.46 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.182 0.901 . . . . 0.0 111.754 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.253 1.285 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.67 -176.243 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 38.7 mt . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 448' ' ' THR . . . . . 0.471 HG21 ' CG ' ' A' ' 512' ' ' TYR . 70.6 p -70.89 16.86 0.08 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 131.202 3.801 . . . . 0.0 114.08 172.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -93.25 128.34 43.22 Favored Pre-proline 0 CA--C 1.536 0.419 0 C-N-CA 127.244 2.218 . . . . 0.0 109.591 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.99 -24.95 23.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 121.663 1.575 . . . . 0.0 113.334 -169.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -73.52 -39.53 64.72 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -50.55 22.48 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.074 171.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.28 -38.57 74.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -64.5 -54.07 38.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.163 -0.961 . . . . 0.0 111.868 168.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -95.8 83.66 3.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.223 0.535 . . . . 0.0 112.003 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.4 mm -47.71 -41.8 40.4 Favored Pre-proline 0 N--CA 1.487 1.392 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -174.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.89 -42.97 55.02 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.531 2.154 . . . . 0.0 114.026 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.5 ttp -79.96 -26.07 40.17 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.684 -0.635 . . . . 0.0 111.955 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.63 -47.98 83.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.309 0.576 . . . . 0.0 110.584 166.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.03 -28.01 62.09 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.264 1.426 . . . . 0.0 113.897 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -52.8 -46.45 67.67 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 48.7 m -61.34 -21.27 63.86 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.1 mt -92.68 -8.6 43.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.242 1.417 . . . . 0.0 113.24 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.262 88.4 mmt-85 62.71 18.12 10.35 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 80.2 mt -101.25 15.08 29.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.265 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -62.28 16.79 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -77.31 -24.66 50.84 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.463 1.125 . . . . 0.0 109.761 168.799 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.85 11.68 27.89 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.089 -1.869 . . . . 0.0 112.989 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.5 m -52.29 -40.69 62.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.38 -26.49 41.98 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.91 58.54 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.158 0.504 . . . . 0.0 111.325 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.37 -14.5 14.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.217 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 46.6 t -62.64 -20.91 65.27 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.11 2.13 20.91 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.0 m -136.11 116.87 11.43 Favored Pre-proline 0 N--CA 1.474 0.731 0 CA-C-N 118.037 0.919 . . . . 0.0 108.786 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -61.83 153.66 66.43 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.059 1.84 . . . . 0.0 110.67 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -54.33 -50.27 67.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.081 -173.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.6 tp -35.67 -27.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -117.05 -29.75 5.87 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.694 0.621 . . . . 0.0 111.335 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.44 -56.99 7.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.805 0.691 . . . . 0.0 110.214 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.58 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.319 38.4 pt -42.94 -33.69 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 173.373 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -83.62 6.48 20.63 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.84 168.96 2.77 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 122.324 1.059 . . . . 0.0 112.604 172.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -132.87 169.35 16.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.22 -51.73 61.21 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.283 1.039 . . . . 0.0 112.585 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.87 -43.72 92.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.04 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.8 m -64.42 -38.67 91.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.46 -48.17 82.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.428 0.558 . . . . 0.0 110.855 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.03 -41.37 71.26 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.995 -0.441 . . . . 0.0 111.991 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.7 -15.62 58.25 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -91.21 -10.37 41.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 113.18 13.15 11.11 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.631 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.4 t -104.4 65.47 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -29.35 64.17 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -167.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.51 139.86 51.7 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.938 0.79 . . . . 0.0 111.782 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.94 -48.33 81.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.368 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.25 -65.36 3.6 Favored Glycine 0 C--N 1.339 0.745 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.91 -70.1 0.08 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -47.02 -52.81 13.95 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -57.08 -39.6 75.31 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.812 0.733 . . . . 0.0 111.847 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -73.44 -24.54 60.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 117.849 -1.072 . . . . 0.0 113.124 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.14 -48.32 76.5 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.749 1.159 . . . . 0.0 108.843 168.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.4 mt -57.37 -38.75 74.71 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -61.38 -60.67 3.37 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.034 170.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.06 -47.36 44.97 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.098 0.874 . . . . 0.0 112.812 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.58 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -57.96 -49.43 76.82 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 129.333 3.053 . . . . 0.0 113.604 174.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.02 -29.34 74.6 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 120.247 -1.533 . . . . 0.0 111.436 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.88 -72.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.535 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.3 m -41.85 -56.27 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 117.802 -1.094 . . . . 0.0 113.923 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.558 HG12 HD12 ' A' ' 481' ' ' ILE . 49.5 mt -39.17 -45.82 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 119.926 1.239 . . . . 0.0 112.88 170.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.23 -50.29 74.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.983 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 512' ' ' TYR . . . . . 0.471 ' CG ' HG21 ' A' ' 448' ' ' THR . 7.0 m-85 -64.47 -30.23 71.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 171.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -68.33 -39.64 81.86 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.833 0.742 . . . . 0.0 110.634 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.57 -5.95 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.744 -1.117 . . . . 0.0 112.699 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.07 -24.22 10.02 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.616 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 15.9 t70 83.46 17.21 0.26 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 124.938 1.399 . . . . 0.0 112.632 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.5 mp -76.72 -5.23 47.16 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.634 -0.666 . . . . 0.0 112.546 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.1 mm -64.36 144.26 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 0.0 110.015 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.22 145.03 44.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 122.754 1.264 . . . . 0.0 109.892 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -66.84 -11.19 54.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.274 -1.33 . . . . 0.0 114.396 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.6 m -86.18 -14.2 44.72 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.51 88.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.712 0.687 . . . . 0.0 111.463 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.172 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.476 0.86 0 CA-C-O 120.755 0.312 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.0 p -69.95 14.39 0.11 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 130.909 3.683 . . . . 0.0 114.464 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -90.94 129.19 45.04 Favored Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 126.276 1.83 . . . . 0.0 109.727 -169.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' PRO . . . . . 0.449 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 55.5 Cg_endo -69.11 -25.53 31.52 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 121.732 1.621 . . . . 0.0 113.284 -169.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -75.0 -43.48 53.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.782 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.9 mp -67.99 -47.93 67.16 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.379 0.424 . . . . 0.0 110.715 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.11 -44.05 87.5 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.51 0.596 . . . . 0.0 111.676 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -66.93 -28.43 68.29 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.581 -1.325 . . . . 0.0 114.506 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -117.87 82.38 1.82 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 0.0 112.052 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 18.6 mm -48.4 -41.49 46.5 Favored Pre-proline 0 N--CA 1.488 1.44 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.85 -38.61 85.76 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.699 2.266 . . . . 0.0 114.284 172.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.6 ttp -81.94 -30.82 31.57 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.092 -0.38 . . . . 0.0 111.854 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -58.39 -51.57 69.26 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.218 0.532 . . . . 0.0 111.13 168.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.39 -24.12 64.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.889 1.676 . . . . 0.0 113.487 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -50.79 -45.01 59.03 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.0 m -67.17 -16.66 64.44 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 87.4 mt -94.52 -8.39 38.47 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.862 1.265 . . . . 0.0 113.458 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 62.37 20.45 11.85 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.2 mt -109.06 16.71 22.35 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.435 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -65.54 20.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -86.42 -29.1 23.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 168.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -92.77 10.76 29.48 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.671 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 67.0 m -49.63 -39.86 37.35 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.18 -24.75 47.05 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.281 0.946 . . . . 0.0 112.789 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.63 -19.32 57.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.1 0.476 . . . . 0.0 110.925 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' LEU . . . . . 0.476 HD23 ' HE3' ' A' ' 491' ' ' LYS . 73.6 mt -111.57 -18.41 12.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.987 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.7 t -67.6 -14.46 62.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 173.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -75.22 -1.48 64.18 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 114.949 0.74 . . . . 0.0 114.949 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.6 m -131.48 131.66 23.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 117.979 0.89 . . . . 0.0 109.241 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.11 157.78 56.71 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.129 1.886 . . . . 0.0 111.338 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.424 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.9 p-90 -60.55 -55.08 37.64 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.622 -172.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -34.18 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 172.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -117.08 -30.05 5.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.83 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.413 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.4 tp -46.43 -56.74 5.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 121.59 0.71 . . . . 0.0 110.557 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.553 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 42.2 pt -42.61 -34.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 175.142 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -85.08 4.34 34.6 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.5 mm? -58.95 168.25 1.35 Allowed 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 122.109 0.957 . . . . 0.0 112.469 171.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -127.71 165.5 19.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.865 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -52.48 -48.37 65.95 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.023 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.67 -44.39 90.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.021 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 10.4 m -63.74 -39.14 93.55 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.715 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -49.41 77.07 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 117.916 0.326 . . . . 0.0 111.252 173.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -42.27 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.286 0.494 . . . . 0.0 111.313 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.99 -9.94 59.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 491' ' ' LYS . . . . . 0.476 ' HE3' HD23 ' A' ' 472' ' ' LEU . 17.3 ttpt -95.74 -6.57 39.46 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 110.02 16.29 10.77 Favored Glycine 0 N--CA 1.473 1.161 0 O-C-N 123.094 0.246 . . . . 0.0 113.33 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 9.5 t -112.76 60.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.414 HD22 ' H ' ' A' ' 494' ' ' LEU . 0.8 OUTLIER -63.88 -31.85 73.17 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.99 -1.459 . . . . 0.0 114.206 -167.097 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.08 140.33 47.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.27 -47.64 82.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.183 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.77 -65.43 3.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.03 -66.87 0.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 169.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -63.11 -36.36 83.34 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.24 -40.04 92.56 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.65 1.114 . . . . 0.0 111.563 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -67.34 -28.69 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.86 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.13 -46.5 80.69 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.408 169.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.4 mt -57.28 -37.17 71.98 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.541 1.064 . . . . 0.0 113.28 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.2 -59.24 5.33 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.659 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.92 -47.96 51.98 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.603 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.553 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.21 -45.68 83.6 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 129.335 3.054 . . . . 0.0 113.139 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.14 -29.68 75.42 Favored Glycine 0 CA--C 1.526 0.757 0 O-C-N 119.876 -1.765 . . . . 0.0 111.825 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.78 -69.83 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.572 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.9 m -41.52 -56.82 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 C-N-CA 119.004 -1.078 . . . . 0.0 113.708 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.572 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.9 mt -39.28 -45.27 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 CA-C-N 119.684 1.129 . . . . 0.0 113.322 170.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.34 -51.06 71.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.909 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -62.66 -31.34 72.2 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 171.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -69.85 -37.97 76.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.909 0.777 . . . . 0.0 111.189 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -69.97 -11.13 60.64 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.159 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -102.34 -22.36 14.13 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.114 173.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 20.1 t70 78.83 20.74 0.76 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 124.843 1.339 . . . . 0.0 113.178 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.7 mp -78.2 -3.92 45.07 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.3 mm -64.25 142.47 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.513 0.673 . . . . 0.0 110.466 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.6 145.9 40.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.498 1.142 . . . . 0.0 109.757 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -64.19 -15.92 60.9 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.474 -1.239 . . . . 0.0 114.208 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -78.38 -15.78 58.33 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -69.03 -27.57 65.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.419 1.009 . . . . 0.0 112.545 175.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.695 -174.54 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 120.875 0.369 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.2 p -67.73 20.37 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.959 3.304 . . . . 0.0 114.849 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -108.96 128.59 25.19 Favored Pre-proline 0 N--CA 1.47 0.535 0 C-N-CA 125.718 1.607 . . . . 0.0 110.083 -168.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' PRO . . . . . 0.506 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 57.8 Cg_endo -70.59 -24.65 25.62 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.926 1.75 . . . . 0.0 113.376 -168.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.61 -39.07 62.39 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.728 0.411 . . . . 0.0 110.249 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.83 -48.46 58.9 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 170.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.99 -35.69 71.56 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -63.12 -53.81 47.64 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.93 -1.106 . . . . 0.0 111.799 168.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -96.82 85.11 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 27.1 mm -48.1 -41.63 43.77 Favored Pre-proline 0 N--CA 1.49 1.555 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.06 -34.9 98.58 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.257 2.638 . . . . 0.0 114.777 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.2 ttp -80.4 -31.9 37.62 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.725 -0.609 . . . . 0.0 111.48 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.57 -52.65 64.54 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.036 0.446 . . . . 0.0 111.597 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.0 -20.62 65.03 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.476 1.51 . . . . 0.0 113.934 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -50.73 34.89 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 4.9 t -60.78 4.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.0 mt -129.19 -15.05 4.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.256 2.222 . . . . 0.0 112.04 -174.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.33 1.3 mpp_? 62.99 23.98 14.31 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.084 1.421 . . . . 0.0 114.265 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.48 10.84 38.66 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.718 -2.492 . . . . 0.0 109.242 167.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -64.32 13.58 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -82.03 -34.35 29.56 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 166.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -90.97 13.15 17.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.787 -173.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 54.8 m -47.97 -39.28 18.95 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.343 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -77.11 -25.32 52.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.23 1.377 . . . . 0.0 112.997 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.93 58.44 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.619 0.724 . . . . 0.0 110.375 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.93 -20.98 12.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.388 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 9.8 m -71.92 -12.69 61.38 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.47 1.83 18.64 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 119.446 -0.641 . . . . 0.0 114.431 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 15.2 m -137.66 134.67 18.44 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -72.07 158.16 52.85 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.859 1.706 . . . . 0.0 111.248 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.444 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.7 p-90 -60.2 -55.42 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.04 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.444 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -35.13 -26.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -116.38 -31.76 5.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.867 -0.587 . . . . 0.0 111.63 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.408 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 10.7 tp -44.87 -59.65 2.44 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-O 121.564 0.697 . . . . 0.0 110.508 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.563 HD12 HG12 ' A' ' 510' ' ' ILE 0.318 39.3 pt -43.69 -32.29 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 175.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -86.34 4.69 38.12 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 171.14 0.76 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.954 0.883 . . . . 0.0 113.108 172.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.63 166.48 17.99 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.147 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.0 -49.79 62.62 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.395 1.093 . . . . 0.0 113.814 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.75 -40.04 84.16 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.002 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 6.7 m -62.64 -39.44 93.85 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.292 -0.88 . . . . 0.0 111.162 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.4 mp -56.21 -53.88 51.93 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.909 0.777 . . . . 0.0 111.44 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -61.19 -30.2 70.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 119.949 1.25 . . . . 0.0 113.969 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.59 -13.05 59.39 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -88.97 -12.07 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.55 13.8 7.87 Favored Glycine 0 N--CA 1.474 1.229 0 O-C-N 123.473 0.483 . . . . 0.0 113.733 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -109.33 62.69 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 122.776 1.274 . . . . 0.0 107.786 -174.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -37.23 85.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.763 -168.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -69.94 141.06 53.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.154 0.434 . . . . 0.0 111.327 -174.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.68 -42.41 92.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.815 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.92 -65.69 3.07 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.864 -0.409 . . . . 0.0 112.248 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.85 -57.52 0.45 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 168.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 499' ' ' ARG . . . . . 0.489 ' HA ' HD23 ' A' ' 488' ' ' LEU . 12.8 ttm180 -50.58 -59.92 3.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -55.9 -37.51 68.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.922 0.783 . . . . 0.0 112.89 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -65.14 -35.83 82.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.13 -50.71 67.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.731 0.696 . . . . 0.0 111.049 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.1 -35.26 74.83 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.148 0.885 . . . . 0.0 113.259 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -59.62 -61.09 2.88 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.412 169.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.49 41.13 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 10.9 m-30 -60.59 -42.45 96.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 129.754 3.222 . . . . 0.0 113.732 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.52 -30.59 73.14 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 119.48 -2.013 . . . . 0.0 112.088 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.82 -67.68 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.612 HG23 ' H ' ' A' ' 510' ' ' ILE . 7.5 m -41.75 -56.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.604 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.612 ' H ' HG23 ' A' ' 509' ' ' VAL . 38.4 mt -39.14 -45.38 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-N 119.985 1.266 . . . . 0.0 113.353 170.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.38 -54.04 51.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.561 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -61.15 -27.52 68.45 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -68.37 -43.41 77.41 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.727 0.775 . . . . 0.0 110.253 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.58 -8.77 56.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 113.831 -1.532 . . . . 0.0 112.234 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.68 -22.75 13.52 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.281 172.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 16.8 t70 85.74 16.38 0.13 Allowed 'General case' 0 N--CA 1.479 0.979 0 O-C-N 125.281 1.613 . . . . 0.0 113.005 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.93 -4.83 51.77 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 27.9 mm -54.57 -58.65 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.44 ' HB3' ' HG3' ' A' ' 450' ' ' PRO . 19.4 t70 107.18 149.81 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 127.842 3.214 . . . . 0.0 109.758 -170.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -70.08 -10.45 58.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 58.5 m -72.0 -25.44 61.83 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 522' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -74.13 -42.03 60.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.993 0.815 . . . . 0.0 112.49 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-N 113.894 -1.503 . . . . 0.0 113.795 179.738 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 121.066 0.46 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 77.5 p -68.72 24.92 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.773 3.629 . . . . 0.0 114.04 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.88 130.04 23.48 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 127.106 2.162 . . . . 0.0 109.425 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.28 -22.65 25.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 121.433 1.422 . . . . 0.0 113.238 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.74 -43.63 45.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.27 -51.06 65.4 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.41 -37.15 79.94 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -59.78 -53.58 56.25 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.64 -0.663 . . . . 0.0 112.674 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.79 95.66 5.69 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 122.387 1.089 . . . . 0.0 112.584 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.9 mm -45.87 -40.55 16.19 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-N 112.646 -2.07 . . . . 0.0 115.524 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.78 -38.74 78.17 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.0 1.8 . . . . 0.0 114.761 173.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 18.5 ttp -78.17 -32.26 50.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.196 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -56.76 -47.65 79.62 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 168.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.46 -28.28 69.56 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 173.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -52.36 -48.15 65.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 65.7 m -67.43 -8.49 33.61 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 72.7 mt -104.71 -6.59 20.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.364 1.465 . . . . 0.0 113.561 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 62.43 21.64 12.72 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -169.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 82.9 mt -113.78 19.93 16.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.34 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -66.88 23.47 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -95.71 -38.77 10.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 168.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -90.68 6.79 42.52 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.439 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 11.0 p -52.3 -33.49 42.48 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -80.05 -28.31 39.26 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.08 -18.44 63.99 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.226 172.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.37 -14.69 12.75 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.13 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.8 t -64.96 -20.4 66.46 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.96 -2.39 38.33 Favored Glycine 0 CA--C 1.541 1.69 0 N-CA-C 115.223 0.849 . . . . 0.0 115.223 172.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 48.8 m -132.28 130.56 21.99 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 117.839 0.819 . . . . 0.0 109.43 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.22 160.53 48.67 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.061 1.841 . . . . 0.0 111.243 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.7 p-90 -60.8 -55.09 37.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.785 -170.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.433 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -35.25 -28.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 172.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -111.32 -32.67 6.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 123.454 0.471 . . . . 0.0 112.267 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.9 tp -49.74 -56.16 11.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.89 0.744 . . . . 0.0 110.064 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.555 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.324 36.4 pt -42.37 -37.33 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.41 ' CD1' HG13 ' A' ' 481' ' ' ILE . 14.4 m-30 -79.05 2.08 21.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.81 169.19 1.48 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 122.316 1.055 . . . . 0.0 113.429 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -129.65 167.21 18.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -58.94 -40.86 85.93 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.52 -49.65 68.16 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 122.333 -0.229 . . . . 0.0 111.453 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 26.3 m -59.94 -36.56 77.33 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.789 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.5 mp -55.41 -53.21 59.11 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.317 170.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.2 -36.28 65.77 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -86.02 -9.94 55.9 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -96.34 -11.56 25.66 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.53 12.72 9.36 Favored Glycine 0 N--CA 1.474 1.228 0 CA-C-O 120.046 -0.308 . . . . 0.0 113.277 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 10.0 t -107.6 63.59 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 122.525 1.155 . . . . 0.0 108.161 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -39.85 82.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.99 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.61 140.14 55.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.119 0.485 . . . . 0.0 111.658 -175.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -61.68 -43.42 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.97 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.21 -65.75 3.25 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.59 -61.72 0.32 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.786 0.933 . . . . 0.0 113.188 167.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' ARG . . . . . 0.432 ' HA ' HD23 ' A' ' 488' ' ' LEU . 17.8 ttp-105 -50.58 -57.64 7.69 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 34.8 mtp-105 -54.79 -37.57 66.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.847 0.749 . . . . 0.0 112.613 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.37 -33.26 72.79 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.589 -0.719 . . . . 0.0 112.129 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.03 -49.91 70.55 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.974 0.807 . . . . 0.0 111.086 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.59 -36.55 76.48 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.859 0.838 . . . . 0.0 112.701 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.95 -60.34 3.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.303 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.84 -47.51 31.36 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.307 1.004 . . . . 0.0 112.382 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.555 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.5 m-30 -56.68 -48.68 77.09 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 128.976 2.91 . . . . 0.0 113.815 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.96 -30.15 76.92 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 120.041 -1.662 . . . . 0.0 111.711 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.95 -71.64 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.538 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.72 -55.36 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 119.118 -1.033 . . . . 0.0 113.645 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.538 ' H ' HG23 ' A' ' 509' ' ' VAL . 35.5 mt -39.13 -46.31 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 CA-C-N 119.457 1.026 . . . . 0.0 113.396 170.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -58.45 -56.12 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.944 0.777 . . . . 0.0 109.449 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.4 -26.41 63.22 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.407 ' HE2' HD11 ' A' ' 478' ' ' ILE . 59.5 tttm -69.95 -44.92 68.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.183 0.447 . . . . 0.0 110.567 174.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.08 -20.77 60.17 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -86.17 -23.09 26.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.656 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 72.42 25.06 2.82 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 124.488 1.117 . . . . 0.0 112.892 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.59 -11.91 59.91 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.8 mt -75.65 155.99 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.483 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.54 152.55 24.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 122.881 1.324 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.06 -14.73 62.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.083 -1.417 . . . . 0.0 114.404 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 21.0 m -83.23 -13.5 55.2 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.8 78.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.937 0.79 . . . . 0.0 111.251 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.255 1.356 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.047 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 448' ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' ' 512' ' ' TYR . 63.8 p -66.78 14.38 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.586 1 C-N-CA 132.75 4.42 . . . . 0.0 113.764 169.143 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.09 125.34 57.09 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 126.175 1.79 . . . . 0.0 108.937 -169.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.36 -28.08 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.678 1.585 . . . . 0.0 113.152 -168.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -70.89 -45.6 64.05 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -50.5 68.26 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.065 172.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.33 -36.98 74.21 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.58 -50.74 72.3 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.2 95.0 5.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 15.7 mm -47.52 -40.08 25.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.54 -43.2 46.32 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.951 1.767 . . . . 0.0 113.699 172.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.0 ttp -79.94 -29.93 39.82 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.529 0.604 . . . . 0.0 111.604 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -57.35 -48.58 78.64 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.498 -0.751 . . . . 0.0 111.17 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -72.08 -29.34 64.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.264 1.426 . . . . 0.0 113.323 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -53.34 -43.44 67.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 167.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 7.6 t -58.94 -18.0 29.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.83 -4.2 21.05 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.725 1.61 . . . . 0.0 113.353 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 61.75 15.88 7.38 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.6 mt -94.72 11.84 29.9 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -60.86 15.32 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 467' ' ' LYS . 22.2 ttpt -80.99 -38.52 27.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.589 1.185 . . . . 0.0 110.181 168.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -84.79 11.48 9.07 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.269 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 62.8 p -55.03 -40.96 70.76 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -77.32 -25.48 51.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.55 1.068 . . . . 0.0 112.449 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.83 -26.14 59.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 63.2 mt -106.64 -17.8 14.14 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.857 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 25.6 t -65.76 -15.85 63.24 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.67 -2.3 43.32 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 119.188 -0.784 . . . . 0.0 115.054 170.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -131.93 133.7 24.35 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.827 0.814 . . . . 0.0 109.477 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.0 159.4 50.32 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.717 1.611 . . . . 0.0 111.139 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.9 p-90 -61.44 -55.89 26.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.354 -172.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.47 -25.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -115.77 -29.47 6.4 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.88 -55.01 12.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.586 0.554 . . . . 0.0 109.91 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.568 HD12 HG12 ' A' ' 510' ' ' ILE 0.314 42.2 pt -43.0 -35.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 174.475 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -83.95 7.82 17.11 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.14 171.02 1.08 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.19 0.995 . . . . 0.0 112.564 171.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -133.19 168.55 18.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.195 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.64 -43.49 89.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.06 -44.11 80.96 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.954 -0.466 . . . . 0.0 111.948 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.0 m -62.68 -39.01 92.63 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 110.936 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.44 -46.8 88.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.337 0.517 . . . . 0.0 111.109 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.95 -41.14 70.73 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 118.195 0.452 . . . . 0.0 112.084 175.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.82 -15.98 46.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -86.37 -13.43 46.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.35 11.16 8.26 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 119.229 -0.761 . . . . 0.0 114.136 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.4 t -101.35 67.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.83 -25.66 59.16 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.03 140.27 52.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.837 1.199 . . . . 0.0 111.815 174.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.09 -45.63 93.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.615 170.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.05 -65.27 3.7 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -174.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.74 -67.43 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 166.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -46.02 -56.61 5.31 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.94 -33.32 71.74 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.714 0.688 . . . . 0.0 112.707 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -74.99 -28.45 60.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.923 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.08 -49.8 74.5 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.81 1.187 . . . . 0.0 108.976 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.11 -37.98 75.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.819 0.736 . . . . 0.0 112.946 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -60.83 -61.66 2.42 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.281 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.95 -51.66 22.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.189 0.931 . . . . 0.0 112.626 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.548 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.6 m-30 -52.72 -49.95 64.37 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 129.823 3.249 . . . . 0.0 112.979 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.92 -29.83 75.96 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.069 -1.644 . . . . 0.0 111.88 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.41 -71.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.501 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.7 m -41.45 -55.71 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 118.843 -1.143 . . . . 0.0 113.853 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.568 HG12 HD12 ' A' ' 481' ' ' ILE . 30.7 mt -38.73 -46.42 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 170.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -59.12 -55.57 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.239 0.962 . . . . 0.0 109.324 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 512' ' ' TYR . . . . . 0.464 ' CG ' HG21 ' A' ' 448' ' ' THR . 6.3 m-85 -57.38 -29.47 64.1 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 173.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -69.51 -42.2 75.04 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 118.059 0.391 . . . . 0.0 110.519 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.28 -17.06 58.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -87.27 -23.34 24.72 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.876 172.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.6 t70 87.87 16.47 0.08 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.244 2.215 . . . . 0.0 112.593 172.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.42 -6.6 53.98 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.22 137.9 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -75.56 9.11 2.39 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -171.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.269 50.0 mmt-85 49.22 11.21 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 118.695 2.85 . . . . 0.0 118.695 -168.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 49.3 m -109.82 -9.83 14.79 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.116 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -72.42 -28.27 62.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 . . . . . 0 C--O 1.254 1.315 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.882 -174.581 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.4 mt . . . . . 0 N--CA 1.472 0.651 0 CA-C-O 120.628 0.251 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 57.5 p -67.12 16.43 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 130.276 3.431 . . . . 0.0 115.08 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -98.91 132.4 23.76 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.329 1.851 . . . . 0.0 109.802 -169.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.02 -27.48 25.16 Favored 'Trans proline' 0 C--N 1.346 0.403 0 CA-C-N 121.236 1.477 . . . . 0.0 113.335 -168.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -72.24 -39.93 68.1 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.7 -46.71 52.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.871 172.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.401 HD22 ' CE3' ' A' ' 477' ' ' TRP . 51.2 mt -57.75 -42.8 84.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 118.368 0.531 . . . . 0.0 111.479 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -66.45 -29.59 69.76 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.335 -1.478 . . . . 0.0 114.511 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -122.32 86.63 2.61 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 122.314 1.054 . . . . 0.0 113.026 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.0 mm -50.05 -40.24 53.65 Favored Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.97 -44.98 34.79 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.89 2.394 . . . . 0.0 114.745 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 7.4 mtm -78.35 -30.66 48.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 121.392 -0.817 . . . . 0.0 111.395 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -56.75 -38.07 71.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.837 0.827 . . . . 0.0 110.969 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -82.9 -31.38 27.86 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.188 1.795 . . . . 0.0 114.274 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -49.78 -51.23 40.87 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 91.0 p -65.66 -16.34 63.64 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 68.1 mt -90.17 -9.26 48.85 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.653 1.581 . . . . 0.0 113.578 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 53.8 mmm-85 62.38 24.8 14.79 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.9 14.42 28.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.008 -0.996 . . . . 0.0 112.545 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -67.44 27.08 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.56 -41.27 60.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 164.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . 0.255 22.6 m-85 -86.77 -177.29 6.07 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 112.691 -2.049 . . . . 0.0 106.881 169.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 3.0 m 154.34 -66.86 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -68.52 -26.47 65.45 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.727 0.299 . . . . 0.0 111.662 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.93 -26.56 64.2 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 122.388 1.09 . . . . 0.0 112.139 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.8 mt -104.95 -16.94 14.69 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 113.822 -1.536 . . . . 0.0 110.339 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.6 p -65.67 -23.05 66.7 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.14 1.4 11.62 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.576 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 47.0 m -133.78 128.26 19.77 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.67 159.98 49.45 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.968 1.779 . . . . 0.0 110.663 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.425 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.1 p-90 -61.34 -56.48 19.96 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.847 -171.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.425 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.1 tp -33.36 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 170.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -115.17 -28.26 7.01 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.2 tp -49.49 -55.58 12.78 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 109.707 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.567 HG22 HG21 ' A' ' 509' ' ' VAL 0.328 36.9 pt -43.32 -37.06 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 173.597 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.4 ' CD1' HG13 ' A' ' 481' ' ' ILE . 12.3 m-30 -77.9 5.44 9.68 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 170.75 0.62 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.372 1.082 . . . . 0.0 113.678 174.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -134.28 171.21 14.57 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.561 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.02 -43.42 91.56 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.953 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.97 -46.88 76.47 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 28.0 m -62.77 -38.43 90.57 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.865 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.14 -45.52 94.32 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.81 0.732 . . . . 0.0 111.657 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -37.11 62.48 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 119.023 0.829 . . . . 0.0 111.862 171.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -82.53 -18.43 41.53 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -73.04 -24.68 60.74 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.757 0.423 . . . . 0.0 111.213 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.82 4.49 16.83 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.828 0.705 . . . . 0.0 113.614 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.5 68.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -33.75 68.04 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.2 -0.937 . . . . 0.0 112.789 -168.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.42 136.14 55.31 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.332 0.514 . . . . 0.0 111.855 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.582 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.38 -67.28 2.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.96 -67.1 0.14 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 166.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -45.08 -56.31 4.82 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.2 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -75.08 -26.67 59.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.575 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.71 -47.68 80.14 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.636 1.107 . . . . 0.0 109.302 167.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.38 -38.94 75.03 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.775 0.716 . . . . 0.0 112.846 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -62.49 -57.75 10.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.404 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.17 -52.1 28.59 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.027 0.829 . . . . 0.0 112.483 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.526 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.5 m-30 -51.31 -46.28 62.51 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.55 3.14 . . . . 0.0 113.449 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.52 78.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 120.151 -1.593 . . . . 0.0 112.121 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 9.7 mt -70.67 -69.97 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.567 HG21 HG22 ' A' ' 481' ' ' ILE . 3.7 m -41.81 -55.76 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.723 -1.191 . . . . 0.0 113.94 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.546 HG12 HD12 ' A' ' 481' ' ' ILE . 26.4 mt -38.44 -46.11 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 CA-C-N 119.5 1.046 . . . . 0.0 113.682 170.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.04 -56.08 26.81 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.863 0.727 . . . . 0.0 109.51 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -58.4 -25.91 62.65 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 478' ' ' ILE . 53.5 tttm -71.78 -43.15 66.19 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.482 0.583 . . . . 0.0 111.067 174.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -75.17 -20.05 59.53 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -84.49 -28.33 26.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.679 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . 0.263 29.2 t70 74.66 28.41 1.21 Allowed 'General case' 0 CA--C 1.552 1.019 0 O-C-N 124.698 1.249 . . . . 0.0 113.197 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.9 mp -83.22 -8.37 59.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 38.8 mt -74.9 158.53 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.104 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -84.58 140.54 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 122.399 1.095 . . . . 0.0 110.91 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -58.64 -16.5 16.41 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 114.152 -1.386 . . . . 0.0 114.726 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 20.1 m -75.78 -17.14 59.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.18 72.84 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.031 0.832 . . . . 0.0 112.099 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.909 -1.042 . . . . 0.0 113.244 -175.276 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 43.5 p -67.54 23.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 130.819 3.648 . . . . 0.0 114.888 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.81 130.51 23.67 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 127.165 2.186 . . . . 0.0 110.066 -170.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.81 -24.74 24.52 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.656 1.57 . . . . 0.0 113.286 -169.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -73.72 -45.74 50.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -53.25 55.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.018 172.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.9 mt -56.15 -42.4 76.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.04 -48.4 81.72 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.77 96.98 6.39 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 16.6 mm -45.86 -40.61 16.31 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.03 -44.71 36.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.148 1.899 . . . . 0.0 113.423 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.9 ttp -80.1 -30.12 39.13 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.293 0.497 . . . . 0.0 111.829 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -56.67 -48.02 78.53 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.683 -0.636 . . . . 0.0 111.05 166.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.09 -27.79 61.06 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.025 1.33 . . . . 0.0 113.64 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -54.19 -40.55 67.67 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.762 -0.587 . . . . 0.0 112.409 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 67.7 m -69.71 14.58 0.1 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 81.6 mt -138.66 -12.02 1.33 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.789 2.435 . . . . 0.0 112.689 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.265 1.4 mpt_? 62.04 24.93 14.91 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 123.273 1.511 . . . . 0.0 114.784 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 69.0 mt -104.98 14.77 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 111.878 -2.419 . . . . 0.0 109.046 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -63.96 7.32 0.13 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.08 -30.55 49.67 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -89.59 12.54 16.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.047 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 47.4 t -47.51 -54.06 12.65 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.47 -17.39 59.32 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.32 -17.17 59.56 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.877 174.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 74.4 mt -121.22 -14.99 8.26 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.221 -174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.7 p -64.63 -21.47 66.73 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.12 -1.07 39.13 Favored Glycine 0 CA--C 1.538 1.483 0 CA-C-O 119.103 -0.831 . . . . 0.0 115.141 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.5 m -130.16 127.94 22.68 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 118.194 0.997 . . . . 0.0 109.438 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.64 160.85 48.1 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.424 2.083 . . . . 0.0 111.354 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.422 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 35.5 p-90 -61.11 -53.98 50.33 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.066 -169.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.422 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -35.35 -27.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 172.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.33 -32.6 6.21 Favored 'General case' 0 C--O 1.226 -0.152 0 O-C-N 123.575 0.547 . . . . 0.0 112.395 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.21 -56.82 8.07 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.552 0.691 . . . . 0.0 110.229 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.526 HD12 HG12 ' A' ' 510' ' ' ILE 0.311 38.9 pt -41.91 -37.64 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.209 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.418 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.0 m-30 -76.18 -2.12 29.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.89 169.33 1.48 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -129.02 168.32 16.21 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.252 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.17 -41.83 89.35 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.02 -47.57 79.72 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 122.307 -0.246 . . . . 0.0 111.264 173.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 11.4 m -61.8 -36.51 81.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.566 -0.731 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.6 mp -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.55 1.068 . . . . 0.0 111.256 171.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -34.08 57.41 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.766 -0.584 . . . . 0.0 112.053 172.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -85.69 -18.1 34.09 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -23.12 56.31 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.148 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 114.08 17.28 7.36 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 124.162 0.914 . . . . 0.0 113.622 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 22.7 t -107.59 63.37 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.31 -32.71 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.678 -168.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.82 141.5 48.02 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.665 0.666 . . . . 0.0 112.118 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -44.49 93.88 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 174.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.69 -66.31 2.93 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.78 -62.64 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 166.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 499' ' ' ARG . . . . . 0.433 ' HA ' HD23 ' A' ' 488' ' ' LEU . 26.3 ttm180 -48.43 -56.8 7.25 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -177.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.07 -32.25 70.77 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.948 0.795 . . . . 0.0 112.656 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.92 -34.62 71.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.403 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.33 -52.41 64.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.325 0.966 . . . . 0.0 110.37 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.95 -36.28 74.55 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.719 0.771 . . . . 0.0 112.44 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -59.8 -59.15 5.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.718 168.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.16 -48.34 45.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.199 0.937 . . . . 0.0 112.009 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.508 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.7 m-30 -57.21 -45.21 84.0 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 129.817 3.247 . . . . 0.0 113.712 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.3 -29.81 74.71 Favored Glycine 0 CA--C 1.527 0.801 0 O-C-N 119.814 -1.804 . . . . 0.0 111.802 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.59 -70.45 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.554 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.2 m -41.83 -56.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 117.813 -1.089 . . . . 0.0 113.709 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.554 ' H ' HG23 ' A' ' 509' ' ' VAL . 32.4 mt -39.43 -45.05 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 120.2 1.363 . . . . 0.0 113.405 170.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.7 -55.45 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.7 -29.86 62.87 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 172.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -72.06 -41.27 67.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.233 0.54 . . . . 0.0 111.639 176.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -69.51 -12.47 61.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.436 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -102.59 -22.28 14.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.554 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.34 26.58 2.63 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.41 1.069 . . . . 0.0 113.593 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.11 -8.71 59.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.25 154.34 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.325 1.059 . . . . 0.0 109.426 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.65 125.33 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.502 -1.226 . . . . 0.0 108.501 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -61.51 -7.69 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 40.7 m -71.33 -14.99 62.38 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 169.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.22 64.11 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.797 -169.907 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -68.79 18.51 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 128.64 2.776 . . . . 0.0 114.789 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.73 128.99 29.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 C-N-CA 125.441 1.496 . . . . 0.0 110.333 -169.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.19 -32.39 82.69 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.762 2.308 . . . . 0.0 114.165 -171.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -79.09 -32.61 44.75 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.304 0.241 . . . . 0.0 110.579 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.77 -49.85 35.25 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.41 0.284 . . . . 0.0 110.583 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.08 -38.07 72.79 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.77 -47.54 65.94 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.096 -1.003 . . . . 0.0 112.85 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -98.02 83.02 3.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.501 0.667 . . . . 0.0 112.009 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 28.8 mm -46.29 -40.41 18.14 Favored Pre-proline 0 N--CA 1.486 1.328 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.39 -36.08 68.86 Favored 'Trans proline' 0 C--N 1.353 0.775 0 CA-C-N 122.6 1.964 . . . . 0.0 112.919 174.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.3 ttp -77.45 -26.27 51.32 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.06 0.845 . . . . 0.0 111.706 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.6 -50.01 75.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.785 -0.572 . . . . 0.0 110.652 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -70.33 -27.15 64.14 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.437 1.095 . . . . 0.0 113.688 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -55.49 -42.26 74.17 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 167.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 47.6 m -66.74 14.88 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 175.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 86.4 mt -139.27 -16.04 1.08 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.854 2.462 . . . . 0.0 112.725 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 61.32 25.67 15.6 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 123.097 1.427 . . . . 0.0 114.343 -173.42 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 49.3 mt -105.48 13.97 29.35 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 111.988 -2.369 . . . . 0.0 108.698 168.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -64.48 11.31 0.05 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -71.19 -36.16 71.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.266 1.031 . . . . 0.0 109.869 171.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -94.75 16.11 16.63 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.151 -1.841 . . . . 0.0 111.15 -170.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -53.49 -38.24 63.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.99 -26.85 43.31 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.854 0.752 . . . . 0.0 112.347 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.08 62.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.271 0.557 . . . . 0.0 111.019 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.0 mt -107.07 -13.84 15.08 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.283 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 45.4 t -61.19 -24.08 66.06 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.87 2.88 10.94 Favored Glycine 0 CA--C 1.541 1.66 0 N-CA-C 115.746 1.058 . . . . 0.0 115.746 173.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 76.7 m -137.76 127.87 15.43 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 118.51 1.155 . . . . 0.0 109.817 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.46 158.95 50.29 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.203 1.935 . . . . 0.0 111.241 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.449 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.0 p-90 -60.23 -56.31 23.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 118.971 -0.537 . . . . 0.0 111.068 -172.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.5 tp -34.84 -26.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 172.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -114.77 -33.42 5.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.788 0.435 . . . . 0.0 111.675 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 483' ' ' LEU . 11.7 tp -45.57 -57.91 3.81 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.825 0.703 . . . . 0.0 110.78 174.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 510' ' ' ILE 0.312 42.1 pt -42.12 -35.23 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.136 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.95 2.99 28.13 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 483' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.7 mm? -57.44 168.34 0.82 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 175.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -127.09 166.88 16.79 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.833 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.77 -37.95 86.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.259 -0.276 . . . . 0.0 111.368 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.4 m -60.09 -38.77 83.92 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.26 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -51.43 67.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.703 0.683 . . . . 0.0 111.202 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.71 -40.5 72.5 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.01 -11.62 56.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -92.95 -15.65 26.04 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 120.41 12.53 6.17 Favored Glycine 0 N--CA 1.475 1.247 0 CA-C-O 119.886 -0.397 . . . . 0.0 114.041 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.8 64.55 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -28.9 66.33 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -166.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.85 142.15 47.98 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.322 0.965 . . . . 0.0 112.199 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.0 -41.35 99.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.345 168.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.16 -68.32 1.75 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.42 -65.06 0.19 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -56.93 -45.71 82.55 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -170.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 46.5 ttm-85 -63.63 -34.09 77.05 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.654 0.661 . . . . 0.0 111.881 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -69.44 -31.6 70.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.915 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.31 -47.73 81.01 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.633 1.106 . . . . 0.0 110.384 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.27 -37.62 78.08 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -64.44 -55.95 17.44 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.186 171.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.2 -48.44 45.28 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.209 0.943 . . . . 0.0 112.037 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.557 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.6 m-30 -55.22 -48.25 74.18 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 128.925 2.89 . . . . 0.0 113.533 172.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.54 -29.22 73.97 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 119.987 -1.696 . . . . 0.0 112.026 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.6 mt -71.03 -70.32 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.506 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.3 m -41.67 -56.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 C-N-CA 118.716 -1.193 . . . . 0.0 113.624 176.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.565 HG12 HD12 ' A' ' 481' ' ' ILE . 37.6 mt -38.93 -44.71 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.02 -54.64 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.981 0.801 . . . . 0.0 109.086 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -57.72 -29.31 64.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.35 -41.18 73.49 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 118.322 0.51 . . . . 0.0 111.017 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -76.9 -18.06 58.55 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -85.59 -22.46 28.03 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.563 170.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 14.6 t70 83.87 15.89 0.26 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 125.747 1.904 . . . . 0.0 112.751 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.09 -5.88 46.56 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.25 132.89 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.613 0.72 . . . . 0.0 111.307 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 521' ' ' SER . 10.7 m-20 -70.3 9.42 0.6 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -172.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.257 37.6 mmt-85 51.98 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.348 0.51 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 -168.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 521' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 519' ' ' ASP . 34.0 m -93.2 -15.86 25.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.509 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.19 -27.72 63.71 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.999 -176.645 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.853 0.359 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 448' ' ' THR . . . . . 0.411 HG21 ' CG ' ' A' ' 512' ' ' TYR . 74.2 p -69.17 15.94 0.06 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 131.256 3.822 . . . . 0.0 114.399 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.7 131.64 28.94 Favored Pre-proline 0 N--CA 1.467 0.419 0 C-N-CA 127.057 2.143 . . . . 0.0 109.967 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.6 -25.04 21.31 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.472 1.448 . . . . 0.0 113.474 -169.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -73.78 -41.06 62.95 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.02 -52.07 27.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.577 172.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.88 -40.17 75.7 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.29 -40.91 96.91 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.11 87.05 2.42 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.0 mm -46.78 -41.93 30.51 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.11 -38.63 94.55 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.705 2.27 . . . . 0.0 114.988 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.7 ttp -81.9 -29.04 32.55 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.757 -0.589 . . . . 0.0 111.174 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -58.13 -47.17 84.12 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.951 -0.468 . . . . 0.0 111.027 166.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.6 tp -66.24 -23.47 66.42 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -54.55 -41.1 69.39 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 166.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.2 m -68.44 -14.42 62.99 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.82 -4.1 33.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.973 1.309 . . . . 0.0 112.985 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.292 21.8 mmt180 58.89 38.75 24.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.654 1.216 . . . . 0.0 113.826 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.77 -59.38 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 112.026 -2.352 . . . . 0.0 107.411 167.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 30.13 30.47 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -176.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -118.17 -39.07 3.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.624 0.726 . . . . 0.0 110.316 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -82.66 14.47 3.12 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.756 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 14.6 m -53.77 -31.44 48.66 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.94 -27.29 30.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.943 0.792 . . . . 0.0 112.497 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 122.215 1.007 . . . . 0.0 111.017 174.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.8 mt -95.54 -11.59 27.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.062 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 13.1 t -68.37 174.99 3.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.796 0.808 . . . . 0.0 110.925 167.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.93 5.39 39.4 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 121.646 -0.659 . . . . 0.0 112.781 -167.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.4 m -137.27 117.86 10.67 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -70.27 160.91 47.93 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.329 2.019 . . . . 0.0 110.44 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -61.65 -55.73 27.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.126 -171.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -33.83 -27.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 170.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -113.35 -28.84 7.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 483' ' ' LEU . 12.1 tp -51.36 -54.77 23.15 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.722 0.772 . . . . 0.0 109.441 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.567 HG22 HG21 ' A' ' 509' ' ' VAL 0.324 37.8 pt -43.46 -34.92 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 173.033 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -81.44 4.81 19.68 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 480' ' ' LEU . 2.3 mm? -59.16 168.12 1.51 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 122.492 1.139 . . . . 0.0 112.819 172.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.0 168.25 15.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.535 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -58.3 -43.99 88.32 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.83 -44.39 96.94 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.955 -0.466 . . . . 0.0 111.621 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.6 m -66.83 -35.66 80.56 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.357 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -45.73 93.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.253 1.388 . . . . 0.0 110.687 171.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -37.11 62.96 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.611 -0.681 . . . . 0.0 111.613 171.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -84.82 -17.92 36.58 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -72.02 -35.03 69.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.427 0.558 . . . . 0.0 110.517 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 126.58 19.5 2.06 Favored Glycine 0 CA--C 1.535 1.337 0 O-C-N 124.253 0.97 . . . . 0.0 113.292 -169.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.76 63.65 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -176.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -31.95 69.07 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 114.471 -1.24 . . . . 0.0 114.129 -168.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.25 142.92 52.27 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.575 0.625 . . . . 0.0 110.538 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.54 -44.8 89.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.987 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.03 -64.05 4.4 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.81 -62.9 0.28 Allowed 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.544 0.791 . . . . 0.0 112.965 167.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 32.6 ttp-105 -53.84 -50.3 66.52 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -60.11 -37.43 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 111.947 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -65.16 -32.23 73.81 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.846 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.35 -47.91 69.05 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.758 0.708 . . . . 0.0 110.549 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.36 -38.73 81.16 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.091 0.86 . . . . 0.0 113.103 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -62.71 -56.66 15.57 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.602 172.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.5 43.14 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 124.202 0.939 . . . . 0.0 112.64 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.556 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -54.35 -46.41 72.93 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 128.847 2.859 . . . . 0.0 113.281 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 -30.01 75.87 Favored Glycine 0 CA--C 1.525 0.711 0 O-C-N 119.842 -1.786 . . . . 0.0 112.015 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.77 -70.86 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.573 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.0 m -41.87 -57.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 CA-C-O 117.655 -1.164 . . . . 0.0 113.755 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.573 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.6 mt -39.4 -45.16 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 CA-C-N 120.018 1.281 . . . . 0.0 112.926 170.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.44 -54.96 41.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 512' ' ' TYR . . . . . 0.411 ' CG ' HG21 ' A' ' 448' ' ' THR . 7.1 m-85 -59.47 -29.84 68.1 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.426 ' HE2' HD11 ' A' ' 478' ' ' ILE . 56.3 tttm -68.94 -42.57 76.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.447 0.567 . . . . 0.0 110.411 176.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.95 -13.27 62.16 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.367 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -97.77 -21.39 16.99 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.329 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.23 20.89 1.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.912 1.383 . . . . 0.0 113.126 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -4.95 46.71 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.35 139.81 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.659 0.742 . . . . 0.0 110.514 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -75.49 148.58 38.89 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 123.037 1.399 . . . . 0.0 110.326 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -67.31 -6.82 20.32 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 49.2 m -98.3 -9.01 26.12 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.7 73.39 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.723 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.546 -178.72 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -62.74 20.24 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 130.683 3.593 . . . . 0.0 114.947 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.99 128.22 32.82 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 126.915 2.086 . . . . 0.0 109.324 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.76 -23.81 30.37 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 121.812 1.675 . . . . 0.0 113.627 -168.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -48.46 79.81 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.071 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.77 -40.05 78.86 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.28 -49.36 78.12 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.205 -0.934 . . . . 0.0 113.481 171.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.03 101.15 8.5 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.685 1.231 . . . . 0.0 113.848 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.97 -37.3 13.45 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-N 113.086 -1.87 . . . . 0.0 115.515 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -54.06 -38.19 87.0 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.584 2.189 . . . . 0.0 115.042 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 39.5 mtp -76.63 -41.02 47.44 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.259 -0.9 . . . . 0.0 110.753 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -53.02 -48.48 67.53 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.216 0.531 . . . . 0.0 112.231 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.03 -25.04 61.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.855 1.662 . . . . 0.0 113.476 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.14 -48.33 44.84 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -58.74 -16.85 18.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 125.687 1.867 . . . . 0.0 115.524 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 78.7 mt -101.79 -8.26 21.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.318 1.447 . . . . 0.0 113.94 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.255 34.2 mmt180 64.32 14.73 8.95 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -170.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 88.1 mt -99.59 13.98 31.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.178 175.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -62.76 13.17 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -78.87 -33.86 45.46 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.726 0.774 . . . . 0.0 108.913 167.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -91.82 11.29 25.26 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.778 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 57.8 m -51.54 -35.14 39.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.78 -26.15 44.41 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 112.736 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -77.99 -21.34 51.0 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.194 0.521 . . . . 0.0 110.697 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' LEU . . . . . 0.407 HD23 ' HE3' ' A' ' 491' ' ' LYS . 69.8 mt -110.3 -15.79 13.88 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.904 -175.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 38.6 t -72.18 -12.5 61.2 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -72.62 1.83 34.86 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 114.603 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 4.0 m -138.78 134.09 16.96 Favored Pre-proline 0 N--CA 1.474 0.726 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.52 161.28 44.56 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.443 2.095 . . . . 0.0 111.368 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.443 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -61.94 -56.56 17.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.477 -172.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.443 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -34.08 -26.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 171.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -115.34 -27.92 7.06 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.41 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.9 tp -48.94 -55.78 10.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.673 0.749 . . . . 0.0 109.677 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.563 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.329 38.1 pt -42.97 -36.31 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 174.007 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.405 ' CD1' HG13 ' A' ' 481' ' ' ILE . 15.0 m-30 -80.12 2.19 25.03 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -178.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.16 169.65 1.52 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 122.493 1.14 . . . . 0.0 112.793 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -130.73 167.37 18.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.673 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.59 -43.6 84.76 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.31 -45.27 76.99 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.929 -0.482 . . . . 0.0 111.885 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 48.3 m -62.04 -40.53 96.08 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.848 -0.532 . . . . 0.0 110.595 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.56 -47.43 86.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.976 0.353 . . . . 0.0 111.174 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -53.0 -41.25 64.45 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 117.973 0.351 . . . . 0.0 111.702 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.15 -11.78 57.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 491' ' ' LYS . . . . . 0.407 ' HE3' HD23 ' A' ' 472' ' ' LEU . 20.9 ttpt -88.35 -12.34 43.67 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.02 16.58 6.7 Favored Glycine 0 N--CA 1.474 1.215 0 O-C-N 123.56 0.537 . . . . 0.0 113.527 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.6 t -109.04 64.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.4 -26.78 61.13 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.366 -1.288 . . . . 0.0 114.289 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.67 140.5 44.27 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.555 0.616 . . . . 0.0 111.547 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.72 -44.23 93.81 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.17 168.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.28 -66.18 3.03 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.72 -67.84 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 O-C-N 124.833 0.961 . . . . 0.0 113.13 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -46.53 -54.85 8.52 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -177.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -59.02 -36.18 74.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.62 -27.9 64.43 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 118.098 -0.954 . . . . 0.0 112.549 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.51 -49.63 68.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.3 0.954 . . . . 0.0 109.596 169.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.11 -37.31 74.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -63.27 -58.89 5.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.789 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.91 50.05 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.161 0.913 . . . . 0.0 112.348 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.563 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.57 -49.63 75.76 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 130.258 3.423 . . . . 0.0 113.203 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.81 -29.73 75.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 119.778 -1.826 . . . . 0.0 111.812 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 26.3 mt -70.51 -71.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.51 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.4 -54.97 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.303 177.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.51 ' H ' HG23 ' A' ' 509' ' ' VAL . 41.5 mt -38.93 -47.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-N 119.824 1.193 . . . . 0.0 113.528 170.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.04 -55.29 37.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.985 0.898 . . . . 0.0 109.741 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -58.7 -27.68 65.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.411 ' HE2' HD11 ' A' ' 478' ' ' ILE . 59.3 tttm -68.88 -45.3 71.34 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 122.9 0.48 . . . . 0.0 110.759 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.06 -19.31 61.2 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -88.88 -25.68 22.01 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.161 172.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.53 27.08 3.92 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.586 1.179 . . . . 0.0 113.061 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.09 -7.18 56.64 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.92 157.37 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.071 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.42 139.37 39.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.283 1.039 . . . . 0.0 109.589 174.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.57 -12.54 33.63 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 18.4 m -75.93 -15.96 60.09 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.4 75.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.359 0.981 . . . . 0.0 112.074 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--O 1.252 1.228 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.948 -176.726 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.809 0.337 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 68.4 p -71.06 15.88 0.1 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.443 3.497 . . . . 0.0 115.334 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.81 134.3 23.27 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 126.175 1.79 . . . . 0.0 110.241 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.65 -24.83 25.15 Favored 'Trans proline' 0 C--N 1.345 0.373 0 CA-C-N 121.345 1.516 . . . . 0.0 113.347 -169.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -75.65 -40.77 55.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.19 -49.87 52.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.974 170.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.21 -38.98 81.23 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.205 0.457 . . . . 0.0 111.991 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -73.17 -26.33 61.14 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 171.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -118.39 83.05 1.95 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.505 0.669 . . . . 0.0 111.687 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.2 mm -49.04 -41.68 55.63 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -172.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.36 -37.1 88.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.653 2.235 . . . . 0.0 114.035 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 27.5 ttp -81.33 -30.63 33.79 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.837 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -57.06 -50.26 73.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.509 0.671 . . . . 0.0 111.387 168.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.0 tp -62.95 -27.96 69.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.666 1.186 . . . . 0.0 112.364 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 466' ' ' HIS . 0.9 OUTLIER -56.95 -7.08 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.462 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.4 m -99.26 5.62 46.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.85 -13.42 6.37 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -174.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' ARG . . . . . 0.483 ' HA ' ' NE2' ' A' ' 466' ' ' HIS 0.372 46.1 mmt-85 64.97 30.4 11.87 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 123.325 1.536 . . . . 0.0 114.029 -171.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 56.8 mt -116.57 11.54 14.79 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 111.364 -2.653 . . . . 0.0 110.632 173.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' HIS . . . . . 0.606 ' CD2' ' HA ' ' A' ' 461' ' ' LYS . 2.6 p80 -69.3 20.39 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -177.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -91.7 -26.82 18.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.023 168.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -89.93 10.65 23.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.938 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -50.85 -35.6 33.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.25 -27.77 47.66 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.542 1.064 . . . . 0.0 112.57 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.96 -27.64 61.95 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.395 0.617 . . . . 0.0 110.55 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 59.6 mt -104.1 -16.75 15.17 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.126 -174.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 43.7 t -66.43 -19.35 65.77 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.84 0.08 23.23 Favored Glycine 0 CA--C 1.542 1.729 0 N-CA-C 115.756 1.063 . . . . 0.0 115.756 174.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 55.1 m -137.11 133.0 18.3 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.954 0.877 . . . . 0.0 109.376 -177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.34 160.23 49.38 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.985 1.79 . . . . 0.0 111.185 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.9 p-90 -60.35 -57.64 11.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.952 -0.547 . . . . 0.0 110.62 -171.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.7 tp -34.39 -26.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 171.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -114.33 -30.82 6.47 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.2 tp -47.93 -56.66 7.08 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.78 0.8 . . . . 0.0 109.817 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.542 HD12 HG12 ' A' ' 510' ' ' ILE 0.322 38.5 pt -43.07 -35.7 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 174.269 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.416 ' CD1' HG13 ' A' ' 481' ' ' ILE . 15.9 m-30 -80.13 0.49 31.97 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -178.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.34 170.72 0.91 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.255 1.026 . . . . 0.0 113.646 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -128.03 165.59 20.02 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.356 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -57.71 -41.4 81.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.6 -41.67 79.27 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.777 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 8.8 m -62.68 -39.39 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.436 -0.79 . . . . 0.0 110.954 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 499' ' ' ARG . 4.2 mp -54.69 -54.77 37.38 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.413 173.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.48 -29.86 70.9 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 121.193 1.815 . . . . 0.0 113.284 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -73.76 -16.93 61.15 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -88.83 -13.76 38.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.99 14.39 7.89 Favored Glycine 0 N--CA 1.476 1.351 0 O-C-N 123.662 0.601 . . . . 0.0 113.966 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -107.2 65.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 122.519 1.152 . . . . 0.0 108.156 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -38.6 77.24 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.612 -1.176 . . . . 0.0 113.174 -168.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.9 134.23 49.31 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -59.42 -41.54 89.77 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.31 -67.3 2.27 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.54 -62.32 0.35 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 166.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' ARG . . . . . 0.459 ' HA ' HD23 ' A' ' 488' ' ' LEU . 8.5 ttm180 -49.98 -58.71 4.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -59.51 -33.56 71.5 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.743 0.702 . . . . 0.0 111.921 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.85 -32.66 71.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.65 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.05 -49.64 75.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.364 0.984 . . . . 0.0 110.28 168.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.55 -34.83 74.71 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.866 0.841 . . . . 0.0 112.964 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.25 -58.83 6.27 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.148 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.09 -45.69 32.92 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.029 0.831 . . . . 0.0 112.223 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.538 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.3 m-30 -58.35 -46.67 85.83 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 129.889 3.276 . . . . 0.0 113.208 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.26 74.85 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 119.803 -1.81 . . . . 0.0 111.896 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.8 mt -69.75 -71.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.528 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.8 m -41.36 -56.83 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.676 177.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.542 HG12 HD12 ' A' ' 481' ' ' ILE . 36.7 mt -39.29 -45.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 119.694 1.133 . . . . 0.0 113.301 170.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.57 -54.64 44.77 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.6 -29.47 68.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 174.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -67.36 -44.58 78.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.648 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.19 -10.76 60.3 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.409 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.72 -21.38 13.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.453 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.3 t70 71.73 25.34 3.25 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.308 1.005 . . . . 0.0 113.193 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.57 -6.7 56.26 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 45.1 mt -79.93 157.06 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 122.553 1.168 . . . . 0.0 109.677 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -75.69 140.89 42.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.82 1.295 . . . . 0.0 110.468 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 520' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' A' ' 523' ' ' TYR 0.263 15.7 tpt85 -50.95 -28.46 9.85 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 112.51 -2.132 . . . . 0.0 113.266 170.608 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 22.2 m -72.78 -14.64 61.57 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.88 60.67 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.691 1.132 . . . . 0.0 111.513 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 520' ' ' ARG . 13.1 m-30 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.98 -173.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 CA--C 1.534 0.329 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 16.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 1 C-N-CA 133.41 4.684 . . . . 0.0 114.277 -174.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.25 121.32 63.99 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 126.446 1.899 . . . . 0.0 109.129 -171.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.44 -22.52 38.94 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.161 1.907 . . . . 0.0 112.908 -169.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -71.47 -53.43 13.98 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -60.26 -47.25 86.79 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.663 175.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.26 -41.49 88.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -59.01 -50.55 73.68 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.43 -0.794 . . . . 0.0 112.833 170.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.25 98.35 7.06 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.952 1.358 . . . . 0.0 113.54 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.1 mm -45.43 -39.41 10.01 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.273 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.95 -44.73 26.84 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.695 2.264 . . . . 0.0 115.577 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.6 mtp -80.25 -31.7 38.43 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.838 0.745 . . . . 0.0 111.027 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -52.12 -49.86 62.83 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.51 -0.744 . . . . 0.0 112.531 170.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.01 -28.33 65.41 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 173.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -53.34 -46.96 69.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.137 1.335 . . . . 0.0 112.98 173.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.9 m -65.15 -2.3 2.8 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.5 mt -120.44 -2.88 9.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.245 1.818 . . . . 0.0 114.293 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 62.19 13.26 5.7 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -169.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 92.1 mt -95.87 10.63 36.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.411 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -66.83 13.78 0.05 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -88.84 -28.44 20.4 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 171.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -99.7 6.44 45.57 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.024 -175.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 56.3 m -49.73 -36.12 24.48 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.52 -31.47 47.58 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.57 -17.87 63.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.121 174.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 46.4 mt -112.54 -13.27 13.35 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.762 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.2 t -67.76 -21.0 65.29 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -68.21 -0.57 16.33 Favored Glycine 0 CA--C 1.54 1.653 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.789 170.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.4 m -134.37 128.83 19.44 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 117.854 0.827 . . . . 0.0 109.506 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.14 161.53 44.37 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.269 1.98 . . . . 0.0 111.231 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 477' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 32.2 p-90 -61.05 -56.94 15.08 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.481 -171.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.6 tp -34.36 -27.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 171.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -109.4 -34.55 6.5 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.993 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.8 tp -46.16 -57.61 4.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 124.132 0.895 . . . . 0.0 110.49 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.701 HG22 HG21 ' A' ' 509' ' ' VAL 0.332 37.3 pt -42.66 -35.7 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 175.184 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -81.43 2.03 30.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -59.28 167.94 1.64 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.418 1.104 . . . . 0.0 113.229 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -127.78 164.77 21.44 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.027 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -58.74 -38.79 79.18 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.21 -41.8 76.61 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 23.6 m -62.73 -39.76 95.07 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 120.973 -1.08 . . . . 0.0 110.731 173.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -55.31 29.39 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.025 174.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -65.01 -28.1 69.27 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 121.456 1.935 . . . . 0.0 114.051 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.42 -11.57 59.91 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.945 -1.097 . . . . 0.0 113.658 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.01 -12.76 21.57 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 119.79 11.5 7.07 Favored Glycine 0 N--CA 1.477 1.4 0 O-C-N 123.282 0.364 . . . . 0.0 113.919 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.13 62.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.683 1.23 . . . . 0.0 108.388 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -32.97 74.73 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -168.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.67 144.18 56.53 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.451 0.643 . . . . 0.0 111.122 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -35.1 76.64 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.62 -0.675 . . . . 0.0 111.05 169.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.44 -63.61 4.54 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.7 -68.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.946 1.027 . . . . 0.0 113.578 168.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -55.87 -45.29 78.56 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.993 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.23 -34.17 75.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.988 0.813 . . . . 0.0 112.117 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.74 -34.93 77.81 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.927 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.62 -51.69 64.15 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.658 0.663 . . . . 0.0 110.021 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -36.49 73.83 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt -63.96 -56.65 13.6 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.35 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -52.23 -45.5 65.32 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 122.426 1.107 . . . . 0.0 112.351 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.569 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.2 m-30 -54.69 -37.66 66.08 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 128.356 2.662 . . . . 0.0 112.608 169.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.23 -32.31 75.99 Favored Glycine 0 CA--C 1.524 0.605 0 O-C-N 119.753 -1.842 . . . . 0.0 112.549 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 2.3 mp -63.31 -72.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 119.709 1.754 . . . . 0.0 109.201 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.701 HG21 HG22 ' A' ' 481' ' ' ILE . 4.2 m -41.54 -60.19 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-O 118.013 -0.994 . . . . 0.0 113.369 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 510' ' ' ILE . . . . . 0.653 ' H ' HG23 ' A' ' 509' ' ' VAL . 27.6 mt -38.55 -46.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 171.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.46 -56.85 16.45 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.18 -28.69 65.01 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.418 ' HE2' HD11 ' A' ' 478' ' ' ILE . 57.5 tttm -70.11 -42.74 72.24 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 122.647 0.379 . . . . 0.0 110.273 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.46 -21.76 59.44 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -83.73 -22.18 32.06 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.889 171.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.2 t70 73.96 22.88 2.32 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 124.925 1.391 . . . . 0.0 113.058 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -3.95 45.23 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.0 mm -57.25 143.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.716 0.77 . . . . 0.0 109.939 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 521' ' ' SER . 12.8 m-20 -69.0 3.29 2.11 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 177.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.294 14.5 mmt180 47.29 7.64 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 118.831 2.9 . . . . 0.0 118.831 -167.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 521' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 519' ' ' ASP . 66.8 m -104.73 -12.52 16.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.633 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.32 -27.43 67.15 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 172.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--O 1.255 1.375 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -175.202 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.2 166.98 28.26 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.213 2.608 . . . . 0.0 112.296 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -134.06 -10.96 2.6 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 50.9 m -141.17 -80.33 0.25 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.703 1.201 . . . . 0.0 111.702 -175.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 21.6 mt 63.4 -37.65 0.17 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 129.322 3.049 . . . . 0.0 115.47 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.4 p -68.63 27.26 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 130.734 3.614 . . . . 0.0 113.645 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -108.03 126.78 28.96 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 126.974 2.11 . . . . 0.0 108.985 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -70.44 -24.84 26.12 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 121.924 1.749 . . . . 0.0 113.235 -168.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.06 -41.8 61.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -48.68 64.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 171.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.8 -43.12 90.46 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.475 0.58 . . . . 0.0 112.092 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -68.11 -29.68 68.66 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -115.36 82.99 1.84 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.291 0.567 . . . . 0.0 111.827 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 33.8 mm -46.11 -42.71 28.62 Favored Pre-proline 0 N--CA 1.486 1.341 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.56 -41.74 59.23 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 122.558 2.172 . . . . 0.0 114.255 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.6 ttp -84.12 -26.0 29.25 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.744 -0.598 . . . . 0.0 111.883 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -58.64 -46.7 86.56 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.574 0.702 . . . . 0.0 110.161 166.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.27 -25.76 59.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.057 1.743 . . . . 0.0 114.385 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -54.42 -47.82 72.36 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.4 m -64.82 -2.7 2.71 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.3 mt -119.86 2.04 11.03 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.561 1.945 . . . . 0.0 113.653 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 57.99 16.39 3.72 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 20.4 mt -104.33 7.1 35.67 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -60.08 6.15 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -86.23 -28.52 23.79 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.596 0.712 . . . . 0.0 109.984 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -91.96 12.3 22.23 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.877 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 80.5 p -57.79 -32.05 67.15 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.951 -1.093 . . . . 0.0 113.776 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.95 -25.95 40.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.376 0.989 . . . . 0.0 112.329 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.79 -28.02 60.56 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.902 0.858 . . . . 0.0 111.271 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.06 -13.08 18.36 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.142 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 21.6 t -69.95 174.96 4.74 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.567 0.699 . . . . 0.0 111.343 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.07 8.42 49.5 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.534 -0.729 . . . . 0.0 113.168 -168.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 44.3 m -139.29 121.05 9.98 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.94 160.76 46.84 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.108 1.872 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.3 p-90 -61.2 -56.51 19.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.276 -173.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.42 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -34.17 -26.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -113.05 -38.76 4.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.757 0.423 . . . . 0.0 111.903 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 6.6 tp -45.51 -60.14 2.34 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.524 0.515 . . . . 0.0 109.723 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.563 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.276 38.8 pt -41.13 -36.39 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 176.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.408 ' CD1' HG13 ' A' ' 481' ' ' ILE . 11.7 m-30 -74.77 -6.13 47.19 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 155.34 0.97 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 124.458 2.075 . . . . 0.0 115.493 172.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -113.27 166.68 11.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 109.446 -3.525 . . . . 0.0 111.413 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.41 -41.14 72.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.58 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.827 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 5.7 m -58.2 -44.98 88.37 Favored 'General case' 0 C--O 1.223 -0.322 0 O-C-N 121.44 -0.788 . . . . 0.0 110.689 173.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -48.49 81.45 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.526 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -64.43 -27.95 69.34 Favored 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 118.81 -2.431 . . . . 0.0 113.086 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -78.63 -19.53 52.44 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -74.4 -31.68 62.42 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.289 0.495 . . . . 0.0 110.926 172.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 122.27 14.57 4.45 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.853 0.721 . . . . 0.0 113.662 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -102.39 63.87 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 122.188 0.994 . . . . 0.0 108.48 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.17 -29.64 64.21 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -168.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.69 139.71 58.8 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.863 0.756 . . . . 0.0 111.201 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.64 -44.14 94.74 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.121 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -63.05 -59.49 8.98 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.16 -69.46 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 167.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.01 -45.67 79.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -57.46 -38.96 75.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.697 0.399 . . . . 0.0 111.645 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.83 -25.22 56.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.123 -0.942 . . . . 0.0 112.243 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.78 -48.98 74.72 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 119.631 1.105 . . . . 0.0 109.114 167.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.8 mt -57.42 -37.48 72.84 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -62.62 -60.11 3.98 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.38 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.54 -47.4 39.26 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.078 0.861 . . . . 0.0 112.194 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.563 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.7 m-30 -58.15 -47.05 84.56 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 129.347 3.059 . . . . 0.0 113.911 174.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.54 -29.66 75.77 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 119.877 -1.765 . . . . 0.0 111.716 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.5 mt -70.73 -70.69 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.551 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.7 m -42.08 -56.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.564 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.551 ' H ' HG23 ' A' ' 509' ' ' VAL . 35.7 mt -39.8 -44.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 CA-C-N 119.645 1.111 . . . . 0.0 113.348 170.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.38 -55.12 39.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.95 -28.58 67.76 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.698 1.369 . . . . 0.0 114.698 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -67.08 -45.45 77.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.512 0.672 . . . . 0.0 110.703 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -71.04 -12.08 61.32 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.493 -1.231 . . . . 0.0 112.407 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -102.66 -19.9 14.62 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.234 -0.889 . . . . 0.0 112.096 174.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.8 t70 77.57 18.74 1.28 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 124.686 1.241 . . . . 0.0 113.455 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.3 mp -76.12 -10.02 59.08 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 36.3 mt -79.68 152.86 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 122.39 1.09 . . . . 0.0 110.227 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.45 147.51 32.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.523 1.154 . . . . 0.0 110.141 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 41.9 mmt-85 -63.04 -15.37 56.27 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.51 -1.223 . . . . 0.0 114.096 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 16.3 m -76.7 -16.72 59.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.9 77.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.361 0.982 . . . . 0.0 111.833 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.253 1.279 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.176 -175.679 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 C4'-C3'-C2' 99.422 -3.278 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.857 0 C4'-C3'-C2' 98.969 -3.731 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.955 1 C4'-C3'-C2' 98.476 -4.224 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C5'-C4'-O4' 114.244 3.603 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C5'-C4'-O4' 113.227 2.877 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.948 0 C5'-C4'-C3' 109.591 -3.94 . 0.855 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 0 C4'-C3'-C2' 99.729 -2.971 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O4'-C1'-N19 111.841 3.641 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C5'-C4'-C3' 110.969 -3.021 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.396 4 C5'-C4'-C3' 106.687 -5.875 . 0.455 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.475 0 O5'-C5'-C4' 112.997 1.998 . 0.08 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 1 O5'-C5'-C4' 116.382 4.416 . 0.43 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 C5'-C4'-C3' 110.529 -3.314 . 0.031 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 C4'-C3'-C2' 98.572 -4.128 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 1 P-O3'-C3' 125.489 4.824 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.87 0 C4'-C3'-C2' 99.301 -3.399 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 2 O4'-C1'-N19 113.311 5.111 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 2 O4'-C1'-N19 112.834 4.634 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 O4'-C1'-N19 112.509 4.309 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.862 0 C5'-C4'-C3' 110.022 -3.652 . 0.951 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 1 C4'-C3'-C2' 98.512 -4.188 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 1 C4'-C3'-C2' 98.399 -4.301 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 111.752 3.552 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 117.049 -1.453 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -66.71 167.8 18.37 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.026 1.817 . . . . 0.0 112.333 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -58.11 -67.18 0.37 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.44 1.096 . . . . 0.0 110.968 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 11.2 t -161.97 -26.84 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.541 1.936 . . . . 0.0 112.206 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 22.7 mt 65.36 -33.39 0.17 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 129.794 3.238 . . . . 0.0 114.981 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' THR . . . . . 0.474 HG21 ' CG ' ' A' ' 512' ' ' TYR . 67.7 p -73.5 22.37 0.08 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.832 2.853 . . . . 0.0 113.085 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.18 125.98 45.99 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 127.726 2.411 . . . . 0.0 108.45 -170.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.83 -25.19 33.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 121.718 1.612 . . . . 0.0 113.262 -169.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.26 -43.19 57.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.627 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.75 -49.09 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.373 0.421 . . . . 0.0 110.645 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 60.3 mt -57.73 -43.51 85.35 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.24 0.473 . . . . 0.0 111.931 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -70.44 -25.68 63.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -118.36 82.74 1.89 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.513 0.673 . . . . 0.0 111.833 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 31.5 mm -46.67 -41.6 27.39 Favored Pre-proline 0 N--CA 1.486 1.347 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.73 -40.95 77.91 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.42 2.08 . . . . 0.0 113.876 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.2 ttp -82.38 -26.17 33.1 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.721 -0.612 . . . . 0.0 111.815 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -60.11 -46.42 89.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.749 -0.594 . . . . 0.0 110.394 166.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.5 -30.39 64.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.795 1.238 . . . . 0.0 113.583 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -53.2 -43.53 67.27 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 167.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.1 m -66.1 -3.27 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.57 -6.18 12.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.203 1.801 . . . . 0.0 113.218 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 60.51 25.34 14.98 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -170.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 69.8 mt -109.66 15.72 22.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.731 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -62.95 19.07 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -80.63 -25.48 38.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.375 0.607 . . . . 0.0 109.604 170.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.7 16.31 21.48 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.853 -1.521 . . . . 0.0 111.5 -171.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 65.1 m -51.63 -49.26 62.61 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.26 -24.36 60.45 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.005 0.821 . . . . 0.0 112.343 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.92 -21.52 54.74 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.377 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.5 mt -108.89 -18.56 13.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.858 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 37.6 m -68.71 -14.05 62.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.72 -0.78 42.76 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.893 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -132.42 130.41 21.84 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 158.63 54.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 121.97 1.78 . . . . 0.0 111.192 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.68 -54.36 46.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.464 -171.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.8 tp -35.0 -27.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -116.9 -29.89 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.932 0.493 . . . . 0.0 111.98 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 12.2 tp -48.68 -55.28 11.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.908 0.861 . . . . 0.0 110.683 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.572 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.315 40.6 pt -42.39 -33.18 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 173.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -85.52 5.63 30.59 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.98 169.69 1.42 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.142 0.972 . . . . 0.0 112.576 171.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.96 164.92 23.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.882 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -51.76 -48.07 63.87 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.123 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.59 -45.77 88.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.896 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 55.8 m -64.37 -36.64 84.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 118.69 -0.671 . . . . 0.0 111.091 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -49.8 75.69 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.976 0.807 . . . . 0.0 110.965 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.19 -37.72 67.43 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 122.013 -0.43 . . . . 0.0 112.065 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -87.26 -5.56 58.88 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.39 -1.444 . . . . 0.0 114.462 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -98.52 -6.78 29.52 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 112.52 11.47 14.98 Favored Glycine 0 N--CA 1.477 1.392 0 CA-C-N 117.679 0.218 . . . . 0.0 113.224 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 4.7 t -109.92 61.37 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.401 HD22 ' H ' ' A' ' 494' ' ' LEU . 0.8 OUTLIER -63.52 -32.13 73.5 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.813 -167.701 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.24 139.59 46.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.649 0.738 . . . . 0.0 112.522 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.47 -46.72 81.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.564 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.14 -61.3 7.58 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.06 -67.58 0.13 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 168.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.19 -36.58 84.09 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -60.61 -33.42 72.73 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.811 1.187 . . . . 0.0 112.357 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -75.94 -25.38 55.87 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.087 -0.959 . . . . 0.0 112.71 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.76 -47.84 76.69 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.362 0.983 . . . . 0.0 109.022 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.07 -37.79 77.91 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.005 0.82 . . . . 0.0 113.068 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -62.43 -58.23 8.37 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.517 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.97 43.24 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.129 0.893 . . . . 0.0 112.391 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.572 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.1 m-30 -57.83 -47.1 83.64 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 129.754 3.222 . . . . 0.0 113.81 173.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.07 -29.67 75.96 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 119.73 -1.856 . . . . 0.0 111.887 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.2 mt -70.39 -71.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.567 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.4 m -41.39 -56.53 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.567 ' H ' HG23 ' A' ' 509' ' ' VAL . 39.9 mt -39.11 -45.88 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-N 119.423 1.011 . . . . 0.0 113.186 170.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.1 -55.22 37.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' TYR . . . . . 0.474 ' CG ' HG21 ' A' ' 448' ' ' THR . 8.1 m-85 -59.71 -27.43 66.44 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -70.99 -42.12 70.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.27 0.557 . . . . 0.0 110.945 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.24 -13.84 62.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.44 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -100.87 -21.13 15.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.482 -0.77 . . . . 0.0 112.032 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.99 22.64 2.35 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 113.435 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.36 -11.02 59.92 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.8 mt -73.68 153.32 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 122.325 1.059 . . . . 0.0 110.606 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.0 148.05 34.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.692 1.234 . . . . 0.0 110.942 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -64.35 -17.85 64.1 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.182 -1.372 . . . . 0.0 114.522 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 75.6 m -81.86 -12.49 58.45 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.74 -33.91 74.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.778 1.172 . . . . 0.0 111.771 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.254 1.325 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.185 -175.844 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.211 0 C4'-C3'-C2' 99.458 -3.242 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.835 0 C4'-C3'-C2' 99.091 -3.609 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.918 1 C4'-C3'-C2' 98.294 -4.406 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.896 0 C4'-C3'-C2' 99.118 -3.582 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.926 0 C4'-C3'-C2' 99.536 -3.164 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.95 0 C4'-C3'-C2' 99.239 -3.461 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.896 0 C4'-C3'-C2' 98.832 -3.868 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 111.885 3.685 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 111.098 -2.934 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.557 4 C5'-C4'-C3' 106.289 -6.141 . 0.542 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.398 0 O5'-C5'-C4' 112.723 1.802 . 0.071 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.924 0 O5'-C5'-C4' 115.64 3.886 . 0.458 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.221 0 C5'-C4'-C3' 111.077 -2.949 . 0.08 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 C3'-C2'-C1' 106.235 5.262 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 2 P-O3'-C3' 129.562 8.218 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.814 0 C4'-C3'-C2' 99.189 -3.511 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 2 O4'-C1'-N19 113.097 4.897 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.816 1 O4'-C1'-N19 112.891 4.691 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 2 O4'-C1'-N19 113.052 4.852 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.096 1 C4'-C3'-C2' 98.349 -4.351 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 2 O4'-C1'-N19 112.537 4.337 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 O4'-C1'-N19 112.062 3.862 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 O4'-C1'-N19 111.582 3.382 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -52.42 106.15 0.14 Allowed 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 124.326 3.351 . . . . 0.0 112.451 171.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -60.82 -51.45 69.26 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.502 -0.749 . . . . 0.0 111.075 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 50.6 m -148.66 155.47 41.09 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 127.252 2.221 . . . . 0.0 109.732 173.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 79.6 mt -137.52 -64.44 0.56 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.669 1.588 . . . . 0.0 110.755 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 36.6 p -71.29 60.28 0.29 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 129.059 2.944 . . . . 0.0 112.74 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -134.9 126.99 18.11 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 127.297 2.239 . . . . 0.0 108.756 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.3 -24.68 26.93 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.801 1.668 . . . . 0.0 113.131 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -73.23 -43.99 60.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.2 -51.38 64.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.175 171.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.05 -39.37 78.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' LYS . . . . . 0.406 ' HA ' ' HE3' ' A' ' 454' ' ' LYS . 1.9 tpmt? -59.48 -49.66 76.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.586 -0.696 . . . . 0.0 112.764 173.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.52 97.85 6.87 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 32.0 mm -43.26 -43.0 9.79 Favored Pre-proline 0 N--CA 1.483 1.202 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.2 -42.16 54.96 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.211 1.94 . . . . 0.0 114.158 173.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 17.7 ttp -81.41 -30.71 33.49 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 111.656 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -56.1 -45.15 79.54 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.836 0.744 . . . . 0.0 110.721 166.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.05 -26.9 59.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.98 1.712 . . . . 0.0 114.604 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -54.09 -46.87 72.16 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 168.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.1 m -63.28 -0.67 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 174.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.51 -3.8 8.82 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.963 1.705 . . . . 0.0 114.957 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 62.48 15.97 8.29 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -171.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.0 mt -98.41 1.82 47.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.247 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -62.27 8.42 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -79.52 -35.29 40.25 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.41 -0.806 . . . . 0.0 109.274 166.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -92.36 14.21 17.17 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.163 -172.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 37.2 m -53.09 -32.11 45.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.49 -32.19 37.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.29 0.95 . . . . 0.0 113.429 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.9 -26.81 66.17 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.835 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.94 -13.43 16.91 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 28.4 t -69.03 174.33 4.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.591 0.71 . . . . 0.0 111.599 168.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 69.75 5.56 51.96 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 121.597 -0.689 . . . . 0.0 113.375 -168.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.0 m -136.68 107.22 9.09 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -63.17 156.71 53.66 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.469 2.113 . . . . 0.0 110.469 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -57.31 -50.41 73.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.457 -170.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tp -36.08 -25.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -117.08 -30.4 5.68 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.321 0.648 . . . . 0.0 111.55 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.4 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 10.6 tp -51.26 -59.43 4.22 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.508 HD12 HG12 ' A' ' 510' ' ' ILE 0.315 31.0 pt -42.76 -36.48 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 173.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.416 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.6 m-30 -77.87 8.58 4.43 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 177.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 175.01 0.12 Allowed 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 123.415 1.579 . . . . 0.0 112.955 169.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -138.78 170.17 16.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 112.618 -2.083 . . . . 0.0 108.225 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.34 -40.05 81.13 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.14 -42.33 80.3 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.6 m -61.17 -42.6 98.86 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 110.71 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.34 -48.4 81.47 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.053 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.74 -30.21 71.26 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 122.996 2.634 . . . . 0.0 112.742 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.57 -17.76 55.65 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.46 -31.41 62.23 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.501 0.592 . . . . 0.0 111.09 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 125.1 14.5 3.32 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 123.84 0.713 . . . . 0.0 113.827 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 18.1 t -102.5 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 121.97 0.89 . . . . 0.0 108.714 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -25.91 57.66 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.1 138.29 56.99 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.276 0.56 . . . . 0.0 111.224 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.05 -47.86 84.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.607 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.07 -62.15 6.37 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.94 -66.08 0.13 Allowed 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.916 1.009 . . . . 0.0 113.372 167.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.17 -54.12 28.34 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -55.9 -36.24 67.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.15 -32.19 71.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.549 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.39 -49.12 70.5 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.66 0.663 . . . . 0.0 109.865 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.01 -38.51 70.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -65.19 -59.22 4.32 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.141 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.79 -49.24 39.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 124.142 0.901 . . . . 0.0 112.087 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.503 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.1 m-30 -56.08 -45.78 79.26 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 129.644 3.177 . . . . 0.0 113.729 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.74 -29.98 75.55 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 119.697 -1.877 . . . . 0.0 111.983 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -71.73 -68.56 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.6 m -41.15 -57.53 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 118.907 -1.117 . . . . 0.0 113.71 175.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.57 ' H ' HG23 ' A' ' 509' ' ' VAL . 34.9 mt -39.41 -43.99 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 CA-C-N 119.902 1.228 . . . . 0.0 113.527 170.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -55.56 33.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.99 -25.66 63.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 172.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -72.79 -41.52 64.89 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.423 0.63 . . . . 0.0 110.899 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -70.92 -19.0 62.63 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.002 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -91.51 -22.85 20.17 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.782 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.8 t70 74.45 21.04 2.4 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.621 1.201 . . . . 0.0 113.728 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.99 -8.59 57.66 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.6 mt -77.42 148.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 122.629 1.204 . . . . 0.0 110.303 -176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -81.36 142.62 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.56 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 35.1 mmt-85 -62.52 -13.66 33.15 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 114.568 -1.196 . . . . 0.0 114.159 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 23.8 m -77.92 -16.29 58.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.16 79.16 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.604 0.638 . . . . 0.0 111.743 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--O 1.254 1.302 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.491 -176.6 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.31 0 C4'-C3'-C2' 99.586 -3.114 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.937 0 O4'-C1'-N19 111.691 3.491 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.126 0 C5'-C4'-O4' 114.282 3.63 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.071 1 C5'-C4'-C3' 109.176 -4.216 . 0.486 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 110.909 2.709 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.866 0 C5'-C4'-C3' 110.144 -3.57 . 0.75 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.035 0 C4'-C3'-C2' 99.129 -3.571 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.333 0 O4'-C1'-N19 112.106 3.906 . 0.489 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C5'-C4'-C3' 111.107 -2.929 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -2.022 3 O4'-C1'-N19 113.36 5.16 . 0.203 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.403 -2.319 0 C3'-C2'-C1' 99.086 -2.682 . 0.11 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O5'-C5'-C4' 115.457 3.755 . 0.528 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 0 C5'-C4'-C3' 111.885 -2.41 . 0.088 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C4'-C3'-C2' 99.608 -3.092 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.485 0 P-O3'-C3' 123.177 2.898 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.968 0 C4'-C3'-C2' 99.22 -3.48 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.028 2 O4'-C1'-N19 112.902 4.702 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.906 1 O4'-C1'-N19 112.7 4.5 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 1 O4'-C1'-N19 112.204 4.004 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.923 0 C5'-C4'-C3' 109.941 -3.706 . 0.934 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 1 O4'-C1'-N19 112.643 4.443 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 1 C4'-C3'-C2' 98.59 -4.11 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C1'-N19 111.722 3.522 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -60.08 159.95 24.18 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.212 2.608 . . . . 0.0 113.823 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.43 -13.46 3.4 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 51.5 p -151.45 -75.86 0.14 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.331 1.052 . . . . 0.0 111.935 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 14.1 mt 63.0 -47.92 0.2 Allowed 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 130.273 3.429 . . . . 0.0 114.702 -173.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 79.4 p -66.44 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.616 3.166 . . . . 0.0 114.345 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -102.3 127.16 31.26 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 126.844 2.058 . . . . 0.0 109.562 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.48 -28.34 32.34 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 121.888 1.726 . . . . 0.0 112.585 -168.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -72.31 -39.86 67.92 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.811 0.444 . . . . 0.0 110.109 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.37 -49.6 47.5 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.34 -38.03 70.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.548 0.574 . . . . 0.0 112.548 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -65.03 -53.24 49.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.167 -0.958 . . . . 0.0 111.924 168.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -93.72 82.6 4.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.177 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.6 mm -45.46 -43.12 23.2 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -175.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.49 -40.58 78.21 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.498 2.132 . . . . 0.0 114.691 172.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.3 ttp -82.18 -26.61 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.594 -0.691 . . . . 0.0 111.677 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.607 -0.683 . . . . 0.0 110.173 166.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.39 -25.67 61.58 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.089 1.356 . . . . 0.0 114.265 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -55.96 -45.14 78.95 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 167.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 8.8 t -60.99 -10.62 6.1 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 173.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 71.2 mt -115.06 2.89 14.3 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.315 1.846 . . . . 0.0 114.026 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 56.89 21.79 6.48 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.66 12.03 19.66 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.551 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -61.59 10.79 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -83.88 -28.49 27.91 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -96.12 10.92 36.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.86 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 51.1 m -53.92 -34.72 60.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -81.93 -27.32 33.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.45 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.347 0.594 . . . . 0.0 110.439 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 58.9 mt -97.11 -9.14 28.57 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.354 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.1 t -68.37 170.17 9.36 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.556 0.693 . . . . 0.0 111.006 167.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 70.89 6.37 59.71 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.333 -0.854 . . . . 0.0 113.65 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 38.0 m -134.76 120.7 14.49 Favored Pre-proline 0 N--CA 1.471 0.593 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.78 158.12 58.01 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.388 2.059 . . . . 0.0 110.564 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.431 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 39.3 p-90 -62.14 -54.05 46.67 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.851 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.431 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.0 tp -34.3 -25.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 170.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -118.96 -28.9 5.43 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 483' ' ' LEU . 12.5 tp -49.27 -54.53 16.4 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.712 0.768 . . . . 0.0 110.232 175.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.575 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.32 37.0 pt -42.31 -35.26 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 173.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -84.59 9.5 13.53 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.0 OUTLIER -58.92 170.08 0.9 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.484 1.135 . . . . 0.0 111.956 169.5 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -132.73 164.86 25.84 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.46 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -57.82 -39.34 77.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.18 -43.97 69.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 38.1 m -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.016 -1.052 . . . . 0.0 110.447 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.2 mt -56.71 -53.63 55.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.945 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.92 -31.91 73.09 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 122.174 2.261 . . . . 0.0 113.709 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -77.76 -13.07 60.0 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.909 -1.119 . . . . 0.0 113.658 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -93.7 -15.87 24.82 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 121.85 12.91 5.24 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 114.222 0.449 . . . . 0.0 114.222 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 13.2 t -106.96 64.12 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 122.643 1.211 . . . . 0.0 108.888 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.37 -34.44 76.07 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.2 140.86 58.21 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.821 0.819 . . . . 0.0 110.861 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.8 -41.5 99.31 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.061 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.49 -62.66 5.37 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.84 -68.91 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 169.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -55.05 -45.62 75.27 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -62.2 -32.73 73.41 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.349 0.977 . . . . 0.0 112.473 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -25.58 60.51 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.584 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.91 -49.02 61.7 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 119.523 1.056 . . . . 0.0 109.137 168.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.91 -37.25 76.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.15 0.886 . . . . 0.0 113.142 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.49 -58.35 7.91 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.341 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.4 39.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.924 0.765 . . . . 0.0 112.001 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.575 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.9 m-30 -54.79 -52.07 63.78 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 129.924 3.29 . . . . 0.0 113.195 173.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.22 -29.16 72.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 119.865 -1.772 . . . . 0.0 112.021 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 22.7 mt -71.03 -71.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.519 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.5 m -41.86 -54.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 118.869 -1.133 . . . . 0.0 113.137 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.539 HG12 HD12 ' A' ' 481' ' ' ILE . 42.5 mt -38.05 -48.86 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 CA-C-N 119.069 0.85 . . . . 0.0 113.219 170.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -58.32 -55.47 34.6 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.283 0.989 . . . . 0.0 109.444 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -57.35 -29.16 63.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -31.13 58.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.199 0.6 . . . . 0.0 112.511 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.73 -23.0 29.48 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -81.03 -22.54 39.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 118.904 -0.569 . . . . 0.0 111.62 171.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 73.74 26.04 1.91 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.917 1.386 . . . . 0.0 112.53 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 mp -76.52 -5.96 49.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.465 172.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 9.5 mm -55.58 143.76 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.877 0.846 . . . . 0.0 110.528 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 521' ' ' SER . 9.1 m-20 -69.13 7.18 0.78 Allowed 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.277 18.3 mmt85 51.02 -0.39 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 119.123 3.008 . . . . 0.0 119.123 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 521' ' ' SER . . . . . 0.436 ' H ' ' C ' ' A' ' 519' ' ' ASP . 44.0 m -98.97 -11.62 21.39 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.905 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.28 62.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.253 1.289 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.453 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.13 0 C4'-C3'-C2' 99.499 -3.201 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.872 0 C4'-C3'-C2' 99.366 -3.334 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.884 1 C4'-C3'-C2' 98.466 -4.234 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.946 0 C4'-C3'-C2' 99.306 -3.394 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.882 0 C4'-C3'-C2' 99.064 -3.636 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.891 0 O4'-C1'-N19 112.192 3.992 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.851 0 O4'-C1'-N19 111.479 3.279 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.904 3.704 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C5'-C4'-C3' 110.793 -3.138 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.409 -1.958 2 C5'-C4'-C3' 108.488 -4.675 . 0.26 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.255 0 C3'-C2'-C1' 99.447 -2.281 . 0.095 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 1 O5'-C5'-C4' 116.16 4.257 . 0.451 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . 0.487 " H2'" " H3'" ' B' ' 537' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O5'-C5'-C4' 114.693 3.209 . 0.014 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . 0.487 " H3'" " H2'" ' B' ' 536' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.637 1 C3'-C2'-C1' 96.044 -6.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 98.985 -3.715 . 0.227 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 1.664 1 O4'-C1'-N19 112.399 4.199 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 2 O4'-C1'-N19 113.098 4.898 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 2 C4'-C3'-C2' 98.131 -4.569 . 0.732 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.948 2 O4'-C1'-N19 113.187 4.987 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 1 C4'-C3'-C2' 98.044 -4.656 . 0.646 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 2 O4'-C1'-N19 112.653 4.453 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.067 1 C4'-C3'-C2' 98.675 -4.025 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 111.6 3.4 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -52.67 -24.32 22.67 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 124.374 3.383 . . . . 0.0 116.605 174.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? 57.67 -85.96 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 128.548 2.739 . . . . 0.0 112.455 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 59.6 m -138.16 86.08 2.14 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.16 1.784 . . . . 0.0 109.484 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.56 -28.24 69.01 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.357 0.663 . . . . 0.0 111.962 172.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.5 p -65.99 16.42 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 131.304 3.842 . . . . 0.0 114.753 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.18 127.59 41.93 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.742 2.017 . . . . 0.0 109.696 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -65.25 -32.91 50.64 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 121.799 1.666 . . . . 0.0 113.567 -169.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -71.95 -40.28 68.79 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.153 0.283 . . . . 0.0 110.681 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -48.82 68.09 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 169.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 58.2 mt -58.04 -45.67 86.59 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -70.76 -20.97 62.57 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.494 -1.379 . . . . 0.0 114.654 172.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -120.84 81.97 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.677 0.672 . . . . 0.0 111.855 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.8 mm -47.28 -41.18 30.5 Favored Pre-proline 0 N--CA 1.486 1.367 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -174.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.0 -42.34 59.05 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.246 1.964 . . . . 0.0 114.306 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.4 ttp -82.53 -26.57 32.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.377 0.535 . . . . 0.0 111.593 -176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -58.52 -46.83 85.95 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.321 0.581 . . . . 0.0 110.637 166.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.49 -27.09 60.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.772 1.629 . . . . 0.0 114.002 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -53.53 -47.11 70.27 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 168.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 25.0 m -62.02 -5.08 1.93 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 48.5 mt -117.99 -3.04 11.17 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.089 1.756 . . . . 0.0 114.171 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 59.85 21.03 9.93 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 59.4 mt -104.22 8.64 36.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.063 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -63.24 18.35 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -81.61 -25.04 36.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 168.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.34 14.08 22.75 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.95 1.406 . . . . 0.0 111.058 -172.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 18.5 p -56.6 -38.8 72.54 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -74.35 -30.0 61.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 119.065 0.848 . . . . 0.0 113.208 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.02 -19.08 61.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.258 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.1 mt -111.87 -20.23 12.11 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.08 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.0 t -61.83 -19.52 62.65 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.51 -3.61 48.72 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 114.775 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 51.9 m -125.96 129.57 24.24 Favored Pre-proline 0 N--CA 1.476 0.843 0 CA-C-N 117.5 0.65 . . . . 0.0 109.502 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.78 158.03 54.01 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 111.222 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.411 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.47 -54.86 40.51 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.476 -172.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.53 -26.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 172.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -117.17 -31.8 5.21 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.218 0.463 . . . . 0.0 111.929 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.6 tp -45.51 -57.23 4.28 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.495 0.664 . . . . 0.0 110.822 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.569 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.31 41.3 pt -42.26 -33.98 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 175.287 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -84.64 7.59 19.77 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.59 171.01 0.34 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.499 1.142 . . . . 0.0 113.348 171.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -131.53 166.26 21.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.167 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.88 -42.32 84.37 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.47 -45.33 76.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.7 m -62.02 -38.55 89.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.661 -0.649 . . . . 0.0 111.215 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.94 -48.19 82.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.932 0.333 . . . . 0.0 110.913 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.54 -42.27 74.37 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.88 -0.512 . . . . 0.0 112.084 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -78.0 -14.89 59.36 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.093 -1.004 . . . . 0.0 113.684 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -92.74 -12.79 30.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.49 10.52 8.58 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.288 0.475 . . . . 0.0 114.288 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 8.2 t -107.13 62.64 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.24 -28.61 70.15 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -166.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -75.63 145.42 41.09 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.9 0.857 . . . . 0.0 113.098 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.94 -42.46 89.98 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.448 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.91 -63.49 4.9 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.499 -0.612 . . . . 0.0 111.729 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.48 -66.9 0.12 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -55.9 -44.12 77.93 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -173.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.84 -35.51 76.72 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.762 1.619 . . . . 0.0 112.704 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -68.32 -31.45 70.87 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.888 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.3 -49.19 74.98 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.923 0.783 . . . . 0.0 110.436 169.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.43 -36.71 74.05 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -61.48 -61.04 2.81 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.28 170.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.97 -48.89 42.84 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 122.111 0.958 . . . . 0.0 112.236 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.569 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.9 m-30 -54.81 -46.06 74.47 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 129.005 2.922 . . . . 0.0 113.409 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.23 77.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 119.824 -1.798 . . . . 0.0 111.847 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.16 -70.17 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.544 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.77 -56.26 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 C-N-CA 118.772 -1.171 . . . . 0.0 113.914 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.55 HG12 HD12 ' A' ' 481' ' ' ILE . 37.9 mt -38.87 -44.33 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 CA-C-N 119.459 1.027 . . . . 0.0 113.33 170.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.23 -53.01 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.002 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.13 -28.97 69.49 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -70.12 -40.11 75.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.492 0.587 . . . . 0.0 111.5 174.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.76 -13.57 61.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.714 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -98.08 -25.63 14.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.762 173.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 18.9 t70 75.2 25.68 1.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.599 1.187 . . . . 0.0 113.38 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.3 mp -81.83 -7.62 59.62 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.79 156.27 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 122.166 0.984 . . . . 0.0 110.722 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -84.3 143.96 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.379 1.085 . . . . 0.0 110.719 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -62.06 -17.83 58.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.508 -1.223 . . . . 0.0 113.966 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -77.19 -13.75 59.89 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.2 71.6 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.148 0.886 . . . . 0.0 111.878 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.252 1.199 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.178 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 99.135 -3.565 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 O4'-C1'-N19 111.247 3.047 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.137 0 C4'-C3'-C2' 99.549 -3.151 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.928 0 C5'-C4'-C3' 109.571 -3.953 . 0.622 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.004 0 C4'-C3'-C2' 99.721 -2.979 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.903 0 C4'-C3'-C2' 99.152 -3.548 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.991 0 C4'-C3'-C2' 98.731 -3.969 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 O4'-C1'-N19 111.969 3.769 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C5'-C4'-C3' 111.03 -2.98 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.405 -2.207 3 C5'-C4'-C3' 106.583 -5.945 . 0.469 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.273 0 O3'-P-O5' 100.009 -2.101 . 0.09 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 O5'-C5'-C4' 114.877 3.341 . 0.517 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.863 0 C4'-C3'-C2' 98.813 -3.887 . 0.702 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 2 C3'-C2'-C1' 106.626 5.695 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 2 P-O3'-C3' 129.42 8.1 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.898 0 O4'-C1'-N19 111.775 3.575 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.97 2 O4'-C1'-N19 113.101 4.901 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.984 2 O4'-C1'-N19 113.122 4.922 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 1 O4'-C1'-N19 112.868 4.668 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.858 0 C5'-C4'-C3' 109.902 -3.732 . 0.964 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.913 1 O4'-C1'-N19 112.868 4.668 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.982 0 O4'-C1'-N19 112.085 3.885 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 111.57 3.37 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.68 150.12 12.77 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 124.04 3.16 . . . . 0.0 114.267 173.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -151.57 -38.17 0.12 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.272 1.029 . . . . 0.0 113.757 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 60.2 p -64.18 -1.59 1.67 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.869 2.068 . . . . 0.0 115.257 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.56 -34.1 77.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.113 1.765 . . . . 0.0 112.531 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 81.3 p -66.19 32.38 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.929 2.892 . . . . 0.0 114.244 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -112.9 128.28 25.8 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 127.044 2.137 . . . . 0.0 109.86 -173.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.77 -25.17 24.23 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.8 1.667 . . . . 0.0 113.174 -169.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -74.12 -41.2 61.98 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.29 -50.24 54.95 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.458 0.473 . . . . 0.0 110.478 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.05 -44.15 82.7 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.278 0.49 . . . . 0.0 112.142 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -68.5 -26.59 65.54 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -119.52 83.59 2.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.415 0.626 . . . . 0.0 111.74 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 23.8 mm -48.06 -41.52 42.52 Favored Pre-proline 0 N--CA 1.488 1.456 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.61 -38.3 90.77 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.483 2.122 . . . . 0.0 114.519 172.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 28.0 ttp -80.34 -31.68 37.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.478 0.311 . . . . 0.0 111.805 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.243 0.544 . . . . 0.0 111.32 168.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.17 -23.5 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.186 1.394 . . . . 0.0 113.492 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -51.44 -49.82 60.94 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 169.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -63.78 -14.81 55.93 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.85 -3.3 32.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.35 1.46 . . . . 0.0 113.179 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 63.51 19.43 11.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.87 16.68 18.34 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.88 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -63.75 19.78 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -80.7 -35.57 33.39 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 166.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -95.21 12.19 29.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.563 -172.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 24.2 p -54.75 -37.36 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.14 -24.92 43.0 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.03 0.832 . . . . 0.0 112.377 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.41 -21.23 56.26 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 73.7 mt -108.35 -14.96 14.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.034 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 19.4 t -64.47 -16.23 62.11 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -73.39 2.66 36.43 Favored Glycine 0 CA--C 1.541 1.664 0 N-CA-C 114.892 0.717 . . . . 0.0 114.892 170.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 49.7 m -136.87 115.18 10.25 Favored Pre-proline 0 N--CA 1.473 0.704 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -62.57 155.01 61.03 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.127 1.884 . . . . 0.0 110.718 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -55.38 -50.38 69.87 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.051 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.3 tp -35.38 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -117.22 -28.97 6.03 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.827 0.705 . . . . 0.0 111.743 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.43 -57.14 8.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.67 0.748 . . . . 0.0 109.764 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.579 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 33.2 pt -42.24 -34.93 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 172.338 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.434 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.2 m-30 -78.83 1.92 21.72 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.111 -1.618 . . . . 0.0 114.993 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.94 169.84 1.78 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 122.686 1.231 . . . . 0.0 113.314 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.03 172.22 13.08 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.029 175.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.91 -39.49 85.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.61 -44.63 64.08 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 96.8 m -62.28 -38.91 91.16 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.979 -1.076 . . . . 0.0 110.344 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.3 mt -56.65 -54.09 50.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.34 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.08 -28.36 70.03 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 121.832 2.106 . . . . 0.0 114.302 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.38 -14.55 58.24 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.985 -1.072 . . . . 0.0 113.531 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -92.65 -10.98 35.37 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.63 11.82 10.06 Favored Glycine 0 N--CA 1.477 1.388 0 CA-C-O 119.922 -0.377 . . . . 0.0 113.946 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.51 64.6 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 122.659 1.219 . . . . 0.0 108.294 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -35.94 81.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.534 -1.212 . . . . 0.0 114.255 -168.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.98 145.1 54.84 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.135 0.969 . . . . 0.0 112.031 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.54 -43.06 99.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.002 169.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.8 -64.63 4.03 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.29 -69.86 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 167.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -55.52 -45.66 77.09 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -59.83 -37.47 79.29 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.236 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.73 -29.86 67.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.082 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.99 -48.5 71.0 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.279 0.945 . . . . 0.0 110.16 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 67.5 mt -58.11 -38.19 75.99 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.27 0.941 . . . . 0.0 112.882 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -61.85 -59.11 5.63 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.033 170.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.57 -51.05 29.67 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 124.158 0.911 . . . . 0.0 112.674 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.579 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 18.0 m-30 -54.58 -47.56 73.14 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 129.444 3.098 . . . . 0.0 113.682 173.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -29.89 76.54 Favored Glycine 0 CA--C 1.526 0.753 0 O-C-N 119.985 -1.697 . . . . 0.0 111.816 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.2 mt -69.99 -70.92 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -42.44 -55.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.419 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.546 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.9 mt -39.42 -45.26 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-N 119.946 1.248 . . . . 0.0 113.039 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.33 -52.7 64.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.936 -176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.64 -31.75 70.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -66.51 -42.09 87.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.561 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.68 -10.04 59.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -102.19 -22.47 14.18 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.643 -0.694 . . . . 0.0 112.415 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.9 t0 77.42 23.16 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.708 1.255 . . . . 0.0 112.9 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.3 mp -77.07 -6.43 52.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.41 139.54 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.696 0.76 . . . . 0.0 110.496 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -73.0 145.98 46.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.68 1.228 . . . . 0.0 109.898 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -64.16 -10.86 25.49 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.855 -1.52 . . . . 0.0 113.613 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 31.9 m -89.42 -12.92 38.87 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.48 72.63 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.582 1.083 . . . . 0.0 111.808 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.252 1.213 0 CA-C-N 115.008 -0.996 . . . . 0.0 113.185 -179.008 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.122 0 C4'-C3'-C2' 99.484 -3.216 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.943 0 O4'-C1'-N19 111.372 3.172 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.037 0 C5'-C4'-O4' 113.885 3.346 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.939 1 C5'-C4'-C3' 109.459 -4.028 . 0.629 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 C5'-C4'-O4' 113.171 2.836 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.892 1 C5'-C4'-C3' 109.318 -4.121 . 0.756 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.79 1 C4'-C3'-C2' 98.681 -4.019 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 1 O4'-C1'-N19 112.227 4.027 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.15 1 C4'-C3'-C2' 98.552 -4.148 . 0.869 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.404 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.435 2 O5'-C5'-C4' 117.369 5.12 . 0.712 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.404 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.402 -2.371 0 P-O3'-C3' 122.549 2.374 . 0.131 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.755 0 O5'-C5'-C4' 115.536 3.812 . 0.541 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 0 C5'-C4'-C3' 111.091 -2.94 . 0.403 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 3 C3'-C2'-C1' 107.011 6.124 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 2 P-O3'-C3' 128.539 7.366 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.766 0 C4'-C3'-C2' 99.362 -3.338 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 2 O4'-C1'-N19 113.366 5.166 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 2 C4'-C3'-C2' 98.019 -4.681 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.851 1 O4'-C1'-N19 113.762 5.562 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 1 O4'-C1'-N19 112.264 4.064 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.972 2 O4'-C1'-N19 112.543 4.343 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 1 C4'-C3'-C2' 98.693 -4.007 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 111.92 3.72 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -55.67 113.22 1.32 Allowed 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.176 3.251 . . . . 0.0 113.915 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -128.05 -3.98 5.69 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.962 1.705 . . . . 0.0 114.617 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 44.4 m -124.13 14.44 9.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.105 1.762 . . . . 0.0 113.251 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.97 -41.37 97.57 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.535 -1.353 . . . . 0.0 112.247 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 52.0 p -68.43 17.03 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 130.151 3.38 . . . . 0.0 115.522 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -98.61 131.69 25.41 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 126.582 1.953 . . . . 0.0 110.188 -170.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.57 -26.17 28.72 Favored 'Trans proline' 0 C--N 1.347 0.471 0 CA-C-N 121.455 1.555 . . . . 0.0 113.075 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.03 -41.38 61.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.7 mp -69.19 -51.71 35.22 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.5 0.5 . . . . 0.0 110.773 171.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.16 -43.75 74.53 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -67.34 -36.05 80.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 172.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -108.19 85.82 2.18 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 37.2 mm -47.92 -43.35 53.58 Favored Pre-proline 0 N--CA 1.488 1.429 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.63 -43.11 52.8 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.41 2.073 . . . . 0.0 113.933 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.3 ttp -80.66 -27.99 36.96 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.381 0.537 . . . . 0.0 111.704 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -57.86 -48.83 78.65 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.733 -0.604 . . . . 0.0 110.381 166.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.26 -28.33 63.07 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.036 1.334 . . . . 0.0 113.771 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -52.81 -42.88 65.51 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.6 t -57.62 -25.03 59.52 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 88.4 mt -95.72 -6.49 39.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.422 1.489 . . . . 0.0 113.961 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.256 87.8 mmt-85 60.26 21.17 10.59 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -169.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.9 mt -102.76 13.14 35.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.137 174.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -58.13 8.08 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -74.09 -34.91 64.13 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.903 0.859 . . . . 0.0 109.087 167.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -95.24 13.21 26.27 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.153 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.2 p -58.99 -31.53 68.87 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -80.83 -27.11 36.61 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.303 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.0 68.18 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.599 0.714 . . . . 0.0 110.225 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 71.2 mt -95.75 -12.0 26.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.27 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 27.1 t -66.31 166.62 11.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.588 0.709 . . . . 0.0 111.018 167.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 73.85 2.19 60.73 Favored Glycine 0 CA--C 1.539 1.582 0 O-C-N 121.293 -0.879 . . . . 0.0 113.897 -169.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 34.1 m -130.69 120.98 18.89 Favored Pre-proline 0 N--CA 1.475 0.792 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.56 159.88 51.33 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.615 2.21 . . . . 0.0 110.865 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.4 p-90 -61.68 -54.91 36.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.329 -172.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 2.8 tp -33.88 -25.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -30.85 6.03 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 483' ' ' LEU . 9.8 tp -49.28 -54.66 15.8 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 121.42 0.628 . . . . 0.0 110.111 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.55 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.317 39.2 pt -43.3 -35.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 173.753 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.51 10.25 11.41 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 480' ' ' LEU . 0.8 OUTLIER -59.3 170.73 0.89 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.318 1.056 . . . . 0.0 112.605 170.481 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -131.67 167.47 19.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.709 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -58.56 -41.9 86.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.86 -41.33 71.55 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 30.2 m -61.13 -42.5 98.65 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.056 -1.027 . . . . 0.0 110.625 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.76 -54.93 38.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.711 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.2 -31.11 71.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.592 1.997 . . . . 0.0 114.235 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -77.67 -19.69 54.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -85.59 -18.31 33.68 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 124.8 10.89 4.63 Favored Glycine 0 N--CA 1.472 1.1 0 N-CA-C 114.33 0.492 . . . . 0.0 114.33 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.22 67.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 122.415 1.103 . . . . 0.0 109.052 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -30.51 63.85 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -169.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.05 137.83 49.31 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.323 0.965 . . . . 0.0 111.887 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.93 -42.75 98.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.689 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.47 -67.14 2.37 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.54 -66.04 0.16 Allowed 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.903 1.002 . . . . 0.0 113.306 166.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -47.05 -56.81 5.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -60.71 -35.67 76.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.234 0.925 . . . . 0.0 112.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -69.73 -29.65 67.09 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 118.167 -0.92 . . . . 0.0 112.223 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.81 -49.13 74.07 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 119.509 1.05 . . . . 0.0 109.735 168.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.5 mt -58.63 -38.22 77.59 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.084 0.856 . . . . 0.0 113.02 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -60.93 -59.54 5.22 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.844 169.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.68 -51.23 29.56 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.019 0.824 . . . . 0.0 112.412 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.55 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.3 m-30 -53.17 -48.66 67.81 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 129.693 3.197 . . . . 0.0 113.338 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.15 -30.62 78.3 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 119.986 -1.696 . . . . 0.0 111.913 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 14.9 mt -69.28 -71.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.525 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.3 m -42.08 -55.94 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 119.063 -1.055 . . . . 0.0 113.639 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.547 HG12 HD12 ' A' ' 481' ' ' ILE . 42.0 mt -38.97 -46.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 CA-C-N 119.763 1.165 . . . . 0.0 113.312 170.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.55 -54.97 40.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.5 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -58.75 -27.5 65.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.48 -43.49 69.65 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.549 0.69 . . . . 0.0 110.947 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.92 -13.15 61.57 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.938 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -99.12 -22.84 15.48 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.854 -0.593 . . . . 0.0 112.387 171.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.5 t0 68.71 30.82 4.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.06 -8.22 59.72 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 173.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.01 155.64 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 122.248 1.023 . . . . 0.0 109.592 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -81.06 128.43 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.616 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -61.13 -11.05 7.47 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 38.9 m -70.89 -14.85 62.54 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.31 -25.63 66.12 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--O 1.253 1.255 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.74 -169.879 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 C4'-C3'-C2' 99.321 -3.379 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.884 0 C4'-C3'-C2' 99.423 -3.277 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.09 0 C5'-C4'-O4' 113.999 3.428 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.919 1 C5'-C4'-C3' 108.597 -4.602 . 0.697 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C5'-C4'-O4' 113.332 2.952 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.001 0 C5'-C4'-C3' 109.678 -3.882 . 0.902 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.916 0 C4'-C3'-C2' 99.224 -3.476 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 1 O4'-C1'-N19 112.222 4.022 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 1 C4'-C3'-C2' 97.877 -4.823 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.422 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.549 3.002 2 O4'-C1'-N19 113.78 5.58 . 0.544 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.422 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.624 0 O5'-C5'-C4' 115.401 3.715 . 0.112 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.886 1 O5'-C5'-C4' 116.018 4.156 . 0.6 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.119 0 C4'-C3'-C2' 99.313 -3.387 . 0.133 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 2 C4'-C3'-C2' 97.981 -4.719 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.668 1 P-O3'-C3' 126.391 5.576 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.88 0 O4'-C1'-N19 111.61 3.41 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 2 O4'-C1'-N19 113.229 5.029 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.916 2 O4'-C1'-N19 112.787 4.587 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 2 O4'-C1'-N19 113.319 5.119 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 C4'-C3'-C2' 98.384 -4.316 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.952 2 O4'-C1'-N19 112.602 4.402 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.987 1 C4'-C3'-C2' 98.659 -4.041 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.661 3.461 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 63.1 ttp . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.58 108.24 0.23 Allowed 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 124.15 3.233 . . . . 0.0 113.403 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -63.68 -54.71 31.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.485 1.114 . . . . 0.0 111.913 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 59.1 m -146.95 153.8 40.51 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.435 2.294 . . . . 0.0 109.552 170.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 46.3 mt -139.01 -43.15 0.47 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.308 1.443 . . . . 0.0 111.47 178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 48.0 p -66.02 17.04 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 130.163 3.385 . . . . 0.0 114.148 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.8 125.54 52.93 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 126.685 1.994 . . . . 0.0 110.02 -169.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 17.9 Cg_endo -61.21 -31.64 89.96 Favored 'Trans proline' 0 CA--C 1.516 -0.388 0 C-N-CA 122.403 2.069 . . . . 0.0 114.679 -171.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -81.37 -29.78 33.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.342 -173.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -47.17 26.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.451 0.3 . . . . 0.0 110.518 167.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.81 -41.12 77.23 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.812 -0.555 . . . . 0.0 111.841 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.64 -49.67 67.8 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.098 -1.001 . . . . 0.0 112.712 169.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -100.78 84.67 2.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.269 0.557 . . . . 0.0 111.498 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.8 mm -47.59 -42.48 43.93 Favored Pre-proline 0 N--CA 1.483 1.22 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 469' ' ' SER . 76.2 Cg_exo -49.78 -39.81 47.98 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.287 2.658 . . . . 0.0 115.612 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 23.6 ttp -83.16 -25.97 31.35 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -62.2 -48.32 80.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 169.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -28.22 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -53.51 -41.29 66.16 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 55.8 m -69.76 -4.18 18.74 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.26 -7.85 12.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.989 1.715 . . . . 0.0 114.48 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 64.67 19.87 11.96 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 84.8 mt -111.93 18.6 18.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.558 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -66.78 20.84 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -93.1 -29.78 15.6 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -106.28 3.7 27.94 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.492 -175.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 457' ' ' PRO . 44.1 p -56.86 -27.18 60.0 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.95 -32.07 45.31 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.14 0.495 . . . . 0.0 111.989 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -71.19 -17.51 62.52 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.312 173.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.1 mt -106.98 -15.8 14.61 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.025 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.0 t -64.22 -22.57 66.99 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -67.81 0.69 9.6 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.5 m -133.97 128.02 19.48 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 117.896 0.848 . . . . 0.0 108.978 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.99 160.75 48.37 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.14 1.893 . . . . 0.0 111.127 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.405 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -60.86 -55.27 35.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.894 -170.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.0 tp -35.11 -27.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -110.94 -33.41 6.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.883 0.473 . . . . 0.0 112.253 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.5 tp -49.58 -56.64 9.23 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.201 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.56 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.313 38.2 pt -41.96 -37.38 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 172.503 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.437 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.4 m-30 -76.7 -1.16 26.47 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.56 170.07 1.15 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.292 1.044 . . . . 0.0 113.407 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -129.4 167.94 17.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.765 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.93 -39.64 90.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.17 -48.05 80.05 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 122.418 -0.176 . . . . 0.0 111.016 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 9.1 m -62.11 -36.01 80.47 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.19 74.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.331 0.969 . . . . 0.0 110.9 171.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -55.47 -38.42 69.06 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 174.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.76 -10.29 58.22 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -98.09 -10.51 24.14 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.79 12.44 9.39 Favored Glycine 0 N--CA 1.477 1.376 0 O-C-N 123.264 0.352 . . . . 0.0 113.744 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.36 61.38 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -31.96 73.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.276 -1.329 . . . . 0.0 114.544 -167.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.04 145.89 47.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.313 0.577 . . . . 0.0 112.48 -175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.2 tp -61.76 -45.8 92.36 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.272 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.08 -65.81 3.26 Favored Glycine 0 C--N 1.338 0.69 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.77 -68.0 0.12 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -59.12 -44.9 92.03 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -60.45 -34.96 74.75 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.232 0.924 . . . . 0.0 112.826 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -70.47 -30.53 67.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.784 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.07 -49.35 74.86 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.113 0.87 . . . . 0.0 110.204 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.67 -37.3 75.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.022 0.828 . . . . 0.0 113.171 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -62.11 -58.73 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.387 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.01 -48.48 43.6 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 124.268 0.98 . . . . 0.0 112.28 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.56 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.3 m-30 -57.34 -47.51 81.38 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 129.813 3.245 . . . . 0.0 113.857 174.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.31 74.8 Favored Glycine 0 CA--C 1.526 0.741 0 O-C-N 119.751 -1.843 . . . . 0.0 111.632 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.4 mt -69.79 -71.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.541 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.6 m -41.47 -56.57 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.813 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.541 ' H ' HG23 ' A' ' 509' ' ' VAL . 37.2 mt -39.57 -46.24 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 120.033 1.288 . . . . 0.0 113.044 170.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.75 -54.46 46.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.5 -27.68 66.36 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 478' ' ' ILE . 56.6 tttm -70.27 -43.89 69.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.469 0.652 . . . . 0.0 110.853 173.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.58 -12.0 61.29 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.301 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -103.45 -21.39 13.8 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.634 173.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.78 24.7 2.09 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.389 1.055 . . . . 0.0 113.599 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.94 -12.47 60.03 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.4 152.83 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.441 1.115 . . . . 0.0 110.344 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.31 142.63 39.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.239 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.46 -19.19 61.73 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.277 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 73.5 m -81.37 -12.08 59.1 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -68.96 -34.51 75.46 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.182 0.901 . . . . 0.0 111.754 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.253 1.285 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.67 -176.243 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.196 0 C4'-C3'-C2' 99.513 -3.187 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.868 0 O4'-C1'-N19 111.671 3.471 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.969 1 O4'-C1'-N19 112.273 4.073 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.06 0 C5'-C4'-O4' 114.427 3.734 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C5'-C4'-O4' 113.73 3.236 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.882 1 C5'-C4'-C3' 109.215 -4.19 . 0.806 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.801 0 C4'-C3'-C2' 99.221 -3.479 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 112.042 3.842 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C4'-C3'-C2' 98.023 -4.677 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.438 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.539 2 O5'-C5'-C4' 116.996 4.854 . 0.718 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.438 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.405 -2.191 0 P-O3'-C3' 122.557 2.381 . 0.134 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 0 O5'-C5'-C4' 115.061 3.472 . 0.647 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.02 0 C5'-C4'-C3' 111.443 -2.705 . 0.413 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 2 C4'-C3'-C2' 97.999 -4.701 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 P-O3'-C3' 127.23 6.275 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.777 0 O4'-C1'-N19 111.535 3.335 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 1 O4'-C1'-N19 112.626 4.426 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.887 2 O4'-C1'-N19 113.13 4.93 . 0.779 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 O4'-C1'-N19 112.285 4.085 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.882 0 C5'-C4'-C3' 109.515 -3.99 . 0.925 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 2 C4'-C3'-C2' 98.435 -4.265 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 1 C4'-C3'-C2' 98.53 -4.17 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 O4'-C1'-N19 111.743 3.543 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 118.759 -0.638 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.81 171.52 12.08 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.909 2.406 . . . . 0.0 112.92 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -67.49 -171.71 0.2 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.778 1.231 . . . . 0.0 108.561 166.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 16.2 m -59.41 -17.5 31.13 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.037 -1.664 . . . . 0.0 113.734 169.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 38.7 mt 62.37 -27.48 0.06 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 130.459 3.503 . . . . 0.0 115.169 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' THR . . . . . 0.471 HG21 ' CG ' ' A' ' 512' ' ' TYR . 70.6 p -70.89 16.86 0.08 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 131.202 3.801 . . . . 0.0 114.08 172.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -93.25 128.34 43.22 Favored Pre-proline 0 CA--C 1.536 0.419 0 C-N-CA 127.244 2.218 . . . . 0.0 109.591 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.99 -24.95 23.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 121.663 1.575 . . . . 0.0 113.334 -169.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -73.52 -39.53 64.72 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -50.55 22.48 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.074 171.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.28 -38.57 74.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -64.5 -54.07 38.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.163 -0.961 . . . . 0.0 111.868 168.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -95.8 83.66 3.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.223 0.535 . . . . 0.0 112.003 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.4 mm -47.71 -41.8 40.4 Favored Pre-proline 0 N--CA 1.487 1.392 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -174.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.89 -42.97 55.02 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.531 2.154 . . . . 0.0 114.026 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.5 ttp -79.96 -26.07 40.17 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.684 -0.635 . . . . 0.0 111.955 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.63 -47.98 83.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.309 0.576 . . . . 0.0 110.584 166.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.03 -28.01 62.09 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.264 1.426 . . . . 0.0 113.897 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -52.8 -46.45 67.67 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 48.7 m -61.34 -21.27 63.86 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.1 mt -92.68 -8.6 43.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.242 1.417 . . . . 0.0 113.24 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.262 88.4 mmt-85 62.71 18.12 10.35 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 80.2 mt -101.25 15.08 29.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.265 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -62.28 16.79 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -77.31 -24.66 50.84 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.463 1.125 . . . . 0.0 109.761 168.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.85 11.68 27.89 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.089 -1.869 . . . . 0.0 112.989 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.5 m -52.29 -40.69 62.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.38 -26.49 41.98 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.91 58.54 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.158 0.504 . . . . 0.0 111.325 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.37 -14.5 14.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.217 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 46.6 t -62.64 -20.91 65.27 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.11 2.13 20.91 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.0 m -136.11 116.87 11.43 Favored Pre-proline 0 N--CA 1.474 0.731 0 CA-C-N 118.037 0.919 . . . . 0.0 108.786 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -61.83 153.66 66.43 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.059 1.84 . . . . 0.0 110.67 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -54.33 -50.27 67.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.081 -173.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.6 tp -35.67 -27.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -117.05 -29.75 5.87 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.694 0.621 . . . . 0.0 111.335 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.44 -56.99 7.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.805 0.691 . . . . 0.0 110.214 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.58 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.319 38.4 pt -42.94 -33.69 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 173.373 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -83.62 6.48 20.63 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.84 168.96 2.77 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 122.324 1.059 . . . . 0.0 112.604 172.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -132.87 169.35 16.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.22 -51.73 61.21 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.283 1.039 . . . . 0.0 112.585 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.87 -43.72 92.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.04 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.8 m -64.42 -38.67 91.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.46 -48.17 82.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.428 0.558 . . . . 0.0 110.855 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.03 -41.37 71.26 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.995 -0.441 . . . . 0.0 111.991 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.7 -15.62 58.25 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -91.21 -10.37 41.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 113.18 13.15 11.11 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.631 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.4 t -104.4 65.47 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -29.35 64.17 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -167.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.51 139.86 51.7 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.938 0.79 . . . . 0.0 111.782 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.94 -48.33 81.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.368 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.25 -65.36 3.6 Favored Glycine 0 C--N 1.339 0.745 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.91 -70.1 0.08 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -47.02 -52.81 13.95 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -57.08 -39.6 75.31 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.812 0.733 . . . . 0.0 111.847 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -73.44 -24.54 60.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 117.849 -1.072 . . . . 0.0 113.124 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.14 -48.32 76.5 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.749 1.159 . . . . 0.0 108.843 168.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.4 mt -57.37 -38.75 74.71 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -61.38 -60.67 3.37 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.034 170.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.06 -47.36 44.97 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.098 0.874 . . . . 0.0 112.812 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.58 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -57.96 -49.43 76.82 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 129.333 3.053 . . . . 0.0 113.604 174.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.02 -29.34 74.6 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 120.247 -1.533 . . . . 0.0 111.436 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.88 -72.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.535 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.3 m -41.85 -56.27 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 117.802 -1.094 . . . . 0.0 113.923 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.558 HG12 HD12 ' A' ' 481' ' ' ILE . 49.5 mt -39.17 -45.82 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 119.926 1.239 . . . . 0.0 112.88 170.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.23 -50.29 74.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.983 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' TYR . . . . . 0.471 ' CG ' HG21 ' A' ' 448' ' ' THR . 7.0 m-85 -64.47 -30.23 71.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 171.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -68.33 -39.64 81.86 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.833 0.742 . . . . 0.0 110.634 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.57 -5.95 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.744 -1.117 . . . . 0.0 112.699 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.07 -24.22 10.02 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.616 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 15.9 t70 83.46 17.21 0.26 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 124.938 1.399 . . . . 0.0 112.632 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.5 mp -76.72 -5.23 47.16 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.634 -0.666 . . . . 0.0 112.546 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.1 mm -64.36 144.26 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 0.0 110.015 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.22 145.03 44.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 122.754 1.264 . . . . 0.0 109.892 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -66.84 -11.19 54.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.274 -1.33 . . . . 0.0 114.396 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.6 m -86.18 -14.2 44.72 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.51 88.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.712 0.687 . . . . 0.0 111.463 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.172 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 0 C4'-C3'-C2' 99.503 -3.197 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 0 C4'-C3'-C2' 99.426 -3.274 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 C5'-C4'-O4' 114.008 3.435 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.919 0 C5'-C4'-C3' 109.749 -3.834 . 0.675 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.885 0 C4'-C3'-C2' 99.659 -3.041 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 C4'-C3'-C2' 99.223 -3.477 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.843 0 C4'-C3'-C2' 99.308 -3.392 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O4'-C1'-N19 111.895 3.695 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.927 1 C4'-C3'-C2' 98.167 -4.533 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.455 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.577 2 O5'-C5'-C4' 116.967 4.833 . 0.684 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.455 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.362 0 P-O3'-C3' 123.185 2.904 . 0.119 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.625 0 O5'-C5'-C4' 115.702 3.93 . 0.526 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.895 0 C5'-C4'-C3' 110.511 -3.326 . 0.486 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 2 C3'-C2'-C1' 106.78 5.867 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 2 P-O3'-C3' 129.088 7.823 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.829 0 C5'-C4'-O4' 114.088 3.491 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 1 O4'-C1'-N19 112.477 4.277 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.873 2 O4'-C1'-N19 112.717 4.517 . 0.76 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.95 2 O4'-C1'-N19 113.218 5.018 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 1 C4'-C3'-C2' 98.452 -4.248 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 2 O4'-C1'-N19 112.531 4.331 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 98.773 -3.927 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.782 3.582 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.27 161.39 7.13 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.782 2.988 . . . . 0.0 114.08 172.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -133.59 -44.35 0.82 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.214 1.406 . . . . 0.0 112.827 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 25.4 m -144.04 72.2 1.34 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.614 1.566 . . . . 0.0 110.43 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.07 -28.48 66.56 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.163 -0.96 . . . . 0.0 111.414 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.0 p -69.95 14.39 0.11 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 130.909 3.683 . . . . 0.0 114.464 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -90.94 129.19 45.04 Favored Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 126.276 1.83 . . . . 0.0 109.727 -169.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' PRO . . . . . 0.449 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 55.5 Cg_endo -69.11 -25.53 31.52 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 121.732 1.621 . . . . 0.0 113.284 -169.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -75.0 -43.48 53.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.782 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.9 mp -67.99 -47.93 67.16 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.379 0.424 . . . . 0.0 110.715 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.11 -44.05 87.5 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.51 0.596 . . . . 0.0 111.676 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -66.93 -28.43 68.29 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.581 -1.325 . . . . 0.0 114.506 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -117.87 82.38 1.82 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 0.0 112.052 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 18.6 mm -48.4 -41.49 46.5 Favored Pre-proline 0 N--CA 1.488 1.44 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.85 -38.61 85.76 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.699 2.266 . . . . 0.0 114.284 172.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.6 ttp -81.94 -30.82 31.57 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.092 -0.38 . . . . 0.0 111.854 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -58.39 -51.57 69.26 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.218 0.532 . . . . 0.0 111.13 168.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.39 -24.12 64.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.889 1.676 . . . . 0.0 113.487 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -50.79 -45.01 59.03 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.0 m -67.17 -16.66 64.44 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 87.4 mt -94.52 -8.39 38.47 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.862 1.265 . . . . 0.0 113.458 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 62.37 20.45 11.85 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.2 mt -109.06 16.71 22.35 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.435 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -65.54 20.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -86.42 -29.1 23.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 168.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -92.77 10.76 29.48 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.671 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 67.0 m -49.63 -39.86 37.35 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.18 -24.75 47.05 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.281 0.946 . . . . 0.0 112.789 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.63 -19.32 57.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.1 0.476 . . . . 0.0 110.925 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' LEU . . . . . 0.476 HD23 ' HE3' ' A' ' 491' ' ' LYS . 73.6 mt -111.57 -18.41 12.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.987 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.7 t -67.6 -14.46 62.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 173.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -75.22 -1.48 64.18 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 114.949 0.74 . . . . 0.0 114.949 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.6 m -131.48 131.66 23.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 117.979 0.89 . . . . 0.0 109.241 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.11 157.78 56.71 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.129 1.886 . . . . 0.0 111.338 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.424 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.9 p-90 -60.55 -55.08 37.64 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.622 -172.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -34.18 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 172.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -117.08 -30.05 5.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.83 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.413 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.4 tp -46.43 -56.74 5.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 121.59 0.71 . . . . 0.0 110.557 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.553 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 42.2 pt -42.61 -34.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 175.142 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -85.08 4.34 34.6 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.5 mm? -58.95 168.25 1.35 Allowed 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 122.109 0.957 . . . . 0.0 112.469 171.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -127.71 165.5 19.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.865 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -52.48 -48.37 65.95 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.023 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.67 -44.39 90.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.021 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 10.4 m -63.74 -39.14 93.55 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.715 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -49.41 77.07 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 117.916 0.326 . . . . 0.0 111.252 173.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -42.27 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.286 0.494 . . . . 0.0 111.313 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.99 -9.94 59.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' LYS . . . . . 0.476 ' HE3' HD23 ' A' ' 472' ' ' LEU . 17.3 ttpt -95.74 -6.57 39.46 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 110.02 16.29 10.77 Favored Glycine 0 N--CA 1.473 1.161 0 O-C-N 123.094 0.246 . . . . 0.0 113.33 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 9.5 t -112.76 60.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.414 HD22 ' H ' ' A' ' 494' ' ' LEU . 0.8 OUTLIER -63.88 -31.85 73.17 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.99 -1.459 . . . . 0.0 114.206 -167.097 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.08 140.33 47.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.27 -47.64 82.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.183 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.77 -65.43 3.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.03 -66.87 0.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 169.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -63.11 -36.36 83.34 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.24 -40.04 92.56 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.65 1.114 . . . . 0.0 111.563 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -67.34 -28.69 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.86 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.13 -46.5 80.69 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.408 169.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.4 mt -57.28 -37.17 71.98 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.541 1.064 . . . . 0.0 113.28 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.2 -59.24 5.33 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.659 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.92 -47.96 51.98 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.603 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.553 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.21 -45.68 83.6 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 129.335 3.054 . . . . 0.0 113.139 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.14 -29.68 75.42 Favored Glycine 0 CA--C 1.526 0.757 0 O-C-N 119.876 -1.765 . . . . 0.0 111.825 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.78 -69.83 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.572 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.9 m -41.52 -56.82 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 C-N-CA 119.004 -1.078 . . . . 0.0 113.708 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.572 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.9 mt -39.28 -45.27 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 CA-C-N 119.684 1.129 . . . . 0.0 113.322 170.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.34 -51.06 71.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.909 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -62.66 -31.34 72.2 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 171.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -69.85 -37.97 76.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.909 0.777 . . . . 0.0 111.189 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -69.97 -11.13 60.64 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.159 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -102.34 -22.36 14.13 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.114 173.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 20.1 t70 78.83 20.74 0.76 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 124.843 1.339 . . . . 0.0 113.178 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.7 mp -78.2 -3.92 45.07 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.3 mm -64.25 142.47 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.513 0.673 . . . . 0.0 110.466 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.6 145.9 40.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.498 1.142 . . . . 0.0 109.757 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -64.19 -15.92 60.9 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.474 -1.239 . . . . 0.0 114.208 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -78.38 -15.78 58.33 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -69.03 -27.57 65.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.419 1.009 . . . . 0.0 112.545 175.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.695 -174.54 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.391 -3.309 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.897 0 C4'-C3'-C2' 99.117 -3.583 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.989 0 C5'-C4'-O4' 114.33 3.665 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.895 1 C5'-C4'-C3' 109.365 -4.09 . 0.646 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.812 0 C4'-C3'-C2' 99.463 -3.237 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 0 O4'-C1'-N19 111.834 3.634 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.009 0 C4'-C3'-C2' 99.364 -3.336 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.897 3.697 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . 0.449 " H2'" ' C6 ' ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.091 1 C4'-C3'-C2' 98.342 -4.358 . 0.835 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.449 ' C6 ' " H2'" ' B' ' 532' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.743 1 O4'-C1'-N19 112.639 4.439 . 0.649 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.416 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.402 -2.359 0 P-O3'-C3' 122.44 2.283 . 0.114 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.628 0 O5'-C5'-C4' 114.851 3.322 . 0.579 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.363 0 C5'-C4'-C3' 110.986 -3.009 . 0.087 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C4'-C3'-C2' 99.64 -3.06 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 0 C5'-C4'-C3' 112.11 -2.26 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 1.643 0 C4'-C3'-C2' 99.271 -3.429 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 1 O4'-C1'-N19 113.308 5.108 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.996 2 C4'-C3'-C2' 98.208 -4.492 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 2 O4'-C1'-N19 113.248 5.048 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 1 C4'-C3'-C2' 98.296 -4.404 . 0.622 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 2 O4'-C1'-N19 112.72 4.52 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.816 -3.884 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.329 -3.371 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.32 151.19 83.9 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.932 2.422 . . . . 0.0 111.772 173.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -153.31 -42.83 0.1 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.73 1.212 . . . . 0.0 112.234 173.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 15.6 m -60.73 5.63 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.481 2.312 . . . . 0.0 115.273 174.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.06 -40.18 84.35 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.28 1.432 . . . . 0.0 111.806 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.2 p -67.73 20.37 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.959 3.304 . . . . 0.0 114.849 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -108.96 128.59 25.19 Favored Pre-proline 0 N--CA 1.47 0.535 0 C-N-CA 125.718 1.607 . . . . 0.0 110.083 -168.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' PRO . . . . . 0.506 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 57.8 Cg_endo -70.59 -24.65 25.62 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.926 1.75 . . . . 0.0 113.376 -168.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.61 -39.07 62.39 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.728 0.411 . . . . 0.0 110.249 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.83 -48.46 58.9 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 170.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.99 -35.69 71.56 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -63.12 -53.81 47.64 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.93 -1.106 . . . . 0.0 111.799 168.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -96.82 85.11 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 27.1 mm -48.1 -41.63 43.77 Favored Pre-proline 0 N--CA 1.49 1.555 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.06 -34.9 98.58 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.257 2.638 . . . . 0.0 114.777 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.2 ttp -80.4 -31.9 37.62 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.725 -0.609 . . . . 0.0 111.48 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.57 -52.65 64.54 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.036 0.446 . . . . 0.0 111.597 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.0 -20.62 65.03 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.476 1.51 . . . . 0.0 113.934 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -50.73 34.89 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 4.9 t -60.78 4.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.0 mt -129.19 -15.05 4.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.256 2.222 . . . . 0.0 112.04 -174.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.33 1.3 mpp_? 62.99 23.98 14.31 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.084 1.421 . . . . 0.0 114.265 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.48 10.84 38.66 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.718 -2.492 . . . . 0.0 109.242 167.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -64.32 13.58 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -82.03 -34.35 29.56 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 166.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -90.97 13.15 17.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.787 -173.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 54.8 m -47.97 -39.28 18.95 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.343 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -77.11 -25.32 52.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.23 1.377 . . . . 0.0 112.997 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.93 58.44 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.619 0.724 . . . . 0.0 110.375 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.93 -20.98 12.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.388 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 9.8 m -71.92 -12.69 61.38 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.47 1.83 18.64 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 119.446 -0.641 . . . . 0.0 114.431 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 15.2 m -137.66 134.67 18.44 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -72.07 158.16 52.85 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.859 1.706 . . . . 0.0 111.248 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.444 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.7 p-90 -60.2 -55.42 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.04 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.444 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -35.13 -26.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -116.38 -31.76 5.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.867 -0.587 . . . . 0.0 111.63 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.408 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 10.7 tp -44.87 -59.65 2.44 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-O 121.564 0.697 . . . . 0.0 110.508 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.563 HD12 HG12 ' A' ' 510' ' ' ILE 0.318 39.3 pt -43.69 -32.29 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 175.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -86.34 4.69 38.12 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 171.14 0.76 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.954 0.883 . . . . 0.0 113.108 172.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.63 166.48 17.99 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.147 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.0 -49.79 62.62 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.395 1.093 . . . . 0.0 113.814 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.75 -40.04 84.16 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.002 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 6.7 m -62.64 -39.44 93.85 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.292 -0.88 . . . . 0.0 111.162 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.4 mp -56.21 -53.88 51.93 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.909 0.777 . . . . 0.0 111.44 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -61.19 -30.2 70.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 119.949 1.25 . . . . 0.0 113.969 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.59 -13.05 59.39 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -88.97 -12.07 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.55 13.8 7.87 Favored Glycine 0 N--CA 1.474 1.229 0 O-C-N 123.473 0.483 . . . . 0.0 113.733 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -109.33 62.69 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 122.776 1.274 . . . . 0.0 107.786 -174.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -37.23 85.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.763 -168.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -69.94 141.06 53.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.154 0.434 . . . . 0.0 111.327 -174.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.68 -42.41 92.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.815 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.92 -65.69 3.07 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.864 -0.409 . . . . 0.0 112.248 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.85 -57.52 0.45 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 168.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' ARG . . . . . 0.489 ' HA ' HD23 ' A' ' 488' ' ' LEU . 12.8 ttm180 -50.58 -59.92 3.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -55.9 -37.51 68.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.922 0.783 . . . . 0.0 112.89 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -65.14 -35.83 82.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.13 -50.71 67.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.731 0.696 . . . . 0.0 111.049 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.1 -35.26 74.83 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.148 0.885 . . . . 0.0 113.259 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -59.62 -61.09 2.88 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.412 169.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.49 41.13 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 10.9 m-30 -60.59 -42.45 96.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 129.754 3.222 . . . . 0.0 113.732 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.52 -30.59 73.14 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 119.48 -2.013 . . . . 0.0 112.088 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.82 -67.68 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.612 HG23 ' H ' ' A' ' 510' ' ' ILE . 7.5 m -41.75 -56.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.604 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.612 ' H ' HG23 ' A' ' 509' ' ' VAL . 38.4 mt -39.14 -45.38 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-N 119.985 1.266 . . . . 0.0 113.353 170.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.38 -54.04 51.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.561 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -61.15 -27.52 68.45 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -68.37 -43.41 77.41 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.727 0.775 . . . . 0.0 110.253 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.58 -8.77 56.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 113.831 -1.532 . . . . 0.0 112.234 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.68 -22.75 13.52 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.281 172.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 16.8 t70 85.74 16.38 0.13 Allowed 'General case' 0 N--CA 1.479 0.979 0 O-C-N 125.281 1.613 . . . . 0.0 113.005 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.93 -4.83 51.77 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 27.9 mm -54.57 -58.65 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.44 ' HB3' ' HG3' ' A' ' 450' ' ' PRO . 19.4 t70 107.18 149.81 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 127.842 3.214 . . . . 0.0 109.758 -170.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -70.08 -10.45 58.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 58.5 m -72.0 -25.44 61.83 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -74.13 -42.03 60.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.993 0.815 . . . . 0.0 112.49 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-N 113.894 -1.503 . . . . 0.0 113.795 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C4'-C3'-C2' 99.09 -3.61 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.945 0 C4'-C3'-C2' 98.984 -3.716 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 1 C4'-C3'-C2' 98.403 -4.297 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.026 0 C5'-C4'-O4' 114.234 3.596 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 C5'-C4'-O4' 113.532 3.095 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.921 0 C5'-C4'-C3' 109.662 -3.892 . 0.874 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.844 0 C5'-C4'-O4' 113.339 2.956 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 O4'-C1'-N19 112.156 3.956 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.929 1 C4'-C3'-C2' 98.204 -4.496 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.341 2 O5'-C5'-C4' 118.514 5.938 . 0.704 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.403 -2.315 0 P-O3'-C3' 123.291 2.993 . 0.124 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 1 O5'-C5'-C4' 116.84 4.743 . 0.537 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . 0.427 " H2'" " H3'" ' B' ' 537' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.553 0 C5'-C4'-C3' 110.919 -3.054 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . 0.427 " H3'" " H2'" ' B' ' 536' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.29 2 C3'-C2'-C1' 95.409 -6.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.518 0 O4'-C1'-N19 111.999 3.799 . 0.022 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.816 0 C4'-C3'-C2' 99.259 -3.441 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 1 O4'-C1'-N19 113.447 5.247 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 2 C4'-C3'-C2' 98.244 -4.456 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 O4'-C1'-N19 113.348 5.148 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.97 1 C4'-C3'-C2' 98.206 -4.494 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.963 2 O4'-C1'-N19 112.798 4.598 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.928 0 C4'-C3'-C2' 98.725 -3.975 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.678 3.478 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 58.7 ttm . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 118.83 -0.605 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.48 137.27 57.46 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.823 3.015 . . . . 0.0 113.669 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -141.13 -1.23 1.38 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 25.8 m -128.36 8.11 5.96 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.005 1.722 . . . . 0.0 113.038 -174.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.98 -34.72 77.09 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.082 -1.011 . . . . 0.0 111.934 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 77.5 p -68.72 24.92 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.773 3.629 . . . . 0.0 114.04 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.88 130.04 23.48 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 127.106 2.162 . . . . 0.0 109.425 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.28 -22.65 25.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 121.433 1.422 . . . . 0.0 113.238 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.74 -43.63 45.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.27 -51.06 65.4 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.41 -37.15 79.94 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -59.78 -53.58 56.25 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.64 -0.663 . . . . 0.0 112.674 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.79 95.66 5.69 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 122.387 1.089 . . . . 0.0 112.584 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.9 mm -45.87 -40.55 16.19 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-N 112.646 -2.07 . . . . 0.0 115.524 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.78 -38.74 78.17 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.0 1.8 . . . . 0.0 114.761 173.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 18.5 ttp -78.17 -32.26 50.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.196 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -56.76 -47.65 79.62 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 168.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.46 -28.28 69.56 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 173.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -52.36 -48.15 65.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 65.7 m -67.43 -8.49 33.61 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 72.7 mt -104.71 -6.59 20.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.364 1.465 . . . . 0.0 113.561 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 62.43 21.64 12.72 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -169.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 82.9 mt -113.78 19.93 16.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.34 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -66.88 23.47 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -95.71 -38.77 10.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 168.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -90.68 6.79 42.52 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.439 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 11.0 p -52.3 -33.49 42.48 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -80.05 -28.31 39.26 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.08 -18.44 63.99 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.226 172.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.37 -14.69 12.75 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.13 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.8 t -64.96 -20.4 66.46 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.96 -2.39 38.33 Favored Glycine 0 CA--C 1.541 1.69 0 N-CA-C 115.223 0.849 . . . . 0.0 115.223 172.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 48.8 m -132.28 130.56 21.99 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 117.839 0.819 . . . . 0.0 109.43 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.22 160.53 48.67 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.061 1.841 . . . . 0.0 111.243 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.7 p-90 -60.8 -55.09 37.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.785 -170.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.433 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -35.25 -28.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 172.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -111.32 -32.67 6.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 123.454 0.471 . . . . 0.0 112.267 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.9 tp -49.74 -56.16 11.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.89 0.744 . . . . 0.0 110.064 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.555 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.324 36.4 pt -42.37 -37.33 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.41 ' CD1' HG13 ' A' ' 481' ' ' ILE . 14.4 m-30 -79.05 2.08 21.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.81 169.19 1.48 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 122.316 1.055 . . . . 0.0 113.429 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -129.65 167.21 18.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -58.94 -40.86 85.93 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.52 -49.65 68.16 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 122.333 -0.229 . . . . 0.0 111.453 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 26.3 m -59.94 -36.56 77.33 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.789 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.5 mp -55.41 -53.21 59.11 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.317 170.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.2 -36.28 65.77 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -86.02 -9.94 55.9 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -96.34 -11.56 25.66 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.53 12.72 9.36 Favored Glycine 0 N--CA 1.474 1.228 0 CA-C-O 120.046 -0.308 . . . . 0.0 113.277 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 10.0 t -107.6 63.59 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 122.525 1.155 . . . . 0.0 108.161 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -39.85 82.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.99 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.61 140.14 55.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.119 0.485 . . . . 0.0 111.658 -175.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -61.68 -43.42 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.97 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.21 -65.75 3.25 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.59 -61.72 0.32 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.786 0.933 . . . . 0.0 113.188 167.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' ARG . . . . . 0.432 ' HA ' HD23 ' A' ' 488' ' ' LEU . 17.8 ttp-105 -50.58 -57.64 7.69 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 34.8 mtp-105 -54.79 -37.57 66.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.847 0.749 . . . . 0.0 112.613 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.37 -33.26 72.79 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.589 -0.719 . . . . 0.0 112.129 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.03 -49.91 70.55 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.974 0.807 . . . . 0.0 111.086 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.59 -36.55 76.48 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.859 0.838 . . . . 0.0 112.701 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.95 -60.34 3.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.303 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.84 -47.51 31.36 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.307 1.004 . . . . 0.0 112.382 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.555 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.5 m-30 -56.68 -48.68 77.09 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 128.976 2.91 . . . . 0.0 113.815 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.96 -30.15 76.92 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 120.041 -1.662 . . . . 0.0 111.711 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.95 -71.64 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.538 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.72 -55.36 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 119.118 -1.033 . . . . 0.0 113.645 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.538 ' H ' HG23 ' A' ' 509' ' ' VAL . 35.5 mt -39.13 -46.31 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 CA-C-N 119.457 1.026 . . . . 0.0 113.396 170.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -58.45 -56.12 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.944 0.777 . . . . 0.0 109.449 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.4 -26.41 63.22 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.407 ' HE2' HD11 ' A' ' 478' ' ' ILE . 59.5 tttm -69.95 -44.92 68.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.183 0.447 . . . . 0.0 110.567 174.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.08 -20.77 60.17 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -86.17 -23.09 26.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.656 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 72.42 25.06 2.82 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 124.488 1.117 . . . . 0.0 112.892 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.59 -11.91 59.91 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.8 mt -75.65 155.99 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.483 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.54 152.55 24.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 122.881 1.324 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.06 -14.73 62.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.083 -1.417 . . . . 0.0 114.404 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 21.0 m -83.23 -13.5 55.2 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.8 78.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.937 0.79 . . . . 0.0 111.251 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.255 1.356 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.047 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.054 0 C4'-C3'-C2' 99.508 -3.192 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.906 0 C4'-C3'-C2' 98.914 -3.786 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.87 1 C4'-C3'-C2' 98.498 -4.202 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.929 0 C4'-C3'-C2' 99.162 -3.538 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.942 0 O4'-C1'-N19 111.307 3.107 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 99.373 -3.327 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.913 0 C4'-C3'-C2' 99.292 -3.408 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 0 O4'-C1'-N19 112.025 3.825 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.92 1 C4'-C3'-C2' 97.853 -4.847 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.422 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.529 2 O4'-C1'-N19 113.141 4.941 . 0.675 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.422 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.405 -2.21 0 P-O3'-C3' 122.848 2.624 . 0.136 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 1 O5'-C5'-C4' 116.461 4.472 . 0.557 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.645 0 C5'-C4'-C3' 110.523 -3.318 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 2 C3'-C2'-C1' 95.607 -6.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.311 2 P-O3'-C3' 125.605 4.921 . 0.14 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.914 0 C4'-C3'-C2' 99.464 -3.236 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 112.186 3.986 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.891 2 C5'-C4'-C3' 108.629 -4.58 . 0.769 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.686 3.486 . 0.973 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.867 0 C5'-C4'-C3' 109.972 -3.685 . 0.951 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 1 O4'-C1'-N19 112.735 4.535 . 0.909 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 1 C4'-C3'-C2' 98.559 -4.141 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 111.76 3.56 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.52 -19.08 22.15 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.246 2.631 . . . . 0.0 113.898 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt 48.84 -12.77 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 1 C-N-CA 132.147 4.179 . . . . 0.0 119.643 177.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 448' ' ' THR . 61.0 p -140.75 -84.04 0.22 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.286 1.434 . . . . 0.0 112.209 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 16.9 mt 63.64 -28.97 0.09 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 129.465 3.106 . . . . 0.0 114.168 -168.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' ' 512' ' ' TYR . 63.8 p -66.78 14.38 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.586 1 C-N-CA 132.75 4.42 . . . . 0.0 113.764 169.143 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.09 125.34 57.09 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 126.175 1.79 . . . . 0.0 108.937 -169.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.36 -28.08 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.678 1.585 . . . . 0.0 113.152 -168.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -70.89 -45.6 64.05 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -50.5 68.26 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.065 172.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.33 -36.98 74.21 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.58 -50.74 72.3 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.2 95.0 5.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 15.7 mm -47.52 -40.08 25.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.54 -43.2 46.32 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.951 1.767 . . . . 0.0 113.699 172.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.0 ttp -79.94 -29.93 39.82 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.529 0.604 . . . . 0.0 111.604 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -57.35 -48.58 78.64 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.498 -0.751 . . . . 0.0 111.17 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -72.08 -29.34 64.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.264 1.426 . . . . 0.0 113.323 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -53.34 -43.44 67.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 167.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 7.6 t -58.94 -18.0 29.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.83 -4.2 21.05 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.725 1.61 . . . . 0.0 113.353 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 61.75 15.88 7.38 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.6 mt -94.72 11.84 29.9 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -60.86 15.32 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 467' ' ' LYS . 22.2 ttpt -80.99 -38.52 27.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.589 1.185 . . . . 0.0 110.181 168.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -84.79 11.48 9.07 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.269 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 62.8 p -55.03 -40.96 70.76 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -77.32 -25.48 51.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.55 1.068 . . . . 0.0 112.449 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.83 -26.14 59.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 63.2 mt -106.64 -17.8 14.14 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.857 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 25.6 t -65.76 -15.85 63.24 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.67 -2.3 43.32 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 119.188 -0.784 . . . . 0.0 115.054 170.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -131.93 133.7 24.35 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.827 0.814 . . . . 0.0 109.477 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.0 159.4 50.32 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.717 1.611 . . . . 0.0 111.139 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.9 p-90 -61.44 -55.89 26.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.354 -172.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.47 -25.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -115.77 -29.47 6.4 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.88 -55.01 12.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.586 0.554 . . . . 0.0 109.91 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.568 HD12 HG12 ' A' ' 510' ' ' ILE 0.314 42.2 pt -43.0 -35.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 174.475 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -83.95 7.82 17.11 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.14 171.02 1.08 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.19 0.995 . . . . 0.0 112.564 171.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -133.19 168.55 18.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.195 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.64 -43.49 89.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.06 -44.11 80.96 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.954 -0.466 . . . . 0.0 111.948 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.0 m -62.68 -39.01 92.63 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 110.936 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.44 -46.8 88.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.337 0.517 . . . . 0.0 111.109 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.95 -41.14 70.73 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 118.195 0.452 . . . . 0.0 112.084 175.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.82 -15.98 46.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -86.37 -13.43 46.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.35 11.16 8.26 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 119.229 -0.761 . . . . 0.0 114.136 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.4 t -101.35 67.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.83 -25.66 59.16 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.03 140.27 52.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.837 1.199 . . . . 0.0 111.815 174.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.09 -45.63 93.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.615 170.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.05 -65.27 3.7 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -174.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.74 -67.43 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 166.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -46.02 -56.61 5.31 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.94 -33.32 71.74 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.714 0.688 . . . . 0.0 112.707 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -74.99 -28.45 60.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.923 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.08 -49.8 74.5 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.81 1.187 . . . . 0.0 108.976 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.11 -37.98 75.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.819 0.736 . . . . 0.0 112.946 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -60.83 -61.66 2.42 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.281 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.95 -51.66 22.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.189 0.931 . . . . 0.0 112.626 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.548 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.6 m-30 -52.72 -49.95 64.37 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 129.823 3.249 . . . . 0.0 112.979 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.92 -29.83 75.96 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.069 -1.644 . . . . 0.0 111.88 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.41 -71.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.501 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.7 m -41.45 -55.71 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 118.843 -1.143 . . . . 0.0 113.853 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.568 HG12 HD12 ' A' ' 481' ' ' ILE . 30.7 mt -38.73 -46.42 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 170.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -59.12 -55.57 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.239 0.962 . . . . 0.0 109.324 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' TYR . . . . . 0.464 ' CG ' HG21 ' A' ' 448' ' ' THR . 6.3 m-85 -57.38 -29.47 64.1 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 173.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -69.51 -42.2 75.04 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 118.059 0.391 . . . . 0.0 110.519 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.28 -17.06 58.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -87.27 -23.34 24.72 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.876 172.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.6 t70 87.87 16.47 0.08 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.244 2.215 . . . . 0.0 112.593 172.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.42 -6.6 53.98 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.22 137.9 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -75.56 9.11 2.39 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -171.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.269 50.0 mmt-85 49.22 11.21 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 118.695 2.85 . . . . 0.0 118.695 -168.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 49.3 m -109.82 -9.83 14.79 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.116 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -72.42 -28.27 62.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 . . . . . 0 C--O 1.254 1.315 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.882 -174.581 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 O4'-C1'-N19 111.129 2.929 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.01 0 C4'-C3'-C2' 99.375 -3.325 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.119 0 C5'-C4'-O4' 113.375 2.982 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.788 0 C5'-C4'-C3' 109.511 -3.992 . 0.428 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C5'-C4'-O4' 112.623 2.445 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 1 C5'-C4'-C3' 109.259 -4.161 . 0.766 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.907 0 C5'-C4'-O4' 113.833 3.309 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 1 O4'-C1'-N19 112.228 4.028 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.869 1 C4'-C3'-C2' 98.0 -4.7 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.445 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.532 2 O5'-C5'-C4' 118.008 5.577 . 0.642 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.445 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.4 -2.523 1 C3'-C2'-C1' 97.723 -4.196 . 0.155 2z . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O5'-C5'-C4' 114.92 3.372 . 0.533 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.254 0 C5'-C4'-C3' 110.299 -3.468 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C3'-C2'-C1' 104.074 2.86 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.289 1 P-O3'-C3' 127.747 6.706 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 1.552 0 C4'-C3'-C2' 99.206 -3.494 . 0.957 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 1 O4'-C1'-N19 112.202 4.002 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.693 2 O4'-C1'-N19 112.801 4.601 . 0.587 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 111.992 3.792 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.081 1 C5'-C4'-C3' 109.129 -4.247 . 0.93 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.081 1 O4'-C1'-N19 112.725 4.525 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.03 0 C4'-C3'-C2' 99.181 -3.519 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.422 3.222 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.31 -64.76 0.22 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 125.018 3.812 . . . . 0.0 115.382 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 51.56 0.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 129.207 3.003 . . . . 0.0 117.387 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 16.0 m -130.38 8.7 5.07 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.632 2.373 . . . . 0.0 112.64 -171.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.4 mt -71.63 -39.16 70.61 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.073 -1.017 . . . . 0.0 111.261 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 57.5 p -67.12 16.43 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 130.276 3.431 . . . . 0.0 115.08 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -98.91 132.4 23.76 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.329 1.851 . . . . 0.0 109.802 -169.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.02 -27.48 25.16 Favored 'Trans proline' 0 C--N 1.346 0.403 0 CA-C-N 121.236 1.477 . . . . 0.0 113.335 -168.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -72.24 -39.93 68.1 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.7 -46.71 52.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.871 172.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.401 HD22 ' CE3' ' A' ' 477' ' ' TRP . 51.2 mt -57.75 -42.8 84.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 118.368 0.531 . . . . 0.0 111.479 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -66.45 -29.59 69.76 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.335 -1.478 . . . . 0.0 114.511 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -122.32 86.63 2.61 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 122.314 1.054 . . . . 0.0 113.026 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.0 mm -50.05 -40.24 53.65 Favored Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.97 -44.98 34.79 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.89 2.394 . . . . 0.0 114.745 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 7.4 mtm -78.35 -30.66 48.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 121.392 -0.817 . . . . 0.0 111.395 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -56.75 -38.07 71.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.837 0.827 . . . . 0.0 110.969 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -82.9 -31.38 27.86 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.188 1.795 . . . . 0.0 114.274 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -49.78 -51.23 40.87 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 91.0 p -65.66 -16.34 63.64 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 68.1 mt -90.17 -9.26 48.85 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.653 1.581 . . . . 0.0 113.578 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 53.8 mmm-85 62.38 24.8 14.79 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.9 14.42 28.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.008 -0.996 . . . . 0.0 112.545 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -67.44 27.08 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.56 -41.27 60.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 164.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . 0.255 22.6 m-85 -86.77 -177.29 6.07 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 112.691 -2.049 . . . . 0.0 106.881 169.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 3.0 m 154.34 -66.86 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -68.52 -26.47 65.45 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.727 0.299 . . . . 0.0 111.662 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.93 -26.56 64.2 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 122.388 1.09 . . . . 0.0 112.139 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.8 mt -104.95 -16.94 14.69 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 113.822 -1.536 . . . . 0.0 110.339 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.6 p -65.67 -23.05 66.7 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.14 1.4 11.62 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.576 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 47.0 m -133.78 128.26 19.77 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.67 159.98 49.45 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.968 1.779 . . . . 0.0 110.663 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.425 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.1 p-90 -61.34 -56.48 19.96 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.847 -171.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.425 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.1 tp -33.36 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 170.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -115.17 -28.26 7.01 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.2 tp -49.49 -55.58 12.78 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 109.707 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.567 HG22 HG21 ' A' ' 509' ' ' VAL 0.328 36.9 pt -43.32 -37.06 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 173.597 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.4 ' CD1' HG13 ' A' ' 481' ' ' ILE . 12.3 m-30 -77.9 5.44 9.68 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 170.75 0.62 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.372 1.082 . . . . 0.0 113.678 174.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -134.28 171.21 14.57 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.561 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.02 -43.42 91.56 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.953 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.97 -46.88 76.47 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 28.0 m -62.77 -38.43 90.57 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.865 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.14 -45.52 94.32 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.81 0.732 . . . . 0.0 111.657 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -37.11 62.48 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 119.023 0.829 . . . . 0.0 111.862 171.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -82.53 -18.43 41.53 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -73.04 -24.68 60.74 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.757 0.423 . . . . 0.0 111.213 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.82 4.49 16.83 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.828 0.705 . . . . 0.0 113.614 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.5 68.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -33.75 68.04 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.2 -0.937 . . . . 0.0 112.789 -168.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.42 136.14 55.31 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.332 0.514 . . . . 0.0 111.855 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.582 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.38 -67.28 2.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.96 -67.1 0.14 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 166.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -45.08 -56.31 4.82 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.2 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -75.08 -26.67 59.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.575 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.71 -47.68 80.14 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.636 1.107 . . . . 0.0 109.302 167.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.38 -38.94 75.03 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.775 0.716 . . . . 0.0 112.846 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -62.49 -57.75 10.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.404 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.17 -52.1 28.59 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.027 0.829 . . . . 0.0 112.483 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.526 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.5 m-30 -51.31 -46.28 62.51 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.55 3.14 . . . . 0.0 113.449 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.52 78.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 120.151 -1.593 . . . . 0.0 112.121 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 9.7 mt -70.67 -69.97 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.567 HG21 HG22 ' A' ' 481' ' ' ILE . 3.7 m -41.81 -55.76 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.723 -1.191 . . . . 0.0 113.94 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.546 HG12 HD12 ' A' ' 481' ' ' ILE . 26.4 mt -38.44 -46.11 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 CA-C-N 119.5 1.046 . . . . 0.0 113.682 170.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.04 -56.08 26.81 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.863 0.727 . . . . 0.0 109.51 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -58.4 -25.91 62.65 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 478' ' ' ILE . 53.5 tttm -71.78 -43.15 66.19 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.482 0.583 . . . . 0.0 111.067 174.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -75.17 -20.05 59.53 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -84.49 -28.33 26.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.679 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . 0.263 29.2 t70 74.66 28.41 1.21 Allowed 'General case' 0 CA--C 1.552 1.019 0 O-C-N 124.698 1.249 . . . . 0.0 113.197 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.9 mp -83.22 -8.37 59.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 38.8 mt -74.9 158.53 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.104 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -84.58 140.54 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 122.399 1.095 . . . . 0.0 110.91 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -58.64 -16.5 16.41 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 114.152 -1.386 . . . . 0.0 114.726 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 20.1 m -75.78 -17.14 59.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.18 72.84 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.031 0.832 . . . . 0.0 112.099 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.909 -1.042 . . . . 0.0 113.244 -175.276 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.259 0 O4'-C1'-N19 110.981 2.781 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.899 0 C4'-C3'-C2' 99.204 -3.496 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.092 0 C5'-C4'-O4' 113.995 3.425 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.869 0 C5'-C4'-C3' 109.506 -3.996 . 0.607 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 C4'-C3'-C2' 99.633 -3.067 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 C4'-C3'-C2' 99.08 -3.62 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.903 1 C4'-C3'-C2' 98.649 -4.051 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 111.65 3.45 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C5'-C4'-C3' 110.791 -3.14 . 0.891 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.25 2 C5'-C4'-C3' 106.567 -5.955 . 0.482 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.495 0 O5'-C5'-C4' 112.794 1.853 . 0.063 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.037 1 O5'-C5'-C4' 116.595 4.568 . 0.508 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 109.855 -3.764 . 0.162 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 2 C3'-C2'-C1' 107.017 6.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.901 2 P-O3'-C3' 127.956 6.88 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.774 0 C5'-C4'-O4' 114.098 3.499 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.944 3.744 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.888 2 C5'-C4'-C3' 108.174 -4.884 . 0.894 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.066 -3.634 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.96 0 C5'-C4'-C3' 110.101 -3.6 . 0.939 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 2 O4'-C1'-N19 112.479 4.279 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 1 C4'-C3'-C2' 98.603 -4.097 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.72 3.52 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.52 166.42 1.85 Allowed 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.855 3.037 . . . . 0.0 114.921 172.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.21 95.4 4.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.155 1.782 . . . . 0.0 109.95 178.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 6.9 t 36.34 74.08 0.08 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.748 2.419 . . . . 0.0 113.716 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.7 mt -64.96 -34.81 79.32 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.216 -0.927 . . . . 0.0 112.218 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 43.5 p -67.54 23.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 130.819 3.648 . . . . 0.0 114.888 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.81 130.51 23.67 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 127.165 2.186 . . . . 0.0 110.066 -170.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.81 -24.74 24.52 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.656 1.57 . . . . 0.0 113.286 -169.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -73.72 -45.74 50.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -53.25 55.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.018 172.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.9 mt -56.15 -42.4 76.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.04 -48.4 81.72 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.77 96.98 6.39 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 16.6 mm -45.86 -40.61 16.31 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.03 -44.71 36.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.148 1.899 . . . . 0.0 113.423 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.9 ttp -80.1 -30.12 39.13 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.293 0.497 . . . . 0.0 111.829 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -56.67 -48.02 78.53 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.683 -0.636 . . . . 0.0 111.05 166.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.09 -27.79 61.06 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.025 1.33 . . . . 0.0 113.64 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -54.19 -40.55 67.67 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.762 -0.587 . . . . 0.0 112.409 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 67.7 m -69.71 14.58 0.1 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 81.6 mt -138.66 -12.02 1.33 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.789 2.435 . . . . 0.0 112.689 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.265 1.4 mpt_? 62.04 24.93 14.91 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 123.273 1.511 . . . . 0.0 114.784 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 69.0 mt -104.98 14.77 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 111.878 -2.419 . . . . 0.0 109.046 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -63.96 7.32 0.13 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.08 -30.55 49.67 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -89.59 12.54 16.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.047 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 47.4 t -47.51 -54.06 12.65 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.47 -17.39 59.32 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.32 -17.17 59.56 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.877 174.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 74.4 mt -121.22 -14.99 8.26 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.221 -174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.7 p -64.63 -21.47 66.73 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.12 -1.07 39.13 Favored Glycine 0 CA--C 1.538 1.483 0 CA-C-O 119.103 -0.831 . . . . 0.0 115.141 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.5 m -130.16 127.94 22.68 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 118.194 0.997 . . . . 0.0 109.438 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.64 160.85 48.1 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.424 2.083 . . . . 0.0 111.354 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.422 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 35.5 p-90 -61.11 -53.98 50.33 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.066 -169.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.422 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -35.35 -27.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 172.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.33 -32.6 6.21 Favored 'General case' 0 C--O 1.226 -0.152 0 O-C-N 123.575 0.547 . . . . 0.0 112.395 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.21 -56.82 8.07 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.552 0.691 . . . . 0.0 110.229 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.526 HD12 HG12 ' A' ' 510' ' ' ILE 0.311 38.9 pt -41.91 -37.64 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.209 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.418 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.0 m-30 -76.18 -2.12 29.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.89 169.33 1.48 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -129.02 168.32 16.21 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.252 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.17 -41.83 89.35 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.02 -47.57 79.72 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 122.307 -0.246 . . . . 0.0 111.264 173.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 11.4 m -61.8 -36.51 81.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.566 -0.731 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.6 mp -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.55 1.068 . . . . 0.0 111.256 171.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -34.08 57.41 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.766 -0.584 . . . . 0.0 112.053 172.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -85.69 -18.1 34.09 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -23.12 56.31 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.148 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 114.08 17.28 7.36 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 124.162 0.914 . . . . 0.0 113.622 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 22.7 t -107.59 63.37 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.31 -32.71 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.678 -168.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.82 141.5 48.02 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.665 0.666 . . . . 0.0 112.118 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -44.49 93.88 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 174.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.69 -66.31 2.93 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.78 -62.64 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 166.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' ARG . . . . . 0.433 ' HA ' HD23 ' A' ' 488' ' ' LEU . 26.3 ttm180 -48.43 -56.8 7.25 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -177.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.07 -32.25 70.77 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.948 0.795 . . . . 0.0 112.656 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.92 -34.62 71.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.403 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.33 -52.41 64.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.325 0.966 . . . . 0.0 110.37 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.95 -36.28 74.55 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.719 0.771 . . . . 0.0 112.44 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -59.8 -59.15 5.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.718 168.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.16 -48.34 45.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.199 0.937 . . . . 0.0 112.009 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.508 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.7 m-30 -57.21 -45.21 84.0 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 129.817 3.247 . . . . 0.0 113.712 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.3 -29.81 74.71 Favored Glycine 0 CA--C 1.527 0.801 0 O-C-N 119.814 -1.804 . . . . 0.0 111.802 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.59 -70.45 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.554 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.2 m -41.83 -56.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 117.813 -1.089 . . . . 0.0 113.709 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.554 ' H ' HG23 ' A' ' 509' ' ' VAL . 32.4 mt -39.43 -45.05 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 120.2 1.363 . . . . 0.0 113.405 170.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.7 -55.45 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.7 -29.86 62.87 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 172.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -72.06 -41.27 67.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.233 0.54 . . . . 0.0 111.639 176.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -69.51 -12.47 61.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.436 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -102.59 -22.28 14.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.554 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.34 26.58 2.63 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.41 1.069 . . . . 0.0 113.593 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.11 -8.71 59.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.25 154.34 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.325 1.059 . . . . 0.0 109.426 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.65 125.33 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.502 -1.226 . . . . 0.0 108.501 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -61.51 -7.69 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 40.7 m -71.33 -14.99 62.38 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 169.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.22 64.11 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.797 -169.907 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C4'-C3'-C2' 99.447 -3.253 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.884 0 O4'-C1'-N19 111.825 3.625 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.062 1 C4'-C3'-C2' 98.57 -4.13 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.012 0 C4'-C3'-C2' 99.328 -3.372 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C5'-C4'-O4' 113.586 3.133 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 0 C5'-C4'-C3' 109.765 -3.823 . 0.862 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.894 0 C4'-C3'-C2' 99.463 -3.237 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 1 O4'-C1'-N19 112.384 4.184 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.98 1 C4'-C3'-C2' 98.439 -4.261 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.412 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.539 2.243 2 O5'-C5'-C4' 118.093 5.638 . 0.747 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.412 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.539 2.24 0 P-O3'-C3' 123.431 3.11 . 0.104 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.833 0 O5'-C5'-C4' 115.641 3.886 . 0.487 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.214 0 C5'-C4'-C3' 111.008 -2.995 . 0.297 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 2 C4'-C3'-C2' 97.857 -4.843 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.296 1 P-O3'-C3' 126.878 5.982 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 1.602 0 C4'-C3'-C2' 99.113 -3.587 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 2 O4'-C1'-N19 113.351 5.151 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 2 O4'-C1'-N19 112.631 4.431 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 2 O4'-C1'-N19 113.111 4.911 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 1 C4'-C3'-C2' 98.009 -4.691 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 2 O4'-C1'-N19 112.619 4.419 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 98.771 -3.929 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 O4'-C1'-N19 111.675 3.475 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 118.878 -0.582 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.4 148.96 24.51 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 123.947 3.098 . . . . 0.0 113.912 172.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -146.05 -47.75 0.21 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.952 1.301 . . . . 0.0 112.524 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 16.4 m -65.25 0.45 1.4 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.084 1.753 . . . . 0.0 115.194 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.83 -39.55 92.18 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.607 -1.308 . . . . 0.0 112.806 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -68.79 18.51 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 128.64 2.776 . . . . 0.0 114.789 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.73 128.99 29.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 C-N-CA 125.441 1.496 . . . . 0.0 110.333 -169.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.19 -32.39 82.69 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.762 2.308 . . . . 0.0 114.165 -171.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -79.09 -32.61 44.75 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.304 0.241 . . . . 0.0 110.579 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.77 -49.85 35.25 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.41 0.284 . . . . 0.0 110.583 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.08 -38.07 72.79 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.77 -47.54 65.94 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.096 -1.003 . . . . 0.0 112.85 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -98.02 83.02 3.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.501 0.667 . . . . 0.0 112.009 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 28.8 mm -46.29 -40.41 18.14 Favored Pre-proline 0 N--CA 1.486 1.328 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.39 -36.08 68.86 Favored 'Trans proline' 0 C--N 1.353 0.775 0 CA-C-N 122.6 1.964 . . . . 0.0 112.919 174.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.3 ttp -77.45 -26.27 51.32 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.06 0.845 . . . . 0.0 111.706 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.6 -50.01 75.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.785 -0.572 . . . . 0.0 110.652 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -70.33 -27.15 64.14 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.437 1.095 . . . . 0.0 113.688 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -55.49 -42.26 74.17 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 167.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 47.6 m -66.74 14.88 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 175.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 86.4 mt -139.27 -16.04 1.08 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.854 2.462 . . . . 0.0 112.725 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 61.32 25.67 15.6 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 123.097 1.427 . . . . 0.0 114.343 -173.42 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 49.3 mt -105.48 13.97 29.35 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 111.988 -2.369 . . . . 0.0 108.698 168.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -64.48 11.31 0.05 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -71.19 -36.16 71.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.266 1.031 . . . . 0.0 109.869 171.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -94.75 16.11 16.63 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.151 -1.841 . . . . 0.0 111.15 -170.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -53.49 -38.24 63.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.99 -26.85 43.31 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.854 0.752 . . . . 0.0 112.347 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.08 62.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.271 0.557 . . . . 0.0 111.019 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.0 mt -107.07 -13.84 15.08 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.283 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 45.4 t -61.19 -24.08 66.06 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.87 2.88 10.94 Favored Glycine 0 CA--C 1.541 1.66 0 N-CA-C 115.746 1.058 . . . . 0.0 115.746 173.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 76.7 m -137.76 127.87 15.43 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 118.51 1.155 . . . . 0.0 109.817 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.46 158.95 50.29 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.203 1.935 . . . . 0.0 111.241 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.449 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.0 p-90 -60.23 -56.31 23.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 118.971 -0.537 . . . . 0.0 111.068 -172.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.5 tp -34.84 -26.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 172.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -114.77 -33.42 5.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.788 0.435 . . . . 0.0 111.675 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 483' ' ' LEU . 11.7 tp -45.57 -57.91 3.81 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.825 0.703 . . . . 0.0 110.78 174.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 510' ' ' ILE 0.312 42.1 pt -42.12 -35.23 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.136 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.95 2.99 28.13 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.7 mm? -57.44 168.34 0.82 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 175.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -127.09 166.88 16.79 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.833 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.77 -37.95 86.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.259 -0.276 . . . . 0.0 111.368 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.4 m -60.09 -38.77 83.92 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.26 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -51.43 67.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.703 0.683 . . . . 0.0 111.202 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.71 -40.5 72.5 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.01 -11.62 56.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -92.95 -15.65 26.04 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 120.41 12.53 6.17 Favored Glycine 0 N--CA 1.475 1.247 0 CA-C-O 119.886 -0.397 . . . . 0.0 114.041 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.8 64.55 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -28.9 66.33 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -166.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.85 142.15 47.98 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.322 0.965 . . . . 0.0 112.199 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.0 -41.35 99.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.345 168.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.16 -68.32 1.75 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.42 -65.06 0.19 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -56.93 -45.71 82.55 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -170.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 46.5 ttm-85 -63.63 -34.09 77.05 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.654 0.661 . . . . 0.0 111.881 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -69.44 -31.6 70.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.915 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.31 -47.73 81.01 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.633 1.106 . . . . 0.0 110.384 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.27 -37.62 78.08 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -64.44 -55.95 17.44 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.186 171.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.2 -48.44 45.28 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.209 0.943 . . . . 0.0 112.037 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.557 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.6 m-30 -55.22 -48.25 74.18 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 128.925 2.89 . . . . 0.0 113.533 172.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.54 -29.22 73.97 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 119.987 -1.696 . . . . 0.0 112.026 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.6 mt -71.03 -70.32 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.506 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.3 m -41.67 -56.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 C-N-CA 118.716 -1.193 . . . . 0.0 113.624 176.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.565 HG12 HD12 ' A' ' 481' ' ' ILE . 37.6 mt -38.93 -44.71 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.02 -54.64 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.981 0.801 . . . . 0.0 109.086 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -57.72 -29.31 64.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.35 -41.18 73.49 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 118.322 0.51 . . . . 0.0 111.017 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -76.9 -18.06 58.55 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -85.59 -22.46 28.03 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.563 170.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 14.6 t70 83.87 15.89 0.26 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 125.747 1.904 . . . . 0.0 112.751 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.09 -5.88 46.56 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.25 132.89 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.613 0.72 . . . . 0.0 111.307 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 521' ' ' SER . 10.7 m-20 -70.3 9.42 0.6 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -172.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.257 37.6 mmt-85 51.98 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.348 0.51 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 -168.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 521' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 519' ' ' ASP . 34.0 m -93.2 -15.86 25.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.509 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.19 -27.72 63.71 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.999 -176.645 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.054 0 C4'-C3'-C2' 99.636 -3.064 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.858 0 C4'-C3'-C2' 98.956 -3.744 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.934 1 C4'-C3'-C2' 98.426 -4.274 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.961 0 C5'-C4'-O4' 114.006 3.433 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.902 0 C4'-C3'-C2' 99.284 -3.416 . 0.9 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.992 0 O4'-C1'-N19 111.886 3.686 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.215 0 C4'-C3'-C2' 99.459 -3.241 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 O4'-C1'-N19 112.055 3.855 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 1 C4'-C3'-C2' 98.224 -4.476 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.4 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.477 2 O5'-C5'-C4' 117.867 5.476 . 0.728 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.4 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.405 -2.166 0 P-O3'-C3' 123.405 3.087 . 0.095 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 1 O5'-C5'-C4' 116.307 4.362 . 0.445 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.07 0 C5'-C4'-C3' 110.57 -3.287 . 0.172 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 C3'-C2'-C1' 96.186 -5.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.426 1 P-O3'-C3' 124.559 4.049 . 0.115 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.808 0 C5'-C4'-O4' 113.864 3.332 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 2 O4'-C1'-N19 112.888 4.688 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 2 C4'-C3'-C2' 98.453 -4.247 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 2 O4'-C1'-N19 112.821 4.621 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 1 C4'-C3'-C2' 98.29 -4.41 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 C4'-C3'-C2' 98.28 -4.42 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 1 C4'-C3'-C2' 98.491 -4.209 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 99.21 -3.49 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.16 -1.4 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.44 6.87 3.31 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 123.204 2.603 . . . . 0.0 115.033 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 445' ' ' LYS . 0.0 OUTLIER 58.62 -82.85 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 128.531 2.732 . . . . 0.0 112.781 -169.875 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 50.8 m -146.42 86.28 1.68 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.707 1.603 . . . . 0.0 110.187 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt -67.19 -29.08 68.66 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.726 -0.609 . . . . 0.0 111.745 170.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' THR . . . . . 0.411 HG21 ' CG ' ' A' ' 512' ' ' TYR . 74.2 p -69.17 15.94 0.06 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 131.256 3.822 . . . . 0.0 114.399 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.7 131.64 28.94 Favored Pre-proline 0 N--CA 1.467 0.419 0 C-N-CA 127.057 2.143 . . . . 0.0 109.967 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.6 -25.04 21.31 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.472 1.448 . . . . 0.0 113.474 -169.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -73.78 -41.06 62.95 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.02 -52.07 27.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.577 172.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.88 -40.17 75.7 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.29 -40.91 96.91 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.11 87.05 2.42 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.0 mm -46.78 -41.93 30.51 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.11 -38.63 94.55 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.705 2.27 . . . . 0.0 114.988 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.7 ttp -81.9 -29.04 32.55 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.757 -0.589 . . . . 0.0 111.174 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -58.13 -47.17 84.12 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.951 -0.468 . . . . 0.0 111.027 166.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.6 tp -66.24 -23.47 66.42 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -54.55 -41.1 69.39 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 166.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.2 m -68.44 -14.42 62.99 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.82 -4.1 33.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.973 1.309 . . . . 0.0 112.985 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.292 21.8 mmt180 58.89 38.75 24.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.654 1.216 . . . . 0.0 113.826 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.77 -59.38 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 112.026 -2.352 . . . . 0.0 107.411 167.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 30.13 30.47 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -176.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -118.17 -39.07 3.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.624 0.726 . . . . 0.0 110.316 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -82.66 14.47 3.12 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.756 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 14.6 m -53.77 -31.44 48.66 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.94 -27.29 30.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.943 0.792 . . . . 0.0 112.497 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 122.215 1.007 . . . . 0.0 111.017 174.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.8 mt -95.54 -11.59 27.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.062 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 13.1 t -68.37 174.99 3.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.796 0.808 . . . . 0.0 110.925 167.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.93 5.39 39.4 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 121.646 -0.659 . . . . 0.0 112.781 -167.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.4 m -137.27 117.86 10.67 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -70.27 160.91 47.93 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.329 2.019 . . . . 0.0 110.44 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -61.65 -55.73 27.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.126 -171.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -33.83 -27.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 170.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -113.35 -28.84 7.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 483' ' ' LEU . 12.1 tp -51.36 -54.77 23.15 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.722 0.772 . . . . 0.0 109.441 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.567 HG22 HG21 ' A' ' 509' ' ' VAL 0.324 37.8 pt -43.46 -34.92 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 173.033 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -81.44 4.81 19.68 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 480' ' ' LEU . 2.3 mm? -59.16 168.12 1.51 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 122.492 1.139 . . . . 0.0 112.819 172.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.0 168.25 15.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.535 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -58.3 -43.99 88.32 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.83 -44.39 96.94 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.955 -0.466 . . . . 0.0 111.621 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.6 m -66.83 -35.66 80.56 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.357 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -45.73 93.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.253 1.388 . . . . 0.0 110.687 171.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -37.11 62.96 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.611 -0.681 . . . . 0.0 111.613 171.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -84.82 -17.92 36.58 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -72.02 -35.03 69.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.427 0.558 . . . . 0.0 110.517 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 126.58 19.5 2.06 Favored Glycine 0 CA--C 1.535 1.337 0 O-C-N 124.253 0.97 . . . . 0.0 113.292 -169.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.76 63.65 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -176.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -31.95 69.07 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 114.471 -1.24 . . . . 0.0 114.129 -168.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.25 142.92 52.27 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.575 0.625 . . . . 0.0 110.538 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.54 -44.8 89.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.987 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.03 -64.05 4.4 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.81 -62.9 0.28 Allowed 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.544 0.791 . . . . 0.0 112.965 167.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 32.6 ttp-105 -53.84 -50.3 66.52 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -60.11 -37.43 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 111.947 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -65.16 -32.23 73.81 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.846 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.35 -47.91 69.05 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.758 0.708 . . . . 0.0 110.549 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.36 -38.73 81.16 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.091 0.86 . . . . 0.0 113.103 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -62.71 -56.66 15.57 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.602 172.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.5 43.14 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 124.202 0.939 . . . . 0.0 112.64 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.556 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -54.35 -46.41 72.93 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 128.847 2.859 . . . . 0.0 113.281 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 -30.01 75.87 Favored Glycine 0 CA--C 1.525 0.711 0 O-C-N 119.842 -1.786 . . . . 0.0 112.015 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.77 -70.86 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.573 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.0 m -41.87 -57.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 CA-C-O 117.655 -1.164 . . . . 0.0 113.755 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.573 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.6 mt -39.4 -45.16 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 CA-C-N 120.018 1.281 . . . . 0.0 112.926 170.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.44 -54.96 41.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' TYR . . . . . 0.411 ' CG ' HG21 ' A' ' 448' ' ' THR . 7.1 m-85 -59.47 -29.84 68.1 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.426 ' HE2' HD11 ' A' ' 478' ' ' ILE . 56.3 tttm -68.94 -42.57 76.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.447 0.567 . . . . 0.0 110.411 176.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.95 -13.27 62.16 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.367 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -97.77 -21.39 16.99 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.329 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.23 20.89 1.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.912 1.383 . . . . 0.0 113.126 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -4.95 46.71 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.35 139.81 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.659 0.742 . . . . 0.0 110.514 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -75.49 148.58 38.89 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 123.037 1.399 . . . . 0.0 110.326 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -67.31 -6.82 20.32 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 49.2 m -98.3 -9.01 26.12 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.7 73.39 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.723 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.546 -178.72 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 0 O4'-C1'-N19 111.369 3.169 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 C4'-C3'-C2' 99.327 -3.373 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.908 0 C5'-C4'-O4' 113.926 3.375 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.819 1 C5'-C4'-C3' 109.336 -4.109 . 0.608 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.922 0 C4'-C3'-C2' 99.445 -3.255 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.135 0 C4'-C3'-C2' 98.93 -3.77 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.834 0 C5'-C4'-O4' 113.377 2.983 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.937 3.737 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.944 1 C4'-C3'-C2' 98.577 -4.123 . 0.869 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.498 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.538 2.137 2 O5'-C5'-C4' 117.886 5.49 . 0.762 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.498 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C3'-C2'-C1' 98.287 -3.57 . 0.144 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O5'-C5'-C4' 115.093 3.495 . 0.562 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.882 0 C5'-C4'-C3' 110.874 -3.084 . 0.392 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.078 0 O4'-C1'-N19 111.77 3.57 OUTLIER-EPSILON 0.174 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.902 1 P-O3'-C3' 128.87 7.642 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.844 0 C4'-C3'-C2' 99.505 -3.195 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 1 O4'-C1'-N19 112.377 4.177 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.835 1 O4'-C1'-N19 112.551 4.351 . 0.725 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.931 1 O4'-C1'-N19 113.512 5.312 . 0.896 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 1 C4'-C3'-C2' 98.122 -4.578 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 1 O4'-C1'-N19 112.705 4.505 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 1 C4'-C3'-C2' 98.587 -4.113 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 O4'-C1'-N19 111.639 3.439 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.39 107.84 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.669 3.579 . . . . 0.0 114.328 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.19 -29.26 70.64 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -170.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 33.0 t -158.63 -56.35 0.07 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 25.6 mt 62.18 -48.94 0.16 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 128.906 2.883 . . . . 0.0 114.392 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -62.74 20.24 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 130.683 3.593 . . . . 0.0 114.947 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.99 128.22 32.82 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 126.915 2.086 . . . . 0.0 109.324 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.76 -23.81 30.37 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 121.812 1.675 . . . . 0.0 113.627 -168.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -48.46 79.81 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.071 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.77 -40.05 78.86 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.28 -49.36 78.12 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.205 -0.934 . . . . 0.0 113.481 171.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.03 101.15 8.5 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.685 1.231 . . . . 0.0 113.848 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.97 -37.3 13.45 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-N 113.086 -1.87 . . . . 0.0 115.515 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -54.06 -38.19 87.0 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.584 2.189 . . . . 0.0 115.042 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 39.5 mtp -76.63 -41.02 47.44 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.259 -0.9 . . . . 0.0 110.753 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -53.02 -48.48 67.53 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.216 0.531 . . . . 0.0 112.231 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.03 -25.04 61.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.855 1.662 . . . . 0.0 113.476 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.14 -48.33 44.84 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -58.74 -16.85 18.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 125.687 1.867 . . . . 0.0 115.524 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 78.7 mt -101.79 -8.26 21.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.318 1.447 . . . . 0.0 113.94 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.255 34.2 mmt180 64.32 14.73 8.95 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -170.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 88.1 mt -99.59 13.98 31.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.178 175.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -62.76 13.17 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -78.87 -33.86 45.46 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.726 0.774 . . . . 0.0 108.913 167.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -91.82 11.29 25.26 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.778 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 57.8 m -51.54 -35.14 39.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.78 -26.15 44.41 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 112.736 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -77.99 -21.34 51.0 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.194 0.521 . . . . 0.0 110.697 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' LEU . . . . . 0.407 HD23 ' HE3' ' A' ' 491' ' ' LYS . 69.8 mt -110.3 -15.79 13.88 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.904 -175.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 38.6 t -72.18 -12.5 61.2 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -72.62 1.83 34.86 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 114.603 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 4.0 m -138.78 134.09 16.96 Favored Pre-proline 0 N--CA 1.474 0.726 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.52 161.28 44.56 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.443 2.095 . . . . 0.0 111.368 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.443 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -61.94 -56.56 17.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.477 -172.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.443 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -34.08 -26.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 171.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -115.34 -27.92 7.06 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.41 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.9 tp -48.94 -55.78 10.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.673 0.749 . . . . 0.0 109.677 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.563 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.329 38.1 pt -42.97 -36.31 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 174.007 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.405 ' CD1' HG13 ' A' ' 481' ' ' ILE . 15.0 m-30 -80.12 2.19 25.03 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -178.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.16 169.65 1.52 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 122.493 1.14 . . . . 0.0 112.793 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -130.73 167.37 18.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.673 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.59 -43.6 84.76 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.31 -45.27 76.99 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.929 -0.482 . . . . 0.0 111.885 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 48.3 m -62.04 -40.53 96.08 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.848 -0.532 . . . . 0.0 110.595 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.56 -47.43 86.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.976 0.353 . . . . 0.0 111.174 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -53.0 -41.25 64.45 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 117.973 0.351 . . . . 0.0 111.702 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.15 -11.78 57.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 491' ' ' LYS . . . . . 0.407 ' HE3' HD23 ' A' ' 472' ' ' LEU . 20.9 ttpt -88.35 -12.34 43.67 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.02 16.58 6.7 Favored Glycine 0 N--CA 1.474 1.215 0 O-C-N 123.56 0.537 . . . . 0.0 113.527 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.6 t -109.04 64.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.4 -26.78 61.13 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.366 -1.288 . . . . 0.0 114.289 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.67 140.5 44.27 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.555 0.616 . . . . 0.0 111.547 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.72 -44.23 93.81 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.17 168.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.28 -66.18 3.03 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.72 -67.84 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 O-C-N 124.833 0.961 . . . . 0.0 113.13 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -46.53 -54.85 8.52 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -177.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -59.02 -36.18 74.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.62 -27.9 64.43 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 118.098 -0.954 . . . . 0.0 112.549 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.51 -49.63 68.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.3 0.954 . . . . 0.0 109.596 169.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.11 -37.31 74.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -63.27 -58.89 5.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.789 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.91 50.05 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.161 0.913 . . . . 0.0 112.348 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.563 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.57 -49.63 75.76 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 130.258 3.423 . . . . 0.0 113.203 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.81 -29.73 75.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 119.778 -1.826 . . . . 0.0 111.812 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 26.3 mt -70.51 -71.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.51 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.4 -54.97 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.303 177.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.51 ' H ' HG23 ' A' ' 509' ' ' VAL . 41.5 mt -38.93 -47.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-N 119.824 1.193 . . . . 0.0 113.528 170.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.04 -55.29 37.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.985 0.898 . . . . 0.0 109.741 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -58.7 -27.68 65.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.411 ' HE2' HD11 ' A' ' 478' ' ' ILE . 59.3 tttm -68.88 -45.3 71.34 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 122.9 0.48 . . . . 0.0 110.759 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.06 -19.31 61.2 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -88.88 -25.68 22.01 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.161 172.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.53 27.08 3.92 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.586 1.179 . . . . 0.0 113.061 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.09 -7.18 56.64 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.92 157.37 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.071 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.42 139.37 39.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.283 1.039 . . . . 0.0 109.589 174.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.57 -12.54 33.63 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 18.4 m -75.93 -15.96 60.09 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.4 75.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.359 0.981 . . . . 0.0 112.074 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--O 1.252 1.228 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.948 -176.726 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.127 0 C4'-C3'-C2' 99.099 -3.601 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 C4'-C3'-C2' 99.157 -3.543 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.764 0 O4'-C1'-N19 112.128 3.928 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.969 1 C5'-C4'-O4' 115.108 4.22 . 0.629 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C4'-C3'-C2' 99.126 -3.574 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.952 0 O4'-C1'-N19 111.673 3.473 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.755 0 C4'-C3'-C2' 98.817 -3.883 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 1 O4'-C1'-N19 112.264 4.064 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.066 1 C4'-C3'-C2' 98.382 -4.318 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.441 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.538 2.155 2 O5'-C5'-C4' 116.463 4.473 . 0.737 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . 0.441 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.402 -2.367 0 P-O3'-C3' 122.699 2.499 . 0.128 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.461 0 P-O3'-C3' 123.923 3.52 . 0.589 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.202 0 C5'-C4'-C3' 110.091 -3.606 . 0.099 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C3'-C2'-C1' 94.959 -7.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.172 1 O4'-C1'-N19 112.422 4.222 . 0.152 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.918 0 C5'-C4'-O4' 114.011 3.437 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 2 O4'-C1'-N19 113.283 5.083 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 2 C4'-C3'-C2' 98.305 -4.395 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 98.96 -3.74 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.836 0 C5'-C4'-C3' 109.634 -3.911 . 0.854 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 2 O4'-C1'-N19 112.684 4.484 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 1 C4'-C3'-C2' 98.527 -4.173 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 111.525 3.325 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -67.14 160.84 45.55 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.955 2.437 . . . . 0.0 113.235 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -142.97 162.82 34.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 127.207 2.203 . . . . 0.0 109.645 171.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 19.4 m 51.91 26.36 3.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.761 1.224 . . . . 0.0 114.225 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.13 -38.15 90.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.393 -1.442 . . . . 0.0 110.609 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 68.4 p -71.06 15.88 0.1 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.443 3.497 . . . . 0.0 115.334 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.81 134.3 23.27 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 126.175 1.79 . . . . 0.0 110.241 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.65 -24.83 25.15 Favored 'Trans proline' 0 C--N 1.345 0.373 0 CA-C-N 121.345 1.516 . . . . 0.0 113.347 -169.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -75.65 -40.77 55.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.19 -49.87 52.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.974 170.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.21 -38.98 81.23 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.205 0.457 . . . . 0.0 111.991 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -73.17 -26.33 61.14 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 171.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -118.39 83.05 1.95 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.505 0.669 . . . . 0.0 111.687 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.2 mm -49.04 -41.68 55.63 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -172.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.36 -37.1 88.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.653 2.235 . . . . 0.0 114.035 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 27.5 ttp -81.33 -30.63 33.79 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.837 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -57.06 -50.26 73.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.509 0.671 . . . . 0.0 111.387 168.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.0 tp -62.95 -27.96 69.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.666 1.186 . . . . 0.0 112.364 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 466' ' ' HIS . 0.9 OUTLIER -56.95 -7.08 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.462 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.4 m -99.26 5.62 46.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.85 -13.42 6.37 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -174.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' ARG . . . . . 0.483 ' HA ' ' NE2' ' A' ' 466' ' ' HIS 0.372 46.1 mmt-85 64.97 30.4 11.87 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 123.325 1.536 . . . . 0.0 114.029 -171.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 56.8 mt -116.57 11.54 14.79 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 111.364 -2.653 . . . . 0.0 110.632 173.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 0.606 ' CD2' ' HA ' ' A' ' 461' ' ' LYS . 2.6 p80 -69.3 20.39 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -177.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -91.7 -26.82 18.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.023 168.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -89.93 10.65 23.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.938 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -50.85 -35.6 33.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.25 -27.77 47.66 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.542 1.064 . . . . 0.0 112.57 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.96 -27.64 61.95 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.395 0.617 . . . . 0.0 110.55 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 59.6 mt -104.1 -16.75 15.17 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.126 -174.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 43.7 t -66.43 -19.35 65.77 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.84 0.08 23.23 Favored Glycine 0 CA--C 1.542 1.729 0 N-CA-C 115.756 1.063 . . . . 0.0 115.756 174.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 55.1 m -137.11 133.0 18.3 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.954 0.877 . . . . 0.0 109.376 -177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.34 160.23 49.38 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.985 1.79 . . . . 0.0 111.185 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.9 p-90 -60.35 -57.64 11.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.952 -0.547 . . . . 0.0 110.62 -171.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.7 tp -34.39 -26.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 171.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -114.33 -30.82 6.47 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.2 tp -47.93 -56.66 7.08 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.78 0.8 . . . . 0.0 109.817 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.542 HD12 HG12 ' A' ' 510' ' ' ILE 0.322 38.5 pt -43.07 -35.7 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 174.269 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.416 ' CD1' HG13 ' A' ' 481' ' ' ILE . 15.9 m-30 -80.13 0.49 31.97 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -178.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.34 170.72 0.91 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.255 1.026 . . . . 0.0 113.646 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -128.03 165.59 20.02 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.356 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -57.71 -41.4 81.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.6 -41.67 79.27 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.777 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 8.8 m -62.68 -39.39 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.436 -0.79 . . . . 0.0 110.954 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 499' ' ' ARG . 4.2 mp -54.69 -54.77 37.38 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.413 173.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.48 -29.86 70.9 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 121.193 1.815 . . . . 0.0 113.284 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -73.76 -16.93 61.15 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -88.83 -13.76 38.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.99 14.39 7.89 Favored Glycine 0 N--CA 1.476 1.351 0 O-C-N 123.662 0.601 . . . . 0.0 113.966 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -107.2 65.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 122.519 1.152 . . . . 0.0 108.156 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -38.6 77.24 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.612 -1.176 . . . . 0.0 113.174 -168.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.9 134.23 49.31 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -59.42 -41.54 89.77 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.31 -67.3 2.27 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.54 -62.32 0.35 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 166.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' ARG . . . . . 0.459 ' HA ' HD23 ' A' ' 488' ' ' LEU . 8.5 ttm180 -49.98 -58.71 4.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -59.51 -33.56 71.5 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.743 0.702 . . . . 0.0 111.921 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.85 -32.66 71.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.65 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.05 -49.64 75.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.364 0.984 . . . . 0.0 110.28 168.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.55 -34.83 74.71 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.866 0.841 . . . . 0.0 112.964 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.25 -58.83 6.27 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.148 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.09 -45.69 32.92 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.029 0.831 . . . . 0.0 112.223 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.538 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.3 m-30 -58.35 -46.67 85.83 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 129.889 3.276 . . . . 0.0 113.208 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.26 74.85 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 119.803 -1.81 . . . . 0.0 111.896 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.8 mt -69.75 -71.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.528 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.8 m -41.36 -56.83 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.676 177.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.542 HG12 HD12 ' A' ' 481' ' ' ILE . 36.7 mt -39.29 -45.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 119.694 1.133 . . . . 0.0 113.301 170.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.57 -54.64 44.77 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.6 -29.47 68.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 174.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -67.36 -44.58 78.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.648 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.19 -10.76 60.3 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.409 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.72 -21.38 13.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.453 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.3 t70 71.73 25.34 3.25 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.308 1.005 . . . . 0.0 113.193 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.57 -6.7 56.26 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 45.1 mt -79.93 157.06 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 122.553 1.168 . . . . 0.0 109.677 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -75.69 140.89 42.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.82 1.295 . . . . 0.0 110.468 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' A' ' 523' ' ' TYR 0.263 15.7 tpt85 -50.95 -28.46 9.85 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 112.51 -2.132 . . . . 0.0 113.266 170.608 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 22.2 m -72.78 -14.64 61.57 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.88 60.67 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.691 1.132 . . . . 0.0 111.513 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 520' ' ' ARG . 13.1 m-30 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.98 -173.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 99.436 -3.264 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 0 C4'-C3'-C2' 99.268 -3.432 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.065 0 C5'-C4'-O4' 114.118 3.513 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.088 1 C5'-C4'-C3' 108.563 -4.624 . 0.517 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C4'-C3'-C2' 100.008 -2.692 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.881 0 C5'-C4'-C3' 109.867 -3.756 . 0.829 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 0 O4'-C1'-N19 111.204 3.004 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O4'-C1'-N19 111.669 3.469 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.153 1 C4'-C3'-C2' 98.312 -4.388 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 2 O5'-C5'-C4' 117.988 5.563 . 0.739 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.472 0 P-O3'-C3' 123.867 3.472 . 0.088 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.664 1 O5'-C5'-C4' 116.71 4.65 . 0.422 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 0 C5'-C4'-C3' 110.378 -3.415 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 1 C3'-C2'-C1' 96.225 -5.861 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.51 0 O4'-C1'-N19 111.747 3.547 . 0.04 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.859 0 C5'-C4'-O4' 113.961 3.4 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 2 O4'-C1'-N19 113.24 5.04 . 0.849 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.025 2 C4'-C3'-C2' 98.327 -4.373 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.995 2 O4'-C1'-N19 113.021 4.821 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.013 1 C4'-C3'-C2' 98.418 -4.282 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 2 O4'-C1'-N19 112.341 4.141 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.985 1 C4'-C3'-C2' 98.696 -4.004 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 O4'-C1'-N19 111.66 3.46 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -55.1 -14.89 9.42 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 124.569 3.513 . . . . 0.0 117.314 175.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm 58.22 -80.05 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 129.092 2.957 . . . . 0.0 113.627 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 55.4 p -148.39 88.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.143 1.777 . . . . 0.0 110.446 -174.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.36 -24.34 67.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.296 1.038 . . . . 0.0 111.997 169.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 16.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 1 C-N-CA 133.41 4.684 . . . . 0.0 114.277 -174.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.25 121.32 63.99 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 126.446 1.899 . . . . 0.0 109.129 -171.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.44 -22.52 38.94 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.161 1.907 . . . . 0.0 112.908 -169.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -71.47 -53.43 13.98 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -60.26 -47.25 86.79 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.663 175.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.26 -41.49 88.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -59.01 -50.55 73.68 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.43 -0.794 . . . . 0.0 112.833 170.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.25 98.35 7.06 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.952 1.358 . . . . 0.0 113.54 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.1 mm -45.43 -39.41 10.01 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.273 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.95 -44.73 26.84 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.695 2.264 . . . . 0.0 115.577 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.6 mtp -80.25 -31.7 38.43 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.838 0.745 . . . . 0.0 111.027 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -52.12 -49.86 62.83 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.51 -0.744 . . . . 0.0 112.531 170.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.01 -28.33 65.41 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 173.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -53.34 -46.96 69.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.137 1.335 . . . . 0.0 112.98 173.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.9 m -65.15 -2.3 2.8 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.5 mt -120.44 -2.88 9.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.245 1.818 . . . . 0.0 114.293 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 62.19 13.26 5.7 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -169.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 92.1 mt -95.87 10.63 36.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.411 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -66.83 13.78 0.05 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -88.84 -28.44 20.4 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 171.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -99.7 6.44 45.57 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.024 -175.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 56.3 m -49.73 -36.12 24.48 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.52 -31.47 47.58 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.57 -17.87 63.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.121 174.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 46.4 mt -112.54 -13.27 13.35 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.762 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.2 t -67.76 -21.0 65.29 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -68.21 -0.57 16.33 Favored Glycine 0 CA--C 1.54 1.653 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.789 170.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.4 m -134.37 128.83 19.44 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 117.854 0.827 . . . . 0.0 109.506 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.14 161.53 44.37 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.269 1.98 . . . . 0.0 111.231 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 32.2 p-90 -61.05 -56.94 15.08 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.481 -171.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.6 tp -34.36 -27.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 171.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -109.4 -34.55 6.5 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.993 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.8 tp -46.16 -57.61 4.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 124.132 0.895 . . . . 0.0 110.49 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.701 HG22 HG21 ' A' ' 509' ' ' VAL 0.332 37.3 pt -42.66 -35.7 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 175.184 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -81.43 2.03 30.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -59.28 167.94 1.64 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.418 1.104 . . . . 0.0 113.229 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -127.78 164.77 21.44 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.027 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -58.74 -38.79 79.18 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.21 -41.8 76.61 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 23.6 m -62.73 -39.76 95.07 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 120.973 -1.08 . . . . 0.0 110.731 173.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -55.31 29.39 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.025 174.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -65.01 -28.1 69.27 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 121.456 1.935 . . . . 0.0 114.051 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.42 -11.57 59.91 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.945 -1.097 . . . . 0.0 113.658 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.01 -12.76 21.57 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 119.79 11.5 7.07 Favored Glycine 0 N--CA 1.477 1.4 0 O-C-N 123.282 0.364 . . . . 0.0 113.919 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.13 62.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.683 1.23 . . . . 0.0 108.388 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -32.97 74.73 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -168.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.67 144.18 56.53 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.451 0.643 . . . . 0.0 111.122 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -35.1 76.64 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.62 -0.675 . . . . 0.0 111.05 169.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.44 -63.61 4.54 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.7 -68.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.946 1.027 . . . . 0.0 113.578 168.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -55.87 -45.29 78.56 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.993 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.23 -34.17 75.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.988 0.813 . . . . 0.0 112.117 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.74 -34.93 77.81 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.927 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.62 -51.69 64.15 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.658 0.663 . . . . 0.0 110.021 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -36.49 73.83 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt -63.96 -56.65 13.6 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.35 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -52.23 -45.5 65.32 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 122.426 1.107 . . . . 0.0 112.351 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.569 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.2 m-30 -54.69 -37.66 66.08 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 128.356 2.662 . . . . 0.0 112.608 169.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.23 -32.31 75.99 Favored Glycine 0 CA--C 1.524 0.605 0 O-C-N 119.753 -1.842 . . . . 0.0 112.549 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 2.3 mp -63.31 -72.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 119.709 1.754 . . . . 0.0 109.201 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.701 HG21 HG22 ' A' ' 481' ' ' ILE . 4.2 m -41.54 -60.19 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-O 118.013 -0.994 . . . . 0.0 113.369 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 510' ' ' ILE . . . . . 0.653 ' H ' HG23 ' A' ' 509' ' ' VAL . 27.6 mt -38.55 -46.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 171.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.46 -56.85 16.45 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.18 -28.69 65.01 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.418 ' HE2' HD11 ' A' ' 478' ' ' ILE . 57.5 tttm -70.11 -42.74 72.24 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 122.647 0.379 . . . . 0.0 110.273 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.46 -21.76 59.44 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -83.73 -22.18 32.06 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.889 171.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.2 t70 73.96 22.88 2.32 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 124.925 1.391 . . . . 0.0 113.058 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -3.95 45.23 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.0 mm -57.25 143.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.716 0.77 . . . . 0.0 109.939 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 521' ' ' SER . 12.8 m-20 -69.0 3.29 2.11 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 177.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.294 14.5 mmt180 47.29 7.64 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 118.831 2.9 . . . . 0.0 118.831 -167.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 521' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 519' ' ' ASP . 66.8 m -104.73 -12.52 16.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.633 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.32 -27.43 67.15 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 172.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--O 1.255 1.375 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -175.202 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.225 -3.475 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.877 0 C4'-C3'-C2' 98.808 -3.892 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.851 1 C4'-C3'-C2' 98.414 -4.286 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.975 0 C5'-C4'-O4' 114.306 3.647 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C5'-C4'-O4' 113.136 2.811 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 C5'-C4'-C3' 110.148 -3.568 . 0.85 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 0 C4'-C3'-C2' 99.58 -3.12 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 112.113 3.913 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 532' ' ' ' U' . . . . . 0.46 " H2'" ' C6 ' ' B' ' 533' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.917 2 O4'-C1'-N19 112.627 4.427 . 0.864 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 533' ' ' ' C' . . . . . 0.46 ' C6 ' " H2'" ' B' ' 532' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.223 2 O5'-C5'-C4' 117.646 5.319 . 0.582 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C3'-C2'-C1' 99.409 -2.324 . 0.054 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.454 0 C5'-C4'-C3' 111.634 -2.577 . 0.35 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 C5'-C4'-C3' 109.96 -3.693 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 2 C3'-C2'-C1' 94.856 -7.382 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 1 O4'-C1'-N19 112.81 4.61 . 0.115 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.839 0 C5'-C4'-O4' 113.905 3.361 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 2 O4'-C1'-N19 113.143 4.943 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 2 C4'-C3'-C2' 98.413 -4.287 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 O4'-C1'-N19 112.08 3.88 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.825 0 C5'-C4'-C3' 109.625 -3.917 . 0.945 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 1 C4'-C3'-C2' 98.65 -4.05 . 0.891 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 1 C4'-C3'-C2' 98.537 -4.163 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.828 3.628 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 21.6 mt . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.4 p -68.63 27.26 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 130.734 3.614 . . . . 0.0 113.645 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -108.03 126.78 28.96 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 126.974 2.11 . . . . 0.0 108.985 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -70.44 -24.84 26.12 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 121.924 1.749 . . . . 0.0 113.235 -168.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.06 -41.8 61.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -48.68 64.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 171.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.8 -43.12 90.46 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.475 0.58 . . . . 0.0 112.092 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -68.11 -29.68 68.66 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.36 82.99 1.84 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.291 0.567 . . . . 0.0 111.827 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 33.8 mm -46.11 -42.71 28.62 Favored Pre-proline 0 N--CA 1.486 1.341 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.56 -41.74 59.23 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 122.558 2.172 . . . . 0.0 114.255 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.6 ttp -84.12 -26.0 29.25 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.744 -0.598 . . . . 0.0 111.883 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -58.64 -46.7 86.56 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.574 0.702 . . . . 0.0 110.161 166.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.27 -25.76 59.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.057 1.743 . . . . 0.0 114.385 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -54.42 -47.82 72.36 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.4 m -64.82 -2.7 2.71 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.3 mt -119.86 2.04 11.03 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.561 1.945 . . . . 0.0 113.653 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 57.99 16.39 3.72 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 20.4 mt -104.33 7.1 35.67 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -60.08 6.15 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -86.23 -28.52 23.79 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.596 0.712 . . . . 0.0 109.984 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -91.96 12.3 22.23 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.877 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 80.5 p -57.79 -32.05 67.15 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.951 -1.093 . . . . 0.0 113.776 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.95 -25.95 40.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.376 0.989 . . . . 0.0 112.329 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.79 -28.02 60.56 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.902 0.858 . . . . 0.0 111.271 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.06 -13.08 18.36 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.142 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 21.6 t -69.95 174.96 4.74 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.567 0.699 . . . . 0.0 111.343 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.07 8.42 49.5 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.534 -0.729 . . . . 0.0 113.168 -168.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 44.3 m -139.29 121.05 9.98 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.94 160.76 46.84 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.108 1.872 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.3 p-90 -61.2 -56.51 19.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.276 -173.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.42 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -34.17 -26.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -113.05 -38.76 4.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.757 0.423 . . . . 0.0 111.903 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 6.6 tp -45.51 -60.14 2.34 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.524 0.515 . . . . 0.0 109.723 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.563 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.276 38.8 pt -41.13 -36.39 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 176.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.408 ' CD1' HG13 ' A' ' 481' ' ' ILE . 11.7 m-30 -74.77 -6.13 47.19 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 155.34 0.97 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 124.458 2.075 . . . . 0.0 115.493 172.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -113.27 166.68 11.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 109.446 -3.525 . . . . 0.0 111.413 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.41 -41.14 72.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.58 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.827 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 5.7 m -58.2 -44.98 88.37 Favored 'General case' 0 C--O 1.223 -0.322 0 O-C-N 121.44 -0.788 . . . . 0.0 110.689 173.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -48.49 81.45 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.526 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -64.43 -27.95 69.34 Favored 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 118.81 -2.431 . . . . 0.0 113.086 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -78.63 -19.53 52.44 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -74.4 -31.68 62.42 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.289 0.495 . . . . 0.0 110.926 172.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 122.27 14.57 4.45 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.853 0.721 . . . . 0.0 113.662 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -102.39 63.87 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 122.188 0.994 . . . . 0.0 108.48 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.17 -29.64 64.21 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -168.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.69 139.71 58.8 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.863 0.756 . . . . 0.0 111.201 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.64 -44.14 94.74 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.121 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -63.05 -59.49 8.98 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.16 -69.46 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 167.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.01 -45.67 79.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -57.46 -38.96 75.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.697 0.399 . . . . 0.0 111.645 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.83 -25.22 56.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.123 -0.942 . . . . 0.0 112.243 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.78 -48.98 74.72 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 119.631 1.105 . . . . 0.0 109.114 167.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.8 mt -57.42 -37.48 72.84 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -62.62 -60.11 3.98 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.38 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.54 -47.4 39.26 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.078 0.861 . . . . 0.0 112.194 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.563 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.7 m-30 -58.15 -47.05 84.56 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 129.347 3.059 . . . . 0.0 113.911 174.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.54 -29.66 75.77 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 119.877 -1.765 . . . . 0.0 111.716 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.5 mt -70.73 -70.69 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.551 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.7 m -42.08 -56.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.564 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.551 ' H ' HG23 ' A' ' 509' ' ' VAL . 35.7 mt -39.8 -44.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 CA-C-N 119.645 1.111 . . . . 0.0 113.348 170.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.38 -55.12 39.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.95 -28.58 67.76 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.698 1.369 . . . . 0.0 114.698 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -67.08 -45.45 77.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.512 0.672 . . . . 0.0 110.703 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -71.04 -12.08 61.32 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.493 -1.231 . . . . 0.0 112.407 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -102.66 -19.9 14.62 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.234 -0.889 . . . . 0.0 112.096 174.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.8 t70 77.57 18.74 1.28 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 124.686 1.241 . . . . 0.0 113.455 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.3 mp -76.12 -10.02 59.08 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 36.3 mt -79.68 152.86 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 122.39 1.09 . . . . 0.0 110.227 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.45 147.51 32.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.523 1.154 . . . . 0.0 110.141 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 41.9 mmt-85 -63.04 -15.37 56.27 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.51 -1.223 . . . . 0.0 114.096 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 16.3 m -76.7 -16.72 59.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.9 77.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.361 0.982 . . . . 0.0 111.833 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.253 1.279 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.176 -175.679 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . 0.474 HG21 ' CG ' ' A' ' 512' ' ' TYR . 67.7 p -73.5 22.37 0.08 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.832 2.853 . . . . 0.0 113.085 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.18 125.98 45.99 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 127.726 2.411 . . . . 0.0 108.45 -170.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.83 -25.19 33.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 121.718 1.612 . . . . 0.0 113.262 -169.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.26 -43.19 57.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.627 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.75 -49.09 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.373 0.421 . . . . 0.0 110.645 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 60.3 mt -57.73 -43.51 85.35 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.24 0.473 . . . . 0.0 111.931 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -70.44 -25.68 63.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -118.36 82.74 1.89 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.513 0.673 . . . . 0.0 111.833 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 31.5 mm -46.67 -41.6 27.39 Favored Pre-proline 0 N--CA 1.486 1.347 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.73 -40.95 77.91 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.42 2.08 . . . . 0.0 113.876 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.2 ttp -82.38 -26.17 33.1 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.721 -0.612 . . . . 0.0 111.815 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -60.11 -46.42 89.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.749 -0.594 . . . . 0.0 110.394 166.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.5 -30.39 64.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.795 1.238 . . . . 0.0 113.583 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -53.2 -43.53 67.27 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 167.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.1 m -66.1 -3.27 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.57 -6.18 12.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.203 1.801 . . . . 0.0 113.218 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 60.51 25.34 14.98 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -170.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 69.8 mt -109.66 15.72 22.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.731 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -62.95 19.07 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -80.63 -25.48 38.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.375 0.607 . . . . 0.0 109.604 170.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.7 16.31 21.48 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.853 -1.521 . . . . 0.0 111.5 -171.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 65.1 m -51.63 -49.26 62.61 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.26 -24.36 60.45 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.005 0.821 . . . . 0.0 112.343 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.92 -21.52 54.74 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.377 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.5 mt -108.89 -18.56 13.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.858 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 37.6 m -68.71 -14.05 62.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.72 -0.78 42.76 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.893 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -132.42 130.41 21.84 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 158.63 54.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 121.97 1.78 . . . . 0.0 111.192 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.68 -54.36 46.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.464 -171.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.8 tp -35.0 -27.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -116.9 -29.89 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.932 0.493 . . . . 0.0 111.98 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 12.2 tp -48.68 -55.28 11.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.908 0.861 . . . . 0.0 110.683 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.572 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.315 40.6 pt -42.39 -33.18 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 173.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -85.52 5.63 30.59 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.98 169.69 1.42 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.142 0.972 . . . . 0.0 112.576 171.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.96 164.92 23.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.882 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -51.76 -48.07 63.87 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.123 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.59 -45.77 88.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.896 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 55.8 m -64.37 -36.64 84.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 118.69 -0.671 . . . . 0.0 111.091 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -49.8 75.69 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.976 0.807 . . . . 0.0 110.965 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.19 -37.72 67.43 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 122.013 -0.43 . . . . 0.0 112.065 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -87.26 -5.56 58.88 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.39 -1.444 . . . . 0.0 114.462 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -98.52 -6.78 29.52 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 112.52 11.47 14.98 Favored Glycine 0 N--CA 1.477 1.392 0 CA-C-N 117.679 0.218 . . . . 0.0 113.224 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 4.7 t -109.92 61.37 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.401 ' H ' HD22 ' A' ' 494' ' ' LEU . 0.8 OUTLIER -63.52 -32.13 73.5 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.813 -167.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.24 139.59 46.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.649 0.738 . . . . 0.0 112.522 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.47 -46.72 81.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.564 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.14 -61.3 7.58 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.06 -67.58 0.13 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 168.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.19 -36.58 84.09 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -60.61 -33.42 72.73 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.811 1.187 . . . . 0.0 112.357 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -75.94 -25.38 55.87 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.087 -0.959 . . . . 0.0 112.71 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.76 -47.84 76.69 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.362 0.983 . . . . 0.0 109.022 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.07 -37.79 77.91 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.005 0.82 . . . . 0.0 113.068 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -62.43 -58.23 8.37 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.517 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.97 43.24 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.129 0.893 . . . . 0.0 112.391 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.572 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.1 m-30 -57.83 -47.1 83.64 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 129.754 3.222 . . . . 0.0 113.81 173.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.07 -29.67 75.96 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 119.73 -1.856 . . . . 0.0 111.887 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.2 mt -70.39 -71.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.567 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.4 m -41.39 -56.53 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.567 ' H ' HG23 ' A' ' 509' ' ' VAL . 39.9 mt -39.11 -45.88 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-N 119.423 1.011 . . . . 0.0 113.186 170.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.1 -55.22 37.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . 0.474 ' CG ' HG21 ' A' ' 448' ' ' THR . 8.1 m-85 -59.71 -27.43 66.44 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -70.99 -42.12 70.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.27 0.557 . . . . 0.0 110.945 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.24 -13.84 62.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.44 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -100.87 -21.13 15.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.482 -0.77 . . . . 0.0 112.032 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.99 22.64 2.35 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 113.435 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.36 -11.02 59.92 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.8 mt -73.68 153.32 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 122.325 1.059 . . . . 0.0 110.606 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.0 148.05 34.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.692 1.234 . . . . 0.0 110.942 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -64.35 -17.85 64.1 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.182 -1.372 . . . . 0.0 114.522 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 75.6 m -81.86 -12.49 58.45 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.74 -33.91 74.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.778 1.172 . . . . 0.0 111.771 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.254 1.325 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.185 -175.844 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 120.929 0.395 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 36.6 p -71.29 60.28 0.29 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 129.059 2.944 . . . . 0.0 112.74 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -134.9 126.99 18.11 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 127.297 2.239 . . . . 0.0 108.756 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.3 -24.68 26.93 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.801 1.668 . . . . 0.0 113.131 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -73.23 -43.99 60.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.2 -51.38 64.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.175 171.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.05 -39.37 78.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 454' ' ' LYS . 1.9 tpmt? -59.48 -49.66 76.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.586 -0.696 . . . . 0.0 112.764 173.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.52 97.85 6.87 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 32.0 mm -43.26 -43.0 9.79 Favored Pre-proline 0 N--CA 1.483 1.202 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.2 -42.16 54.96 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.211 1.94 . . . . 0.0 114.158 173.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 17.7 ttp -81.41 -30.71 33.49 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 111.656 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -56.1 -45.15 79.54 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.836 0.744 . . . . 0.0 110.721 166.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.05 -26.9 59.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.98 1.712 . . . . 0.0 114.604 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -54.09 -46.87 72.16 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 168.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.1 m -63.28 -0.67 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 174.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.51 -3.8 8.82 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.963 1.705 . . . . 0.0 114.957 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 62.48 15.97 8.29 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -171.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.0 mt -98.41 1.82 47.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.247 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -62.27 8.42 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -79.52 -35.29 40.25 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.41 -0.806 . . . . 0.0 109.274 166.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -92.36 14.21 17.17 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.163 -172.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 37.2 m -53.09 -32.11 45.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.49 -32.19 37.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.29 0.95 . . . . 0.0 113.429 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.9 -26.81 66.17 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.835 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.94 -13.43 16.91 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 28.4 t -69.03 174.33 4.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.591 0.71 . . . . 0.0 111.599 168.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 69.75 5.56 51.96 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 121.597 -0.689 . . . . 0.0 113.375 -168.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.0 m -136.68 107.22 9.09 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -63.17 156.71 53.66 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.469 2.113 . . . . 0.0 110.469 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -57.31 -50.41 73.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.457 -170.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tp -36.08 -25.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -117.08 -30.4 5.68 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.321 0.648 . . . . 0.0 111.55 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.4 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 10.6 tp -51.26 -59.43 4.22 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.508 HD12 HG12 ' A' ' 510' ' ' ILE 0.315 31.0 pt -42.76 -36.48 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 173.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.416 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.6 m-30 -77.87 8.58 4.43 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 177.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 175.01 0.12 Allowed 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 123.415 1.579 . . . . 0.0 112.955 169.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -138.78 170.17 16.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 112.618 -2.083 . . . . 0.0 108.225 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.34 -40.05 81.13 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.14 -42.33 80.3 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.6 m -61.17 -42.6 98.86 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 110.71 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.34 -48.4 81.47 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.053 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.74 -30.21 71.26 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 122.996 2.634 . . . . 0.0 112.742 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.57 -17.76 55.65 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.46 -31.41 62.23 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.501 0.592 . . . . 0.0 111.09 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 125.1 14.5 3.32 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 123.84 0.713 . . . . 0.0 113.827 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 18.1 t -102.5 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 121.97 0.89 . . . . 0.0 108.714 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -25.91 57.66 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.1 138.29 56.99 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.276 0.56 . . . . 0.0 111.224 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.05 -47.86 84.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.607 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.07 -62.15 6.37 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.94 -66.08 0.13 Allowed 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.916 1.009 . . . . 0.0 113.372 167.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.17 -54.12 28.34 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -55.9 -36.24 67.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.15 -32.19 71.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.549 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.39 -49.12 70.5 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.66 0.663 . . . . 0.0 109.865 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.01 -38.51 70.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -65.19 -59.22 4.32 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.141 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.79 -49.24 39.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 124.142 0.901 . . . . 0.0 112.087 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.503 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.1 m-30 -56.08 -45.78 79.26 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 129.644 3.177 . . . . 0.0 113.729 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.74 -29.98 75.55 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 119.697 -1.877 . . . . 0.0 111.983 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -71.73 -68.56 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.6 m -41.15 -57.53 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 118.907 -1.117 . . . . 0.0 113.71 175.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.57 ' H ' HG23 ' A' ' 509' ' ' VAL . 34.9 mt -39.41 -43.99 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 CA-C-N 119.902 1.228 . . . . 0.0 113.527 170.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -55.56 33.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.99 -25.66 63.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 172.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -72.79 -41.52 64.89 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.423 0.63 . . . . 0.0 110.899 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -70.92 -19.0 62.63 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.002 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -91.51 -22.85 20.17 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.782 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.8 t70 74.45 21.04 2.4 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.621 1.201 . . . . 0.0 113.728 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.99 -8.59 57.66 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.6 mt -77.42 148.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 122.629 1.204 . . . . 0.0 110.303 -176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -81.36 142.62 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.56 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 35.1 mmt-85 -62.52 -13.66 33.15 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 114.568 -1.196 . . . . 0.0 114.159 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 23.8 m -77.92 -16.29 58.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.16 79.16 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.604 0.638 . . . . 0.0 111.743 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--O 1.254 1.302 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.491 -176.6 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.223 -0.309 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 79.4 p -66.44 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.616 3.166 . . . . 0.0 114.345 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -102.3 127.16 31.26 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 126.844 2.058 . . . . 0.0 109.562 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.48 -28.34 32.34 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 121.888 1.726 . . . . 0.0 112.585 -168.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -72.31 -39.86 67.92 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.811 0.444 . . . . 0.0 110.109 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.37 -49.6 47.5 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.34 -38.03 70.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.548 0.574 . . . . 0.0 112.548 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -65.03 -53.24 49.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.167 -0.958 . . . . 0.0 111.924 168.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -93.72 82.6 4.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.177 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.6 mm -45.46 -43.12 23.2 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -175.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.49 -40.58 78.21 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.498 2.132 . . . . 0.0 114.691 172.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.3 ttp -82.18 -26.61 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.594 -0.691 . . . . 0.0 111.677 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.607 -0.683 . . . . 0.0 110.173 166.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.39 -25.67 61.58 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.089 1.356 . . . . 0.0 114.265 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -55.96 -45.14 78.95 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 167.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 8.8 t -60.99 -10.62 6.1 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 173.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 71.2 mt -115.06 2.89 14.3 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.315 1.846 . . . . 0.0 114.026 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 56.89 21.79 6.48 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.66 12.03 19.66 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.551 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -61.59 10.79 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -83.88 -28.49 27.91 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -96.12 10.92 36.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.86 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 51.1 m -53.92 -34.72 60.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -81.93 -27.32 33.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.45 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.347 0.594 . . . . 0.0 110.439 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 58.9 mt -97.11 -9.14 28.57 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.354 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.1 t -68.37 170.17 9.36 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.556 0.693 . . . . 0.0 111.006 167.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 70.89 6.37 59.71 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.333 -0.854 . . . . 0.0 113.65 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 38.0 m -134.76 120.7 14.49 Favored Pre-proline 0 N--CA 1.471 0.593 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.78 158.12 58.01 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.388 2.059 . . . . 0.0 110.564 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.431 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 39.3 p-90 -62.14 -54.05 46.67 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.851 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.431 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.0 tp -34.3 -25.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 170.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -118.96 -28.9 5.43 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 483' ' ' LEU . 12.5 tp -49.27 -54.53 16.4 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.712 0.768 . . . . 0.0 110.232 175.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.575 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.32 37.0 pt -42.31 -35.26 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 173.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -84.59 9.5 13.53 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.0 OUTLIER -58.92 170.08 0.9 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.484 1.135 . . . . 0.0 111.956 169.5 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -132.73 164.86 25.84 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.46 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -57.82 -39.34 77.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.18 -43.97 69.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 38.1 m -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.016 -1.052 . . . . 0.0 110.447 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.2 mt -56.71 -53.63 55.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.945 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.92 -31.91 73.09 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 122.174 2.261 . . . . 0.0 113.709 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -77.76 -13.07 60.0 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.909 -1.119 . . . . 0.0 113.658 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -93.7 -15.87 24.82 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 121.85 12.91 5.24 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 114.222 0.449 . . . . 0.0 114.222 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 13.2 t -106.96 64.12 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 122.643 1.211 . . . . 0.0 108.888 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.37 -34.44 76.07 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.2 140.86 58.21 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.821 0.819 . . . . 0.0 110.861 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.8 -41.5 99.31 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.061 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.49 -62.66 5.37 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.84 -68.91 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 169.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -55.05 -45.62 75.27 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -62.2 -32.73 73.41 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.349 0.977 . . . . 0.0 112.473 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -25.58 60.51 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.584 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.91 -49.02 61.7 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 119.523 1.056 . . . . 0.0 109.137 168.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.91 -37.25 76.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.15 0.886 . . . . 0.0 113.142 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.49 -58.35 7.91 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.341 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.4 39.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.924 0.765 . . . . 0.0 112.001 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.575 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.9 m-30 -54.79 -52.07 63.78 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 129.924 3.29 . . . . 0.0 113.195 173.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.22 -29.16 72.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 119.865 -1.772 . . . . 0.0 112.021 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 22.7 mt -71.03 -71.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.519 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.5 m -41.86 -54.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 118.869 -1.133 . . . . 0.0 113.137 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.539 HG12 HD12 ' A' ' 481' ' ' ILE . 42.5 mt -38.05 -48.86 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 CA-C-N 119.069 0.85 . . . . 0.0 113.219 170.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -58.32 -55.47 34.6 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.283 0.989 . . . . 0.0 109.444 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -57.35 -29.16 63.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -31.13 58.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.199 0.6 . . . . 0.0 112.511 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.73 -23.0 29.48 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -81.03 -22.54 39.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 118.904 -0.569 . . . . 0.0 111.62 171.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 73.74 26.04 1.91 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.917 1.386 . . . . 0.0 112.53 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 mp -76.52 -5.96 49.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.465 172.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 9.5 mm -55.58 143.76 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.877 0.846 . . . . 0.0 110.528 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 521' ' ' SER . 9.1 m-20 -69.13 7.18 0.78 Allowed 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.277 18.3 mmt85 51.02 -0.39 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 119.123 3.008 . . . . 0.0 119.123 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . 0.436 ' H ' ' C ' ' A' ' 519' ' ' ASP . 44.0 m -98.97 -11.62 21.39 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.905 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.28 62.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.253 1.289 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.453 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.5 p -65.99 16.42 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 131.304 3.842 . . . . 0.0 114.753 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.18 127.59 41.93 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.742 2.017 . . . . 0.0 109.696 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -65.25 -32.91 50.64 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 121.799 1.666 . . . . 0.0 113.567 -169.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -71.95 -40.28 68.79 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.153 0.283 . . . . 0.0 110.681 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -48.82 68.09 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 169.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 58.2 mt -58.04 -45.67 86.59 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -70.76 -20.97 62.57 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.494 -1.379 . . . . 0.0 114.654 172.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -120.84 81.97 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.677 0.672 . . . . 0.0 111.855 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.8 mm -47.28 -41.18 30.5 Favored Pre-proline 0 N--CA 1.486 1.367 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -174.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.0 -42.34 59.05 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.246 1.964 . . . . 0.0 114.306 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.4 ttp -82.53 -26.57 32.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.377 0.535 . . . . 0.0 111.593 -176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -58.52 -46.83 85.95 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.321 0.581 . . . . 0.0 110.637 166.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.49 -27.09 60.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.772 1.629 . . . . 0.0 114.002 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -53.53 -47.11 70.27 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 168.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 25.0 m -62.02 -5.08 1.93 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 48.5 mt -117.99 -3.04 11.17 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.089 1.756 . . . . 0.0 114.171 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 59.85 21.03 9.93 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 59.4 mt -104.22 8.64 36.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.063 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -63.24 18.35 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -81.61 -25.04 36.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 168.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.34 14.08 22.75 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.95 1.406 . . . . 0.0 111.058 -172.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 18.5 p -56.6 -38.8 72.54 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -74.35 -30.0 61.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 119.065 0.848 . . . . 0.0 113.208 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.02 -19.08 61.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.258 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.1 mt -111.87 -20.23 12.11 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.08 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.0 t -61.83 -19.52 62.65 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.51 -3.61 48.72 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 114.775 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 51.9 m -125.96 129.57 24.24 Favored Pre-proline 0 N--CA 1.476 0.843 0 CA-C-N 117.5 0.65 . . . . 0.0 109.502 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.78 158.03 54.01 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 111.222 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.411 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.47 -54.86 40.51 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.476 -172.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.53 -26.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 172.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -117.17 -31.8 5.21 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.218 0.463 . . . . 0.0 111.929 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.6 tp -45.51 -57.23 4.28 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.495 0.664 . . . . 0.0 110.822 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.569 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.31 41.3 pt -42.26 -33.98 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 175.287 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -84.64 7.59 19.77 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.59 171.01 0.34 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.499 1.142 . . . . 0.0 113.348 171.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -131.53 166.26 21.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.167 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.88 -42.32 84.37 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.47 -45.33 76.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.7 m -62.02 -38.55 89.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.661 -0.649 . . . . 0.0 111.215 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.94 -48.19 82.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.932 0.333 . . . . 0.0 110.913 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.54 -42.27 74.37 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.88 -0.512 . . . . 0.0 112.084 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -78.0 -14.89 59.36 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.093 -1.004 . . . . 0.0 113.684 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -92.74 -12.79 30.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.49 10.52 8.58 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.288 0.475 . . . . 0.0 114.288 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 8.2 t -107.13 62.64 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.24 -28.61 70.15 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -166.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -75.63 145.42 41.09 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.9 0.857 . . . . 0.0 113.098 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.94 -42.46 89.98 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.448 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.91 -63.49 4.9 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.499 -0.612 . . . . 0.0 111.729 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.48 -66.9 0.12 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -55.9 -44.12 77.93 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -173.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.84 -35.51 76.72 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.762 1.619 . . . . 0.0 112.704 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -68.32 -31.45 70.87 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.888 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.3 -49.19 74.98 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.923 0.783 . . . . 0.0 110.436 169.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.43 -36.71 74.05 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -61.48 -61.04 2.81 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.28 170.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.97 -48.89 42.84 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 122.111 0.958 . . . . 0.0 112.236 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.569 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.9 m-30 -54.81 -46.06 74.47 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 129.005 2.922 . . . . 0.0 113.409 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.23 77.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 119.824 -1.798 . . . . 0.0 111.847 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.16 -70.17 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.544 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.77 -56.26 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 C-N-CA 118.772 -1.171 . . . . 0.0 113.914 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.55 HG12 HD12 ' A' ' 481' ' ' ILE . 37.9 mt -38.87 -44.33 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 CA-C-N 119.459 1.027 . . . . 0.0 113.33 170.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.23 -53.01 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.002 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.13 -28.97 69.49 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -70.12 -40.11 75.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.492 0.587 . . . . 0.0 111.5 174.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.76 -13.57 61.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.714 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -98.08 -25.63 14.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.762 173.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 18.9 t70 75.2 25.68 1.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.599 1.187 . . . . 0.0 113.38 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.3 mp -81.83 -7.62 59.62 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.79 156.27 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 122.166 0.984 . . . . 0.0 110.722 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -84.3 143.96 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.379 1.085 . . . . 0.0 110.719 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -62.06 -17.83 58.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.508 -1.223 . . . . 0.0 113.966 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -77.19 -13.75 59.89 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.2 71.6 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.148 0.886 . . . . 0.0 111.878 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.252 1.199 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.178 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 81.3 p -66.19 32.38 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.929 2.892 . . . . 0.0 114.244 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -112.9 128.28 25.8 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 127.044 2.137 . . . . 0.0 109.86 -173.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.77 -25.17 24.23 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.8 1.667 . . . . 0.0 113.174 -169.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -74.12 -41.2 61.98 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.29 -50.24 54.95 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.458 0.473 . . . . 0.0 110.478 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.05 -44.15 82.7 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.278 0.49 . . . . 0.0 112.142 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -68.5 -26.59 65.54 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -119.52 83.59 2.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.415 0.626 . . . . 0.0 111.74 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 23.8 mm -48.06 -41.52 42.52 Favored Pre-proline 0 N--CA 1.488 1.456 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.61 -38.3 90.77 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.483 2.122 . . . . 0.0 114.519 172.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 28.0 ttp -80.34 -31.68 37.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.478 0.311 . . . . 0.0 111.805 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.243 0.544 . . . . 0.0 111.32 168.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.17 -23.5 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.186 1.394 . . . . 0.0 113.492 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -51.44 -49.82 60.94 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 169.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -63.78 -14.81 55.93 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.85 -3.3 32.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.35 1.46 . . . . 0.0 113.179 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 63.51 19.43 11.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.87 16.68 18.34 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.88 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -63.75 19.78 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -80.7 -35.57 33.39 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 166.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -95.21 12.19 29.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.563 -172.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 24.2 p -54.75 -37.36 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.14 -24.92 43.0 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.03 0.832 . . . . 0.0 112.377 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.41 -21.23 56.26 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 73.7 mt -108.35 -14.96 14.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.034 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 19.4 t -64.47 -16.23 62.11 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -73.39 2.66 36.43 Favored Glycine 0 CA--C 1.541 1.664 0 N-CA-C 114.892 0.717 . . . . 0.0 114.892 170.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 49.7 m -136.87 115.18 10.25 Favored Pre-proline 0 N--CA 1.473 0.704 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -62.57 155.01 61.03 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.127 1.884 . . . . 0.0 110.718 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -55.38 -50.38 69.87 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.051 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.3 tp -35.38 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -117.22 -28.97 6.03 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.827 0.705 . . . . 0.0 111.743 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.43 -57.14 8.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.67 0.748 . . . . 0.0 109.764 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.579 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 33.2 pt -42.24 -34.93 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 172.338 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.434 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.2 m-30 -78.83 1.92 21.72 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.111 -1.618 . . . . 0.0 114.993 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.94 169.84 1.78 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 122.686 1.231 . . . . 0.0 113.314 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.03 172.22 13.08 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.029 175.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.91 -39.49 85.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.61 -44.63 64.08 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 96.8 m -62.28 -38.91 91.16 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.979 -1.076 . . . . 0.0 110.344 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.3 mt -56.65 -54.09 50.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.34 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.08 -28.36 70.03 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 121.832 2.106 . . . . 0.0 114.302 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.38 -14.55 58.24 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.985 -1.072 . . . . 0.0 113.531 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -92.65 -10.98 35.37 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.63 11.82 10.06 Favored Glycine 0 N--CA 1.477 1.388 0 CA-C-O 119.922 -0.377 . . . . 0.0 113.946 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.51 64.6 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 122.659 1.219 . . . . 0.0 108.294 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -35.94 81.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.534 -1.212 . . . . 0.0 114.255 -168.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.98 145.1 54.84 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.135 0.969 . . . . 0.0 112.031 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.54 -43.06 99.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.002 169.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.8 -64.63 4.03 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.29 -69.86 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 167.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -55.52 -45.66 77.09 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -59.83 -37.47 79.29 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.236 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.73 -29.86 67.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.082 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.99 -48.5 71.0 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.279 0.945 . . . . 0.0 110.16 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 67.5 mt -58.11 -38.19 75.99 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.27 0.941 . . . . 0.0 112.882 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -61.85 -59.11 5.63 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.033 170.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.57 -51.05 29.67 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 124.158 0.911 . . . . 0.0 112.674 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.579 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 18.0 m-30 -54.58 -47.56 73.14 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 129.444 3.098 . . . . 0.0 113.682 173.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -29.89 76.54 Favored Glycine 0 CA--C 1.526 0.753 0 O-C-N 119.985 -1.697 . . . . 0.0 111.816 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.2 mt -69.99 -70.92 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -42.44 -55.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.419 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.546 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.9 mt -39.42 -45.26 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-N 119.946 1.248 . . . . 0.0 113.039 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.33 -52.7 64.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.936 -176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.64 -31.75 70.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -66.51 -42.09 87.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.561 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.68 -10.04 59.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -102.19 -22.47 14.18 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.643 -0.694 . . . . 0.0 112.415 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.9 t0 77.42 23.16 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.708 1.255 . . . . 0.0 112.9 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.3 mp -77.07 -6.43 52.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.41 139.54 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.696 0.76 . . . . 0.0 110.496 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -73.0 145.98 46.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.68 1.228 . . . . 0.0 109.898 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -64.16 -10.86 25.49 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.855 -1.52 . . . . 0.0 113.613 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 31.9 m -89.42 -12.92 38.87 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.48 72.63 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.582 1.083 . . . . 0.0 111.808 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.252 1.213 0 CA-C-N 115.008 -0.996 . . . . 0.0 113.185 -179.008 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 50.3 mt . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 52.0 p -68.43 17.03 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 130.151 3.38 . . . . 0.0 115.522 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -98.61 131.69 25.41 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 126.582 1.953 . . . . 0.0 110.188 -170.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.57 -26.17 28.72 Favored 'Trans proline' 0 C--N 1.347 0.471 0 CA-C-N 121.455 1.555 . . . . 0.0 113.075 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.03 -41.38 61.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.7 mp -69.19 -51.71 35.22 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.5 0.5 . . . . 0.0 110.773 171.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.16 -43.75 74.53 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -67.34 -36.05 80.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 172.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -108.19 85.82 2.18 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 37.2 mm -47.92 -43.35 53.58 Favored Pre-proline 0 N--CA 1.488 1.429 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.63 -43.11 52.8 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.41 2.073 . . . . 0.0 113.933 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.3 ttp -80.66 -27.99 36.96 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.381 0.537 . . . . 0.0 111.704 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -57.86 -48.83 78.65 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.733 -0.604 . . . . 0.0 110.381 166.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.26 -28.33 63.07 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.036 1.334 . . . . 0.0 113.771 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -52.81 -42.88 65.51 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.6 t -57.62 -25.03 59.52 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 88.4 mt -95.72 -6.49 39.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.422 1.489 . . . . 0.0 113.961 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.256 87.8 mmt-85 60.26 21.17 10.59 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -169.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.9 mt -102.76 13.14 35.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.137 174.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -58.13 8.08 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -74.09 -34.91 64.13 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.903 0.859 . . . . 0.0 109.087 167.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -95.24 13.21 26.27 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.153 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.2 p -58.99 -31.53 68.87 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -80.83 -27.11 36.61 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.303 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.0 68.18 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.599 0.714 . . . . 0.0 110.225 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 71.2 mt -95.75 -12.0 26.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.27 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 27.1 t -66.31 166.62 11.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.588 0.709 . . . . 0.0 111.018 167.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 73.85 2.19 60.73 Favored Glycine 0 CA--C 1.539 1.582 0 O-C-N 121.293 -0.879 . . . . 0.0 113.897 -169.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 34.1 m -130.69 120.98 18.89 Favored Pre-proline 0 N--CA 1.475 0.792 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.56 159.88 51.33 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.615 2.21 . . . . 0.0 110.865 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.4 p-90 -61.68 -54.91 36.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.329 -172.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 2.8 tp -33.88 -25.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -30.85 6.03 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 483' ' ' LEU . 9.8 tp -49.28 -54.66 15.8 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 121.42 0.628 . . . . 0.0 110.111 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.55 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.317 39.2 pt -43.3 -35.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 173.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.51 10.25 11.41 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 480' ' ' LEU . 0.8 OUTLIER -59.3 170.73 0.89 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.318 1.056 . . . . 0.0 112.605 170.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -131.67 167.47 19.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.709 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -58.56 -41.9 86.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.86 -41.33 71.55 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 30.2 m -61.13 -42.5 98.65 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.056 -1.027 . . . . 0.0 110.625 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.76 -54.93 38.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.711 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.2 -31.11 71.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.592 1.997 . . . . 0.0 114.235 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -77.67 -19.69 54.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -85.59 -18.31 33.68 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 124.8 10.89 4.63 Favored Glycine 0 N--CA 1.472 1.1 0 N-CA-C 114.33 0.492 . . . . 0.0 114.33 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.22 67.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 122.415 1.103 . . . . 0.0 109.052 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -30.51 63.85 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -169.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.05 137.83 49.31 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.323 0.965 . . . . 0.0 111.887 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.93 -42.75 98.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.689 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.47 -67.14 2.37 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.54 -66.04 0.16 Allowed 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.903 1.002 . . . . 0.0 113.306 166.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -47.05 -56.81 5.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -60.71 -35.67 76.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.234 0.925 . . . . 0.0 112.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -69.73 -29.65 67.09 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 118.167 -0.92 . . . . 0.0 112.223 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.81 -49.13 74.07 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 119.509 1.05 . . . . 0.0 109.735 168.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.5 mt -58.63 -38.22 77.59 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.084 0.856 . . . . 0.0 113.02 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -60.93 -59.54 5.22 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.844 169.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.68 -51.23 29.56 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.019 0.824 . . . . 0.0 112.412 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.55 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.3 m-30 -53.17 -48.66 67.81 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 129.693 3.197 . . . . 0.0 113.338 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.15 -30.62 78.3 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 119.986 -1.696 . . . . 0.0 111.913 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 14.9 mt -69.28 -71.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.525 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.3 m -42.08 -55.94 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 119.063 -1.055 . . . . 0.0 113.639 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.547 HG12 HD12 ' A' ' 481' ' ' ILE . 42.0 mt -38.97 -46.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 CA-C-N 119.763 1.165 . . . . 0.0 113.312 170.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.55 -54.97 40.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.5 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -58.75 -27.5 65.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.48 -43.49 69.65 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.549 0.69 . . . . 0.0 110.947 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.92 -13.15 61.57 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.938 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -99.12 -22.84 15.48 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.854 -0.593 . . . . 0.0 112.387 171.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.5 t0 68.71 30.82 4.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.06 -8.22 59.72 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 173.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.01 155.64 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 122.248 1.023 . . . . 0.0 109.592 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -81.06 128.43 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.616 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -61.13 -11.05 7.47 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 38.9 m -70.89 -14.85 62.54 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.31 -25.63 66.12 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--O 1.253 1.255 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.74 -169.879 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 120.588 0.232 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 48.0 p -66.02 17.04 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 130.163 3.385 . . . . 0.0 114.148 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.8 125.54 52.93 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 126.685 1.994 . . . . 0.0 110.02 -169.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 17.9 Cg_endo -61.21 -31.64 89.96 Favored 'Trans proline' 0 CA--C 1.516 -0.388 0 C-N-CA 122.403 2.069 . . . . 0.0 114.679 -171.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -81.37 -29.78 33.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.342 -173.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -47.17 26.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.451 0.3 . . . . 0.0 110.518 167.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.81 -41.12 77.23 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.812 -0.555 . . . . 0.0 111.841 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.64 -49.67 67.8 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.098 -1.001 . . . . 0.0 112.712 169.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -100.78 84.67 2.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.269 0.557 . . . . 0.0 111.498 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.8 mm -47.59 -42.48 43.93 Favored Pre-proline 0 N--CA 1.483 1.22 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 469' ' ' SER . 76.2 Cg_exo -49.78 -39.81 47.98 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.287 2.658 . . . . 0.0 115.612 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 23.6 ttp -83.16 -25.97 31.35 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -62.2 -48.32 80.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 169.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -28.22 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -53.51 -41.29 66.16 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 55.8 m -69.76 -4.18 18.74 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.26 -7.85 12.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.989 1.715 . . . . 0.0 114.48 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 64.67 19.87 11.96 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 84.8 mt -111.93 18.6 18.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.558 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -66.78 20.84 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -93.1 -29.78 15.6 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -106.28 3.7 27.94 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.492 -175.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 457' ' ' PRO . 44.1 p -56.86 -27.18 60.0 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.95 -32.07 45.31 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.14 0.495 . . . . 0.0 111.989 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -71.19 -17.51 62.52 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.312 173.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.1 mt -106.98 -15.8 14.61 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.025 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.0 t -64.22 -22.57 66.99 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -67.81 0.69 9.6 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.5 m -133.97 128.02 19.48 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 117.896 0.848 . . . . 0.0 108.978 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.99 160.75 48.37 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.14 1.893 . . . . 0.0 111.127 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.405 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -60.86 -55.27 35.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.894 -170.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.0 tp -35.11 -27.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -110.94 -33.41 6.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.883 0.473 . . . . 0.0 112.253 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.5 tp -49.58 -56.64 9.23 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.201 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.56 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.313 38.2 pt -41.96 -37.38 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 172.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.437 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.4 m-30 -76.7 -1.16 26.47 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.56 170.07 1.15 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.292 1.044 . . . . 0.0 113.407 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -129.4 167.94 17.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.765 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.93 -39.64 90.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.17 -48.05 80.05 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 122.418 -0.176 . . . . 0.0 111.016 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 9.1 m -62.11 -36.01 80.47 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.19 74.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.331 0.969 . . . . 0.0 110.9 171.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -55.47 -38.42 69.06 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 174.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.76 -10.29 58.22 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -98.09 -10.51 24.14 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.79 12.44 9.39 Favored Glycine 0 N--CA 1.477 1.376 0 O-C-N 123.264 0.352 . . . . 0.0 113.744 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.36 61.38 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -31.96 73.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.276 -1.329 . . . . 0.0 114.544 -167.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.04 145.89 47.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.313 0.577 . . . . 0.0 112.48 -175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.2 tp -61.76 -45.8 92.36 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.272 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.08 -65.81 3.26 Favored Glycine 0 C--N 1.338 0.69 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.77 -68.0 0.12 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -59.12 -44.9 92.03 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -60.45 -34.96 74.75 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.232 0.924 . . . . 0.0 112.826 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -70.47 -30.53 67.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.784 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.07 -49.35 74.86 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.113 0.87 . . . . 0.0 110.204 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.67 -37.3 75.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.022 0.828 . . . . 0.0 113.171 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -62.11 -58.73 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.387 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.01 -48.48 43.6 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 124.268 0.98 . . . . 0.0 112.28 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.56 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.3 m-30 -57.34 -47.51 81.38 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 129.813 3.245 . . . . 0.0 113.857 174.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.31 74.8 Favored Glycine 0 CA--C 1.526 0.741 0 O-C-N 119.751 -1.843 . . . . 0.0 111.632 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.4 mt -69.79 -71.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.541 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.6 m -41.47 -56.57 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.813 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.541 ' H ' HG23 ' A' ' 509' ' ' VAL . 37.2 mt -39.57 -46.24 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 120.033 1.288 . . . . 0.0 113.044 170.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.75 -54.46 46.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.5 -27.68 66.36 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 478' ' ' ILE . 56.6 tttm -70.27 -43.89 69.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.469 0.652 . . . . 0.0 110.853 173.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.58 -12.0 61.29 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.301 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -103.45 -21.39 13.8 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.634 173.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.78 24.7 2.09 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.389 1.055 . . . . 0.0 113.599 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.94 -12.47 60.03 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.4 152.83 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.441 1.115 . . . . 0.0 110.344 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.31 142.63 39.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.239 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.46 -19.19 61.73 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.277 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 73.5 m -81.37 -12.08 59.1 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -68.96 -34.51 75.46 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.182 0.901 . . . . 0.0 111.754 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.253 1.285 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.67 -176.243 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 38.7 mt . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . 0.471 HG21 ' CG ' ' A' ' 512' ' ' TYR . 70.6 p -70.89 16.86 0.08 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 131.202 3.801 . . . . 0.0 114.08 172.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -93.25 128.34 43.22 Favored Pre-proline 0 CA--C 1.536 0.419 0 C-N-CA 127.244 2.218 . . . . 0.0 109.591 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.99 -24.95 23.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 121.663 1.575 . . . . 0.0 113.334 -169.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -73.52 -39.53 64.72 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -50.55 22.48 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.074 171.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.28 -38.57 74.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -64.5 -54.07 38.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.163 -0.961 . . . . 0.0 111.868 168.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -95.8 83.66 3.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.223 0.535 . . . . 0.0 112.003 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.4 mm -47.71 -41.8 40.4 Favored Pre-proline 0 N--CA 1.487 1.392 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -174.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.89 -42.97 55.02 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.531 2.154 . . . . 0.0 114.026 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.5 ttp -79.96 -26.07 40.17 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.684 -0.635 . . . . 0.0 111.955 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.63 -47.98 83.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.309 0.576 . . . . 0.0 110.584 166.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.03 -28.01 62.09 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.264 1.426 . . . . 0.0 113.897 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -52.8 -46.45 67.67 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 48.7 m -61.34 -21.27 63.86 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.1 mt -92.68 -8.6 43.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.242 1.417 . . . . 0.0 113.24 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.262 88.4 mmt-85 62.71 18.12 10.35 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 80.2 mt -101.25 15.08 29.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.265 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -62.28 16.79 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -77.31 -24.66 50.84 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.463 1.125 . . . . 0.0 109.761 168.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.85 11.68 27.89 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.089 -1.869 . . . . 0.0 112.989 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.5 m -52.29 -40.69 62.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.38 -26.49 41.98 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.91 58.54 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.158 0.504 . . . . 0.0 111.325 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.37 -14.5 14.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.217 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 46.6 t -62.64 -20.91 65.27 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.11 2.13 20.91 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.0 m -136.11 116.87 11.43 Favored Pre-proline 0 N--CA 1.474 0.731 0 CA-C-N 118.037 0.919 . . . . 0.0 108.786 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -61.83 153.66 66.43 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.059 1.84 . . . . 0.0 110.67 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -54.33 -50.27 67.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.081 -173.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.6 tp -35.67 -27.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -117.05 -29.75 5.87 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.694 0.621 . . . . 0.0 111.335 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.44 -56.99 7.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.805 0.691 . . . . 0.0 110.214 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.58 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.319 38.4 pt -42.94 -33.69 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 173.373 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -83.62 6.48 20.63 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.84 168.96 2.77 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 122.324 1.059 . . . . 0.0 112.604 172.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -132.87 169.35 16.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.22 -51.73 61.21 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.283 1.039 . . . . 0.0 112.585 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.87 -43.72 92.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.04 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.8 m -64.42 -38.67 91.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.46 -48.17 82.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.428 0.558 . . . . 0.0 110.855 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.03 -41.37 71.26 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.995 -0.441 . . . . 0.0 111.991 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.7 -15.62 58.25 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -91.21 -10.37 41.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 113.18 13.15 11.11 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.631 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.4 t -104.4 65.47 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -29.35 64.17 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -167.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.51 139.86 51.7 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.938 0.79 . . . . 0.0 111.782 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.94 -48.33 81.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.368 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.25 -65.36 3.6 Favored Glycine 0 C--N 1.339 0.745 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.91 -70.1 0.08 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -47.02 -52.81 13.95 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -57.08 -39.6 75.31 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.812 0.733 . . . . 0.0 111.847 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -73.44 -24.54 60.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 117.849 -1.072 . . . . 0.0 113.124 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.14 -48.32 76.5 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.749 1.159 . . . . 0.0 108.843 168.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.4 mt -57.37 -38.75 74.71 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -61.38 -60.67 3.37 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.034 170.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.06 -47.36 44.97 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.098 0.874 . . . . 0.0 112.812 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.58 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -57.96 -49.43 76.82 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 129.333 3.053 . . . . 0.0 113.604 174.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.02 -29.34 74.6 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 120.247 -1.533 . . . . 0.0 111.436 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.88 -72.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.535 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.3 m -41.85 -56.27 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 117.802 -1.094 . . . . 0.0 113.923 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.558 HG12 HD12 ' A' ' 481' ' ' ILE . 49.5 mt -39.17 -45.82 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 119.926 1.239 . . . . 0.0 112.88 170.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.23 -50.29 74.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.983 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . 0.471 ' CG ' HG21 ' A' ' 448' ' ' THR . 7.0 m-85 -64.47 -30.23 71.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 171.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -68.33 -39.64 81.86 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.833 0.742 . . . . 0.0 110.634 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.57 -5.95 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.744 -1.117 . . . . 0.0 112.699 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.07 -24.22 10.02 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.616 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 15.9 t70 83.46 17.21 0.26 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 124.938 1.399 . . . . 0.0 112.632 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.5 mp -76.72 -5.23 47.16 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.634 -0.666 . . . . 0.0 112.546 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.1 mm -64.36 144.26 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 0.0 110.015 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.22 145.03 44.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 122.754 1.264 . . . . 0.0 109.892 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -66.84 -11.19 54.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.274 -1.33 . . . . 0.0 114.396 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.6 m -86.18 -14.2 44.72 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.51 88.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.712 0.687 . . . . 0.0 111.463 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.172 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.476 0.86 0 CA-C-O 120.755 0.312 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.0 p -69.95 14.39 0.11 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 130.909 3.683 . . . . 0.0 114.464 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -90.94 129.19 45.04 Favored Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 126.276 1.83 . . . . 0.0 109.727 -169.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . 0.449 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 55.5 Cg_endo -69.11 -25.53 31.52 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 121.732 1.621 . . . . 0.0 113.284 -169.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -75.0 -43.48 53.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.782 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.9 mp -67.99 -47.93 67.16 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.379 0.424 . . . . 0.0 110.715 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.11 -44.05 87.5 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.51 0.596 . . . . 0.0 111.676 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -66.93 -28.43 68.29 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.581 -1.325 . . . . 0.0 114.506 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -117.87 82.38 1.82 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 0.0 112.052 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 18.6 mm -48.4 -41.49 46.5 Favored Pre-proline 0 N--CA 1.488 1.44 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.85 -38.61 85.76 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.699 2.266 . . . . 0.0 114.284 172.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.6 ttp -81.94 -30.82 31.57 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.092 -0.38 . . . . 0.0 111.854 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -58.39 -51.57 69.26 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.218 0.532 . . . . 0.0 111.13 168.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.39 -24.12 64.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.889 1.676 . . . . 0.0 113.487 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -50.79 -45.01 59.03 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.0 m -67.17 -16.66 64.44 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 87.4 mt -94.52 -8.39 38.47 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.862 1.265 . . . . 0.0 113.458 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 62.37 20.45 11.85 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.2 mt -109.06 16.71 22.35 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.435 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -65.54 20.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -86.42 -29.1 23.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 168.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -92.77 10.76 29.48 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.671 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 67.0 m -49.63 -39.86 37.35 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.18 -24.75 47.05 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.281 0.946 . . . . 0.0 112.789 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.63 -19.32 57.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.1 0.476 . . . . 0.0 110.925 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . 0.476 HD23 ' HE3' ' A' ' 491' ' ' LYS . 73.6 mt -111.57 -18.41 12.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.987 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.7 t -67.6 -14.46 62.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 173.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -75.22 -1.48 64.18 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 114.949 0.74 . . . . 0.0 114.949 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.6 m -131.48 131.66 23.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 117.979 0.89 . . . . 0.0 109.241 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.11 157.78 56.71 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.129 1.886 . . . . 0.0 111.338 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.424 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.9 p-90 -60.55 -55.08 37.64 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.622 -172.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -34.18 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 172.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -117.08 -30.05 5.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.83 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.413 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.4 tp -46.43 -56.74 5.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 121.59 0.71 . . . . 0.0 110.557 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.553 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 42.2 pt -42.61 -34.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 175.142 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -85.08 4.34 34.6 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.5 mm? -58.95 168.25 1.35 Allowed 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 122.109 0.957 . . . . 0.0 112.469 171.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -127.71 165.5 19.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.865 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -52.48 -48.37 65.95 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.023 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.67 -44.39 90.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.021 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 10.4 m -63.74 -39.14 93.55 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.715 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -49.41 77.07 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 117.916 0.326 . . . . 0.0 111.252 173.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -42.27 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.286 0.494 . . . . 0.0 111.313 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.99 -9.94 59.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . 0.476 ' HE3' HD23 ' A' ' 472' ' ' LEU . 17.3 ttpt -95.74 -6.57 39.46 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 110.02 16.29 10.77 Favored Glycine 0 N--CA 1.473 1.161 0 O-C-N 123.094 0.246 . . . . 0.0 113.33 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 9.5 t -112.76 60.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.414 ' H ' HD22 ' A' ' 494' ' ' LEU . 0.8 OUTLIER -63.88 -31.85 73.17 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.99 -1.459 . . . . 0.0 114.206 -167.097 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.08 140.33 47.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.27 -47.64 82.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.183 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.77 -65.43 3.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.03 -66.87 0.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 169.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -63.11 -36.36 83.34 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.24 -40.04 92.56 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.65 1.114 . . . . 0.0 111.563 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -67.34 -28.69 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.86 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.13 -46.5 80.69 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.408 169.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.4 mt -57.28 -37.17 71.98 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.541 1.064 . . . . 0.0 113.28 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.2 -59.24 5.33 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.659 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.92 -47.96 51.98 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.603 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.553 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.21 -45.68 83.6 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 129.335 3.054 . . . . 0.0 113.139 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.14 -29.68 75.42 Favored Glycine 0 CA--C 1.526 0.757 0 O-C-N 119.876 -1.765 . . . . 0.0 111.825 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.78 -69.83 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.572 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.9 m -41.52 -56.82 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 C-N-CA 119.004 -1.078 . . . . 0.0 113.708 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.572 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.9 mt -39.28 -45.27 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 CA-C-N 119.684 1.129 . . . . 0.0 113.322 170.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.34 -51.06 71.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.909 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -62.66 -31.34 72.2 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 171.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -69.85 -37.97 76.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.909 0.777 . . . . 0.0 111.189 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -69.97 -11.13 60.64 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.159 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -102.34 -22.36 14.13 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.114 173.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 20.1 t70 78.83 20.74 0.76 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 124.843 1.339 . . . . 0.0 113.178 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.7 mp -78.2 -3.92 45.07 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.3 mm -64.25 142.47 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.513 0.673 . . . . 0.0 110.466 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.6 145.9 40.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.498 1.142 . . . . 0.0 109.757 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -64.19 -15.92 60.9 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.474 -1.239 . . . . 0.0 114.208 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -78.38 -15.78 58.33 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -69.03 -27.57 65.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.419 1.009 . . . . 0.0 112.545 175.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.695 -174.54 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 120.875 0.369 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.2 p -67.73 20.37 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.959 3.304 . . . . 0.0 114.849 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -108.96 128.59 25.19 Favored Pre-proline 0 N--CA 1.47 0.535 0 C-N-CA 125.718 1.607 . . . . 0.0 110.083 -168.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . 0.506 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 57.8 Cg_endo -70.59 -24.65 25.62 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.926 1.75 . . . . 0.0 113.376 -168.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.61 -39.07 62.39 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.728 0.411 . . . . 0.0 110.249 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.83 -48.46 58.9 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 170.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.99 -35.69 71.56 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -63.12 -53.81 47.64 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.93 -1.106 . . . . 0.0 111.799 168.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -96.82 85.11 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 27.1 mm -48.1 -41.63 43.77 Favored Pre-proline 0 N--CA 1.49 1.555 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.06 -34.9 98.58 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.257 2.638 . . . . 0.0 114.777 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.2 ttp -80.4 -31.9 37.62 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.725 -0.609 . . . . 0.0 111.48 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.57 -52.65 64.54 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.036 0.446 . . . . 0.0 111.597 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.0 -20.62 65.03 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.476 1.51 . . . . 0.0 113.934 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -50.73 34.89 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 4.9 t -60.78 4.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.0 mt -129.19 -15.05 4.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.256 2.222 . . . . 0.0 112.04 -174.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.33 1.3 mpp_? 62.99 23.98 14.31 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.084 1.421 . . . . 0.0 114.265 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.48 10.84 38.66 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.718 -2.492 . . . . 0.0 109.242 167.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -64.32 13.58 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -82.03 -34.35 29.56 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 166.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -90.97 13.15 17.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.787 -173.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 54.8 m -47.97 -39.28 18.95 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.343 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -77.11 -25.32 52.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.23 1.377 . . . . 0.0 112.997 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.93 58.44 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.619 0.724 . . . . 0.0 110.375 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.93 -20.98 12.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.388 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 9.8 m -71.92 -12.69 61.38 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.47 1.83 18.64 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 119.446 -0.641 . . . . 0.0 114.431 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 15.2 m -137.66 134.67 18.44 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -72.07 158.16 52.85 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.859 1.706 . . . . 0.0 111.248 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.444 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.7 p-90 -60.2 -55.42 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.04 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.444 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -35.13 -26.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -116.38 -31.76 5.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.867 -0.587 . . . . 0.0 111.63 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.408 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 10.7 tp -44.87 -59.65 2.44 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-O 121.564 0.697 . . . . 0.0 110.508 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.563 HD12 HG12 ' A' ' 510' ' ' ILE 0.318 39.3 pt -43.69 -32.29 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 175.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -86.34 4.69 38.12 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 171.14 0.76 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.954 0.883 . . . . 0.0 113.108 172.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.63 166.48 17.99 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.147 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.0 -49.79 62.62 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.395 1.093 . . . . 0.0 113.814 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.75 -40.04 84.16 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.002 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 6.7 m -62.64 -39.44 93.85 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.292 -0.88 . . . . 0.0 111.162 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.4 mp -56.21 -53.88 51.93 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.909 0.777 . . . . 0.0 111.44 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -61.19 -30.2 70.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 119.949 1.25 . . . . 0.0 113.969 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.59 -13.05 59.39 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -88.97 -12.07 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.55 13.8 7.87 Favored Glycine 0 N--CA 1.474 1.229 0 O-C-N 123.473 0.483 . . . . 0.0 113.733 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -109.33 62.69 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 122.776 1.274 . . . . 0.0 107.786 -174.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -37.23 85.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.763 -168.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -69.94 141.06 53.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.154 0.434 . . . . 0.0 111.327 -174.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.68 -42.41 92.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.815 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.92 -65.69 3.07 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.864 -0.409 . . . . 0.0 112.248 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.85 -57.52 0.45 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 168.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . 0.489 ' HA ' HD23 ' A' ' 488' ' ' LEU . 12.8 ttm180 -50.58 -59.92 3.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -55.9 -37.51 68.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.922 0.783 . . . . 0.0 112.89 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -65.14 -35.83 82.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.13 -50.71 67.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.731 0.696 . . . . 0.0 111.049 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.1 -35.26 74.83 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.148 0.885 . . . . 0.0 113.259 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -59.62 -61.09 2.88 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.412 169.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.49 41.13 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 10.9 m-30 -60.59 -42.45 96.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 129.754 3.222 . . . . 0.0 113.732 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.52 -30.59 73.14 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 119.48 -2.013 . . . . 0.0 112.088 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.82 -67.68 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.612 HG23 ' H ' ' A' ' 510' ' ' ILE . 7.5 m -41.75 -56.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.604 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.612 ' H ' HG23 ' A' ' 509' ' ' VAL . 38.4 mt -39.14 -45.38 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-N 119.985 1.266 . . . . 0.0 113.353 170.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.38 -54.04 51.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.561 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -61.15 -27.52 68.45 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -68.37 -43.41 77.41 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.727 0.775 . . . . 0.0 110.253 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.58 -8.77 56.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 113.831 -1.532 . . . . 0.0 112.234 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.68 -22.75 13.52 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.281 172.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 16.8 t70 85.74 16.38 0.13 Allowed 'General case' 0 N--CA 1.479 0.979 0 O-C-N 125.281 1.613 . . . . 0.0 113.005 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.93 -4.83 51.77 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 27.9 mm -54.57 -58.65 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.44 ' HB3' ' HG3' ' A' ' 450' ' ' PRO . 19.4 t70 107.18 149.81 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 127.842 3.214 . . . . 0.0 109.758 -170.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -70.08 -10.45 58.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 58.5 m -72.0 -25.44 61.83 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -74.13 -42.03 60.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.993 0.815 . . . . 0.0 112.49 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-N 113.894 -1.503 . . . . 0.0 113.795 179.738 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 121.066 0.46 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 77.5 p -68.72 24.92 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.773 3.629 . . . . 0.0 114.04 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.88 130.04 23.48 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 127.106 2.162 . . . . 0.0 109.425 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.28 -22.65 25.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 121.433 1.422 . . . . 0.0 113.238 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.74 -43.63 45.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.27 -51.06 65.4 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.41 -37.15 79.94 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -59.78 -53.58 56.25 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.64 -0.663 . . . . 0.0 112.674 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . 0.431 HD22 ' HB2' ' A' ' 458' ' ' MET . 0.7 OUTLIER -110.79 95.66 5.69 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 122.387 1.089 . . . . 0.0 112.584 -178.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.9 mm -45.87 -40.55 16.19 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-N 112.646 -2.07 . . . . 0.0 115.524 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.78 -38.74 78.17 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.0 1.8 . . . . 0.0 114.761 173.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . 0.431 ' HB2' HD22 ' A' ' 455' ' ' ASN . 18.5 ttp -78.17 -32.26 50.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.196 178.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -56.76 -47.65 79.62 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 168.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.46 -28.28 69.56 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 173.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -52.36 -48.15 65.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 65.7 m -67.43 -8.49 33.61 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 72.7 mt -104.71 -6.59 20.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.364 1.465 . . . . 0.0 113.561 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 62.43 21.64 12.72 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -169.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 82.9 mt -113.78 19.93 16.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.34 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -66.88 23.47 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -95.71 -38.77 10.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 168.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -90.68 6.79 42.52 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.439 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 11.0 p -52.3 -33.49 42.48 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -80.05 -28.31 39.26 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.08 -18.44 63.99 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.226 172.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.37 -14.69 12.75 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.13 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.8 t -64.96 -20.4 66.46 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.96 -2.39 38.33 Favored Glycine 0 CA--C 1.541 1.69 0 N-CA-C 115.223 0.849 . . . . 0.0 115.223 172.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 48.8 m -132.28 130.56 21.99 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 117.839 0.819 . . . . 0.0 109.43 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.22 160.53 48.67 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.061 1.841 . . . . 0.0 111.243 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.7 p-90 -60.8 -55.09 37.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.785 -170.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.433 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -35.25 -28.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 172.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -111.32 -32.67 6.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 123.454 0.471 . . . . 0.0 112.267 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.9 tp -49.74 -56.16 11.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.89 0.744 . . . . 0.0 110.064 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.555 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.324 36.4 pt -42.37 -37.33 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.41 ' CD1' HG13 ' A' ' 481' ' ' ILE . 14.4 m-30 -79.05 2.08 21.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.81 169.19 1.48 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 122.316 1.055 . . . . 0.0 113.429 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -129.65 167.21 18.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -58.94 -40.86 85.93 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.52 -49.65 68.16 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 122.333 -0.229 . . . . 0.0 111.453 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 26.3 m -59.94 -36.56 77.33 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.789 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.5 mp -55.41 -53.21 59.11 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.317 170.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.2 -36.28 65.77 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -86.02 -9.94 55.9 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -96.34 -11.56 25.66 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.53 12.72 9.36 Favored Glycine 0 N--CA 1.474 1.228 0 CA-C-O 120.046 -0.308 . . . . 0.0 113.277 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 10.0 t -107.6 63.59 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 122.525 1.155 . . . . 0.0 108.161 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -39.85 82.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.99 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.61 140.14 55.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.119 0.485 . . . . 0.0 111.658 -175.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -61.68 -43.42 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.97 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.21 -65.75 3.25 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.59 -61.72 0.32 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.786 0.933 . . . . 0.0 113.188 167.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . 0.432 ' HA ' HD23 ' A' ' 488' ' ' LEU . 17.8 ttp-105 -50.58 -57.64 7.69 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 34.8 mtp-105 -54.79 -37.57 66.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.847 0.749 . . . . 0.0 112.613 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.37 -33.26 72.79 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.589 -0.719 . . . . 0.0 112.129 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.03 -49.91 70.55 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.974 0.807 . . . . 0.0 111.086 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.59 -36.55 76.48 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.859 0.838 . . . . 0.0 112.701 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.95 -60.34 3.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.303 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.84 -47.51 31.36 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.307 1.004 . . . . 0.0 112.382 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.555 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.5 m-30 -56.68 -48.68 77.09 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 128.976 2.91 . . . . 0.0 113.815 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.96 -30.15 76.92 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 120.041 -1.662 . . . . 0.0 111.711 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.95 -71.64 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.538 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.72 -55.36 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 119.118 -1.033 . . . . 0.0 113.645 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.538 ' H ' HG23 ' A' ' 509' ' ' VAL . 35.5 mt -39.13 -46.31 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 CA-C-N 119.457 1.026 . . . . 0.0 113.396 170.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -58.45 -56.12 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.944 0.777 . . . . 0.0 109.449 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.4 -26.41 63.22 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.407 ' HE2' HD11 ' A' ' 478' ' ' ILE . 59.5 tttm -69.95 -44.92 68.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.183 0.447 . . . . 0.0 110.567 174.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.08 -20.77 60.17 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -86.17 -23.09 26.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.656 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 72.42 25.06 2.82 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 124.488 1.117 . . . . 0.0 112.892 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.59 -11.91 59.91 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.8 mt -75.65 155.99 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.483 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.54 152.55 24.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 122.881 1.324 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.06 -14.73 62.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.083 -1.417 . . . . 0.0 114.404 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 21.0 m -83.23 -13.5 55.2 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.8 78.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.937 0.79 . . . . 0.0 111.251 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.255 1.356 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.047 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' ' 512' ' ' TYR . 63.8 p -66.78 14.38 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.586 1 C-N-CA 132.75 4.42 . . . . 0.0 113.764 169.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.09 125.34 57.09 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 126.175 1.79 . . . . 0.0 108.937 -169.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.36 -28.08 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.678 1.585 . . . . 0.0 113.152 -168.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -70.89 -45.6 64.05 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -50.5 68.26 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.065 172.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.33 -36.98 74.21 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.58 -50.74 72.3 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.2 95.0 5.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 15.7 mm -47.52 -40.08 25.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.54 -43.2 46.32 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.951 1.767 . . . . 0.0 113.699 172.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.0 ttp -79.94 -29.93 39.82 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.529 0.604 . . . . 0.0 111.604 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -57.35 -48.58 78.64 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.498 -0.751 . . . . 0.0 111.17 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -72.08 -29.34 64.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.264 1.426 . . . . 0.0 113.323 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -53.34 -43.44 67.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 167.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 7.6 t -58.94 -18.0 29.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.83 -4.2 21.05 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.725 1.61 . . . . 0.0 113.353 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 61.75 15.88 7.38 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.6 mt -94.72 11.84 29.9 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -60.86 15.32 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 467' ' ' LYS . 22.2 ttpt -80.99 -38.52 27.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.589 1.185 . . . . 0.0 110.181 168.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -84.79 11.48 9.07 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.269 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 62.8 p -55.03 -40.96 70.76 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -77.32 -25.48 51.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.55 1.068 . . . . 0.0 112.449 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.83 -26.14 59.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 63.2 mt -106.64 -17.8 14.14 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.857 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 25.6 t -65.76 -15.85 63.24 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.67 -2.3 43.32 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 119.188 -0.784 . . . . 0.0 115.054 170.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -131.93 133.7 24.35 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.827 0.814 . . . . 0.0 109.477 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.0 159.4 50.32 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.717 1.611 . . . . 0.0 111.139 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.9 p-90 -61.44 -55.89 26.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.354 -172.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.47 -25.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -115.77 -29.47 6.4 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.88 -55.01 12.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.586 0.554 . . . . 0.0 109.91 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.568 HD12 HG12 ' A' ' 510' ' ' ILE 0.314 42.2 pt -43.0 -35.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 174.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -83.95 7.82 17.11 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.14 171.02 1.08 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.19 0.995 . . . . 0.0 112.564 171.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -133.19 168.55 18.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.195 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.64 -43.49 89.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.06 -44.11 80.96 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.954 -0.466 . . . . 0.0 111.948 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.0 m -62.68 -39.01 92.63 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 110.936 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.44 -46.8 88.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.337 0.517 . . . . 0.0 111.109 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.95 -41.14 70.73 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 118.195 0.452 . . . . 0.0 112.084 175.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.82 -15.98 46.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -86.37 -13.43 46.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.35 11.16 8.26 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 119.229 -0.761 . . . . 0.0 114.136 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.4 t -101.35 67.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.83 -25.66 59.16 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.03 140.27 52.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.837 1.199 . . . . 0.0 111.815 174.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.09 -45.63 93.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.615 170.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.05 -65.27 3.7 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -174.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.74 -67.43 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 166.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -46.02 -56.61 5.31 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.94 -33.32 71.74 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.714 0.688 . . . . 0.0 112.707 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -74.99 -28.45 60.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.923 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.08 -49.8 74.5 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.81 1.187 . . . . 0.0 108.976 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.11 -37.98 75.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.819 0.736 . . . . 0.0 112.946 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -60.83 -61.66 2.42 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.281 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.95 -51.66 22.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.189 0.931 . . . . 0.0 112.626 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.548 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.6 m-30 -52.72 -49.95 64.37 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 129.823 3.249 . . . . 0.0 112.979 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.92 -29.83 75.96 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.069 -1.644 . . . . 0.0 111.88 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.41 -71.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.501 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.7 m -41.45 -55.71 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 118.843 -1.143 . . . . 0.0 113.853 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.568 HG12 HD12 ' A' ' 481' ' ' ILE . 30.7 mt -38.73 -46.42 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 170.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -59.12 -55.57 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.239 0.962 . . . . 0.0 109.324 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . 0.464 ' CG ' HG21 ' A' ' 448' ' ' THR . 6.3 m-85 -57.38 -29.47 64.1 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 173.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -69.51 -42.2 75.04 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 118.059 0.391 . . . . 0.0 110.519 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.28 -17.06 58.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -87.27 -23.34 24.72 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.876 172.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.6 t70 87.87 16.47 0.08 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.244 2.215 . . . . 0.0 112.593 172.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.42 -6.6 53.98 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.22 137.9 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -75.56 9.11 2.39 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -171.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.269 50.0 mmt-85 49.22 11.21 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 118.695 2.85 . . . . 0.0 118.695 -168.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 49.3 m -109.82 -9.83 14.79 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.116 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -72.42 -28.27 62.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 . . . . . 0 C--O 1.254 1.315 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.882 -174.581 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.4 mt . . . . . 0 N--CA 1.472 0.651 0 CA-C-O 120.628 0.251 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 57.5 p -67.12 16.43 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 130.276 3.431 . . . . 0.0 115.08 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -98.91 132.4 23.76 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.329 1.851 . . . . 0.0 109.802 -169.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.02 -27.48 25.16 Favored 'Trans proline' 0 C--N 1.346 0.403 0 CA-C-N 121.236 1.477 . . . . 0.0 113.335 -168.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -72.24 -39.93 68.1 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.7 -46.71 52.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.871 172.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.401 HD22 ' CE3' ' A' ' 477' ' ' TRP . 51.2 mt -57.75 -42.8 84.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 118.368 0.531 . . . . 0.0 111.479 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -66.45 -29.59 69.76 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.335 -1.478 . . . . 0.0 114.511 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -122.32 86.63 2.61 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 122.314 1.054 . . . . 0.0 113.026 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.0 mm -50.05 -40.24 53.65 Favored Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.97 -44.98 34.79 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.89 2.394 . . . . 0.0 114.745 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 7.4 mtm -78.35 -30.66 48.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 121.392 -0.817 . . . . 0.0 111.395 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -56.75 -38.07 71.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.837 0.827 . . . . 0.0 110.969 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -82.9 -31.38 27.86 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.188 1.795 . . . . 0.0 114.274 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -49.78 -51.23 40.87 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 91.0 p -65.66 -16.34 63.64 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 68.1 mt -90.17 -9.26 48.85 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.653 1.581 . . . . 0.0 113.578 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 53.8 mmm-85 62.38 24.8 14.79 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.9 14.42 28.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.008 -0.996 . . . . 0.0 112.545 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -67.44 27.08 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.56 -41.27 60.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 164.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . 0.255 22.6 m-85 -86.77 -177.29 6.07 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 112.691 -2.049 . . . . 0.0 106.881 169.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 3.0 m 154.34 -66.86 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -68.52 -26.47 65.45 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.727 0.299 . . . . 0.0 111.662 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.93 -26.56 64.2 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 122.388 1.09 . . . . 0.0 112.139 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.8 mt -104.95 -16.94 14.69 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 113.822 -1.536 . . . . 0.0 110.339 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.6 p -65.67 -23.05 66.7 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.14 1.4 11.62 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.576 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 47.0 m -133.78 128.26 19.77 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.67 159.98 49.45 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.968 1.779 . . . . 0.0 110.663 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.425 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.1 p-90 -61.34 -56.48 19.96 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.847 -171.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.425 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.1 tp -33.36 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 170.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -115.17 -28.26 7.01 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.2 tp -49.49 -55.58 12.78 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 109.707 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.567 HG22 HG21 ' A' ' 509' ' ' VAL 0.328 36.9 pt -43.32 -37.06 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 173.597 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.4 ' CD1' HG13 ' A' ' 481' ' ' ILE . 12.3 m-30 -77.9 5.44 9.68 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 170.75 0.62 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.372 1.082 . . . . 0.0 113.678 174.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -134.28 171.21 14.57 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.561 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.02 -43.42 91.56 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.953 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.97 -46.88 76.47 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 28.0 m -62.77 -38.43 90.57 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.865 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.14 -45.52 94.32 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.81 0.732 . . . . 0.0 111.657 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -37.11 62.48 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 119.023 0.829 . . . . 0.0 111.862 171.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -82.53 -18.43 41.53 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -73.04 -24.68 60.74 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.757 0.423 . . . . 0.0 111.213 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.82 4.49 16.83 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.828 0.705 . . . . 0.0 113.614 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.5 68.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -33.75 68.04 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.2 -0.937 . . . . 0.0 112.789 -168.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.42 136.14 55.31 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.332 0.514 . . . . 0.0 111.855 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.582 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.38 -67.28 2.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.96 -67.1 0.14 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 166.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -45.08 -56.31 4.82 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.2 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -75.08 -26.67 59.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.575 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.71 -47.68 80.14 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.636 1.107 . . . . 0.0 109.302 167.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.38 -38.94 75.03 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.775 0.716 . . . . 0.0 112.846 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -62.49 -57.75 10.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.404 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.17 -52.1 28.59 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.027 0.829 . . . . 0.0 112.483 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.526 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.5 m-30 -51.31 -46.28 62.51 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.55 3.14 . . . . 0.0 113.449 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.52 78.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 120.151 -1.593 . . . . 0.0 112.121 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 9.7 mt -70.67 -69.97 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.567 HG21 HG22 ' A' ' 481' ' ' ILE . 3.7 m -41.81 -55.76 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.723 -1.191 . . . . 0.0 113.94 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.546 HG12 HD12 ' A' ' 481' ' ' ILE . 26.4 mt -38.44 -46.11 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 CA-C-N 119.5 1.046 . . . . 0.0 113.682 170.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.04 -56.08 26.81 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.863 0.727 . . . . 0.0 109.51 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -58.4 -25.91 62.65 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 478' ' ' ILE . 53.5 tttm -71.78 -43.15 66.19 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.482 0.583 . . . . 0.0 111.067 174.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -75.17 -20.05 59.53 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -84.49 -28.33 26.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.679 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . 0.263 29.2 t70 74.66 28.41 1.21 Allowed 'General case' 0 CA--C 1.552 1.019 0 O-C-N 124.698 1.249 . . . . 0.0 113.197 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.9 mp -83.22 -8.37 59.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 38.8 mt -74.9 158.53 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.104 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -84.58 140.54 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 122.399 1.095 . . . . 0.0 110.91 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -58.64 -16.5 16.41 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 114.152 -1.386 . . . . 0.0 114.726 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 20.1 m -75.78 -17.14 59.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.18 72.84 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.031 0.832 . . . . 0.0 112.099 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.909 -1.042 . . . . 0.0 113.244 -175.276 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 43.5 p -67.54 23.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 130.819 3.648 . . . . 0.0 114.888 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.81 130.51 23.67 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 127.165 2.186 . . . . 0.0 110.066 -170.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.81 -24.74 24.52 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.656 1.57 . . . . 0.0 113.286 -169.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -73.72 -45.74 50.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -53.25 55.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.018 172.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.9 mt -56.15 -42.4 76.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.04 -48.4 81.72 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.77 96.98 6.39 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 16.6 mm -45.86 -40.61 16.31 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.03 -44.71 36.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.148 1.899 . . . . 0.0 113.423 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.9 ttp -80.1 -30.12 39.13 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.293 0.497 . . . . 0.0 111.829 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -56.67 -48.02 78.53 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.683 -0.636 . . . . 0.0 111.05 166.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.09 -27.79 61.06 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.025 1.33 . . . . 0.0 113.64 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -54.19 -40.55 67.67 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.762 -0.587 . . . . 0.0 112.409 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 67.7 m -69.71 14.58 0.1 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 81.6 mt -138.66 -12.02 1.33 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.789 2.435 . . . . 0.0 112.689 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.265 1.4 mpt_? 62.04 24.93 14.91 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 123.273 1.511 . . . . 0.0 114.784 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 69.0 mt -104.98 14.77 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 111.878 -2.419 . . . . 0.0 109.046 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -63.96 7.32 0.13 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.08 -30.55 49.67 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -89.59 12.54 16.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.047 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 47.4 t -47.51 -54.06 12.65 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.47 -17.39 59.32 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.32 -17.17 59.56 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.877 174.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 74.4 mt -121.22 -14.99 8.26 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.221 -174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.7 p -64.63 -21.47 66.73 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.12 -1.07 39.13 Favored Glycine 0 CA--C 1.538 1.483 0 CA-C-O 119.103 -0.831 . . . . 0.0 115.141 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.5 m -130.16 127.94 22.68 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 118.194 0.997 . . . . 0.0 109.438 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.64 160.85 48.1 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.424 2.083 . . . . 0.0 111.354 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.422 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 35.5 p-90 -61.11 -53.98 50.33 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.066 -169.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.422 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -35.35 -27.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 172.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.33 -32.6 6.21 Favored 'General case' 0 C--O 1.226 -0.152 0 O-C-N 123.575 0.547 . . . . 0.0 112.395 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.21 -56.82 8.07 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.552 0.691 . . . . 0.0 110.229 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.526 HD12 HG12 ' A' ' 510' ' ' ILE 0.311 38.9 pt -41.91 -37.64 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.418 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.0 m-30 -76.18 -2.12 29.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.89 169.33 1.48 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -129.02 168.32 16.21 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.252 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.17 -41.83 89.35 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.02 -47.57 79.72 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 122.307 -0.246 . . . . 0.0 111.264 173.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 11.4 m -61.8 -36.51 81.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.566 -0.731 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.6 mp -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.55 1.068 . . . . 0.0 111.256 171.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -34.08 57.41 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.766 -0.584 . . . . 0.0 112.053 172.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -85.69 -18.1 34.09 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -23.12 56.31 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.148 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 114.08 17.28 7.36 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 124.162 0.914 . . . . 0.0 113.622 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 22.7 t -107.59 63.37 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.31 -32.71 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.678 -168.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.82 141.5 48.02 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.665 0.666 . . . . 0.0 112.118 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -44.49 93.88 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 174.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.69 -66.31 2.93 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.78 -62.64 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 166.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . 0.433 ' HA ' HD23 ' A' ' 488' ' ' LEU . 26.3 ttm180 -48.43 -56.8 7.25 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -177.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.07 -32.25 70.77 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.948 0.795 . . . . 0.0 112.656 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.92 -34.62 71.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.403 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.33 -52.41 64.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.325 0.966 . . . . 0.0 110.37 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.95 -36.28 74.55 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.719 0.771 . . . . 0.0 112.44 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -59.8 -59.15 5.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.718 168.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.16 -48.34 45.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.199 0.937 . . . . 0.0 112.009 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.508 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.7 m-30 -57.21 -45.21 84.0 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 129.817 3.247 . . . . 0.0 113.712 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.3 -29.81 74.71 Favored Glycine 0 CA--C 1.527 0.801 0 O-C-N 119.814 -1.804 . . . . 0.0 111.802 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.59 -70.45 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.554 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.2 m -41.83 -56.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 117.813 -1.089 . . . . 0.0 113.709 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.554 ' H ' HG23 ' A' ' 509' ' ' VAL . 32.4 mt -39.43 -45.05 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 120.2 1.363 . . . . 0.0 113.405 170.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.7 -55.45 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.7 -29.86 62.87 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 172.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -72.06 -41.27 67.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.233 0.54 . . . . 0.0 111.639 176.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -69.51 -12.47 61.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.436 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -102.59 -22.28 14.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.554 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.34 26.58 2.63 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.41 1.069 . . . . 0.0 113.593 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.11 -8.71 59.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.25 154.34 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.325 1.059 . . . . 0.0 109.426 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.65 125.33 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.502 -1.226 . . . . 0.0 108.501 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -61.51 -7.69 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 40.7 m -71.33 -14.99 62.38 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 169.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.22 64.11 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.797 -169.907 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -68.79 18.51 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 128.64 2.776 . . . . 0.0 114.789 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.73 128.99 29.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 C-N-CA 125.441 1.496 . . . . 0.0 110.333 -169.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.19 -32.39 82.69 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.762 2.308 . . . . 0.0 114.165 -171.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -79.09 -32.61 44.75 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.304 0.241 . . . . 0.0 110.579 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.77 -49.85 35.25 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.41 0.284 . . . . 0.0 110.583 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.08 -38.07 72.79 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.77 -47.54 65.94 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.096 -1.003 . . . . 0.0 112.85 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -98.02 83.02 3.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.501 0.667 . . . . 0.0 112.009 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 28.8 mm -46.29 -40.41 18.14 Favored Pre-proline 0 N--CA 1.486 1.328 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.39 -36.08 68.86 Favored 'Trans proline' 0 C--N 1.353 0.775 0 CA-C-N 122.6 1.964 . . . . 0.0 112.919 174.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.3 ttp -77.45 -26.27 51.32 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.06 0.845 . . . . 0.0 111.706 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.6 -50.01 75.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.785 -0.572 . . . . 0.0 110.652 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -70.33 -27.15 64.14 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.437 1.095 . . . . 0.0 113.688 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -55.49 -42.26 74.17 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 167.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 47.6 m -66.74 14.88 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 175.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 86.4 mt -139.27 -16.04 1.08 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.854 2.462 . . . . 0.0 112.725 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 61.32 25.67 15.6 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 123.097 1.427 . . . . 0.0 114.343 -173.42 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 49.3 mt -105.48 13.97 29.35 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 111.988 -2.369 . . . . 0.0 108.698 168.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -64.48 11.31 0.05 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -71.19 -36.16 71.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.266 1.031 . . . . 0.0 109.869 171.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -94.75 16.11 16.63 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.151 -1.841 . . . . 0.0 111.15 -170.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -53.49 -38.24 63.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.99 -26.85 43.31 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.854 0.752 . . . . 0.0 112.347 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.08 62.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.271 0.557 . . . . 0.0 111.019 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.0 mt -107.07 -13.84 15.08 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.283 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 45.4 t -61.19 -24.08 66.06 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.87 2.88 10.94 Favored Glycine 0 CA--C 1.541 1.66 0 N-CA-C 115.746 1.058 . . . . 0.0 115.746 173.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 76.7 m -137.76 127.87 15.43 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 118.51 1.155 . . . . 0.0 109.817 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.46 158.95 50.29 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.203 1.935 . . . . 0.0 111.241 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.449 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.0 p-90 -60.23 -56.31 23.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 118.971 -0.537 . . . . 0.0 111.068 -172.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.5 tp -34.84 -26.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 172.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -114.77 -33.42 5.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.788 0.435 . . . . 0.0 111.675 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 483' ' ' LEU . 11.7 tp -45.57 -57.91 3.81 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.825 0.703 . . . . 0.0 110.78 174.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 510' ' ' ILE 0.312 42.1 pt -42.12 -35.23 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.136 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.95 2.99 28.13 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.7 mm? -57.44 168.34 0.82 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 175.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -127.09 166.88 16.79 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.833 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.77 -37.95 86.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.259 -0.276 . . . . 0.0 111.368 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.4 m -60.09 -38.77 83.92 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.26 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -51.43 67.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.703 0.683 . . . . 0.0 111.202 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.71 -40.5 72.5 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.01 -11.62 56.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -92.95 -15.65 26.04 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 120.41 12.53 6.17 Favored Glycine 0 N--CA 1.475 1.247 0 CA-C-O 119.886 -0.397 . . . . 0.0 114.041 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.8 64.55 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -28.9 66.33 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -166.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.85 142.15 47.98 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.322 0.965 . . . . 0.0 112.199 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.0 -41.35 99.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.345 168.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.16 -68.32 1.75 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.42 -65.06 0.19 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -56.93 -45.71 82.55 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -170.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 46.5 ttm-85 -63.63 -34.09 77.05 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.654 0.661 . . . . 0.0 111.881 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -69.44 -31.6 70.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.915 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.31 -47.73 81.01 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.633 1.106 . . . . 0.0 110.384 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.27 -37.62 78.08 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -64.44 -55.95 17.44 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.186 171.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.2 -48.44 45.28 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.209 0.943 . . . . 0.0 112.037 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.557 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.6 m-30 -55.22 -48.25 74.18 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 128.925 2.89 . . . . 0.0 113.533 172.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.54 -29.22 73.97 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 119.987 -1.696 . . . . 0.0 112.026 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.6 mt -71.03 -70.32 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.506 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.3 m -41.67 -56.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 C-N-CA 118.716 -1.193 . . . . 0.0 113.624 176.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.565 HG12 HD12 ' A' ' 481' ' ' ILE . 37.6 mt -38.93 -44.71 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.02 -54.64 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.981 0.801 . . . . 0.0 109.086 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -57.72 -29.31 64.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.35 -41.18 73.49 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 118.322 0.51 . . . . 0.0 111.017 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -76.9 -18.06 58.55 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -85.59 -22.46 28.03 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.563 170.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 14.6 t70 83.87 15.89 0.26 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 125.747 1.904 . . . . 0.0 112.751 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.09 -5.88 46.56 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.25 132.89 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.613 0.72 . . . . 0.0 111.307 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 521' ' ' SER . 10.7 m-20 -70.3 9.42 0.6 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -172.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.257 37.6 mmt-85 51.98 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.348 0.51 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 -168.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 519' ' ' ASP . 34.0 m -93.2 -15.86 25.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.509 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.19 -27.72 63.71 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.999 -176.645 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.853 0.359 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . 0.411 HG21 ' CG ' ' A' ' 512' ' ' TYR . 74.2 p -69.17 15.94 0.06 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 131.256 3.822 . . . . 0.0 114.399 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.7 131.64 28.94 Favored Pre-proline 0 N--CA 1.467 0.419 0 C-N-CA 127.057 2.143 . . . . 0.0 109.967 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.6 -25.04 21.31 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.472 1.448 . . . . 0.0 113.474 -169.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -73.78 -41.06 62.95 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.02 -52.07 27.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.577 172.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.88 -40.17 75.7 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.29 -40.91 96.91 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.11 87.05 2.42 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.0 mm -46.78 -41.93 30.51 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.11 -38.63 94.55 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.705 2.27 . . . . 0.0 114.988 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.7 ttp -81.9 -29.04 32.55 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.757 -0.589 . . . . 0.0 111.174 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -58.13 -47.17 84.12 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.951 -0.468 . . . . 0.0 111.027 166.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.6 tp -66.24 -23.47 66.42 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -54.55 -41.1 69.39 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 166.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.2 m -68.44 -14.42 62.99 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.82 -4.1 33.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.973 1.309 . . . . 0.0 112.985 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.292 21.8 mmt180 58.89 38.75 24.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.654 1.216 . . . . 0.0 113.826 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.77 -59.38 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 112.026 -2.352 . . . . 0.0 107.411 167.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 30.13 30.47 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -176.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -118.17 -39.07 3.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.624 0.726 . . . . 0.0 110.316 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -82.66 14.47 3.12 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.756 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 14.6 m -53.77 -31.44 48.66 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.94 -27.29 30.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.943 0.792 . . . . 0.0 112.497 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 122.215 1.007 . . . . 0.0 111.017 174.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.8 mt -95.54 -11.59 27.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.062 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 13.1 t -68.37 174.99 3.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.796 0.808 . . . . 0.0 110.925 167.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.93 5.39 39.4 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 121.646 -0.659 . . . . 0.0 112.781 -167.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.4 m -137.27 117.86 10.67 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -70.27 160.91 47.93 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.329 2.019 . . . . 0.0 110.44 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -61.65 -55.73 27.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.126 -171.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -33.83 -27.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 170.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -113.35 -28.84 7.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 483' ' ' LEU . 12.1 tp -51.36 -54.77 23.15 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.722 0.772 . . . . 0.0 109.441 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.567 HG22 HG21 ' A' ' 509' ' ' VAL 0.324 37.8 pt -43.46 -34.92 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 173.033 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -81.44 4.81 19.68 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 480' ' ' LEU . 2.3 mm? -59.16 168.12 1.51 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 122.492 1.139 . . . . 0.0 112.819 172.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.0 168.25 15.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.535 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -58.3 -43.99 88.32 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.83 -44.39 96.94 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.955 -0.466 . . . . 0.0 111.621 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.6 m -66.83 -35.66 80.56 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.357 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -45.73 93.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.253 1.388 . . . . 0.0 110.687 171.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -37.11 62.96 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.611 -0.681 . . . . 0.0 111.613 171.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -84.82 -17.92 36.58 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -72.02 -35.03 69.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.427 0.558 . . . . 0.0 110.517 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 126.58 19.5 2.06 Favored Glycine 0 CA--C 1.535 1.337 0 O-C-N 124.253 0.97 . . . . 0.0 113.292 -169.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.76 63.65 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -176.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -31.95 69.07 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 114.471 -1.24 . . . . 0.0 114.129 -168.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.25 142.92 52.27 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.575 0.625 . . . . 0.0 110.538 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.54 -44.8 89.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.987 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.03 -64.05 4.4 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.81 -62.9 0.28 Allowed 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.544 0.791 . . . . 0.0 112.965 167.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 32.6 ttp-105 -53.84 -50.3 66.52 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -60.11 -37.43 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 111.947 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -65.16 -32.23 73.81 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.846 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.35 -47.91 69.05 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.758 0.708 . . . . 0.0 110.549 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.36 -38.73 81.16 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.091 0.86 . . . . 0.0 113.103 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -62.71 -56.66 15.57 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.602 172.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.5 43.14 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 124.202 0.939 . . . . 0.0 112.64 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.556 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -54.35 -46.41 72.93 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 128.847 2.859 . . . . 0.0 113.281 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 -30.01 75.87 Favored Glycine 0 CA--C 1.525 0.711 0 O-C-N 119.842 -1.786 . . . . 0.0 112.015 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.77 -70.86 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.573 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.0 m -41.87 -57.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 CA-C-O 117.655 -1.164 . . . . 0.0 113.755 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.573 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.6 mt -39.4 -45.16 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 CA-C-N 120.018 1.281 . . . . 0.0 112.926 170.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.44 -54.96 41.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . 0.411 ' CG ' HG21 ' A' ' 448' ' ' THR . 7.1 m-85 -59.47 -29.84 68.1 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.426 ' HE2' HD11 ' A' ' 478' ' ' ILE . 56.3 tttm -68.94 -42.57 76.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.447 0.567 . . . . 0.0 110.411 176.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.95 -13.27 62.16 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.367 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -97.77 -21.39 16.99 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.329 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.23 20.89 1.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.912 1.383 . . . . 0.0 113.126 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -4.95 46.71 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.35 139.81 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.659 0.742 . . . . 0.0 110.514 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -75.49 148.58 38.89 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 123.037 1.399 . . . . 0.0 110.326 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -67.31 -6.82 20.32 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 49.2 m -98.3 -9.01 26.12 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.7 73.39 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.723 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.546 -178.72 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -62.74 20.24 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 130.683 3.593 . . . . 0.0 114.947 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.99 128.22 32.82 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 126.915 2.086 . . . . 0.0 109.324 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.76 -23.81 30.37 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 121.812 1.675 . . . . 0.0 113.627 -168.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -48.46 79.81 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.071 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.77 -40.05 78.86 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.28 -49.36 78.12 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.205 -0.934 . . . . 0.0 113.481 171.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.03 101.15 8.5 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.685 1.231 . . . . 0.0 113.848 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.97 -37.3 13.45 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-N 113.086 -1.87 . . . . 0.0 115.515 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -54.06 -38.19 87.0 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.584 2.189 . . . . 0.0 115.042 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 39.5 mtp -76.63 -41.02 47.44 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.259 -0.9 . . . . 0.0 110.753 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -53.02 -48.48 67.53 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.216 0.531 . . . . 0.0 112.231 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.03 -25.04 61.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.855 1.662 . . . . 0.0 113.476 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.14 -48.33 44.84 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -58.74 -16.85 18.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 125.687 1.867 . . . . 0.0 115.524 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 78.7 mt -101.79 -8.26 21.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.318 1.447 . . . . 0.0 113.94 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.255 34.2 mmt180 64.32 14.73 8.95 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -170.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 88.1 mt -99.59 13.98 31.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.178 175.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -62.76 13.17 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -78.87 -33.86 45.46 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.726 0.774 . . . . 0.0 108.913 167.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -91.82 11.29 25.26 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.778 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 57.8 m -51.54 -35.14 39.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.78 -26.15 44.41 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 112.736 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -77.99 -21.34 51.0 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.194 0.521 . . . . 0.0 110.697 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . 0.407 HD23 ' HE3' ' A' ' 491' ' ' LYS . 69.8 mt -110.3 -15.79 13.88 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.904 -175.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 38.6 t -72.18 -12.5 61.2 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -72.62 1.83 34.86 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 114.603 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 4.0 m -138.78 134.09 16.96 Favored Pre-proline 0 N--CA 1.474 0.726 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.52 161.28 44.56 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.443 2.095 . . . . 0.0 111.368 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.443 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -61.94 -56.56 17.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.477 -172.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.443 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -34.08 -26.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 171.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -115.34 -27.92 7.06 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.41 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.9 tp -48.94 -55.78 10.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.673 0.749 . . . . 0.0 109.677 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.563 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.329 38.1 pt -42.97 -36.31 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 174.007 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.405 ' CD1' HG13 ' A' ' 481' ' ' ILE . 15.0 m-30 -80.12 2.19 25.03 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -178.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.16 169.65 1.52 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 122.493 1.14 . . . . 0.0 112.793 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -130.73 167.37 18.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.673 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.59 -43.6 84.76 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.31 -45.27 76.99 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.929 -0.482 . . . . 0.0 111.885 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 48.3 m -62.04 -40.53 96.08 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.848 -0.532 . . . . 0.0 110.595 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.56 -47.43 86.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.976 0.353 . . . . 0.0 111.174 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -53.0 -41.25 64.45 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 117.973 0.351 . . . . 0.0 111.702 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.15 -11.78 57.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . 0.407 ' HE3' HD23 ' A' ' 472' ' ' LEU . 20.9 ttpt -88.35 -12.34 43.67 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.02 16.58 6.7 Favored Glycine 0 N--CA 1.474 1.215 0 O-C-N 123.56 0.537 . . . . 0.0 113.527 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.6 t -109.04 64.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.4 -26.78 61.13 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.366 -1.288 . . . . 0.0 114.289 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.67 140.5 44.27 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.555 0.616 . . . . 0.0 111.547 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.72 -44.23 93.81 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.17 168.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.28 -66.18 3.03 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.72 -67.84 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 O-C-N 124.833 0.961 . . . . 0.0 113.13 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -46.53 -54.85 8.52 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -177.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -59.02 -36.18 74.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.62 -27.9 64.43 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 118.098 -0.954 . . . . 0.0 112.549 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.51 -49.63 68.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.3 0.954 . . . . 0.0 109.596 169.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.11 -37.31 74.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -63.27 -58.89 5.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.789 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.91 50.05 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.161 0.913 . . . . 0.0 112.348 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.563 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.57 -49.63 75.76 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 130.258 3.423 . . . . 0.0 113.203 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.81 -29.73 75.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 119.778 -1.826 . . . . 0.0 111.812 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 26.3 mt -70.51 -71.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.51 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.4 -54.97 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.303 177.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.51 ' H ' HG23 ' A' ' 509' ' ' VAL . 41.5 mt -38.93 -47.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-N 119.824 1.193 . . . . 0.0 113.528 170.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.04 -55.29 37.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.985 0.898 . . . . 0.0 109.741 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -58.7 -27.68 65.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.411 ' HE2' HD11 ' A' ' 478' ' ' ILE . 59.3 tttm -68.88 -45.3 71.34 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 122.9 0.48 . . . . 0.0 110.759 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.06 -19.31 61.2 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -88.88 -25.68 22.01 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.161 172.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.53 27.08 3.92 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.586 1.179 . . . . 0.0 113.061 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.09 -7.18 56.64 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.92 157.37 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.071 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.42 139.37 39.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.283 1.039 . . . . 0.0 109.589 174.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.57 -12.54 33.63 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 18.4 m -75.93 -15.96 60.09 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.4 75.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.359 0.981 . . . . 0.0 112.074 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--O 1.252 1.228 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.948 -176.726 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.809 0.337 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 68.4 p -71.06 15.88 0.1 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.443 3.497 . . . . 0.0 115.334 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.81 134.3 23.27 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 126.175 1.79 . . . . 0.0 110.241 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.65 -24.83 25.15 Favored 'Trans proline' 0 C--N 1.345 0.373 0 CA-C-N 121.345 1.516 . . . . 0.0 113.347 -169.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -75.65 -40.77 55.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.19 -49.87 52.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.974 170.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.21 -38.98 81.23 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.205 0.457 . . . . 0.0 111.991 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -73.17 -26.33 61.14 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 171.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -118.39 83.05 1.95 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.505 0.669 . . . . 0.0 111.687 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.2 mm -49.04 -41.68 55.63 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -172.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.36 -37.1 88.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.653 2.235 . . . . 0.0 114.035 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 27.5 ttp -81.33 -30.63 33.79 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.837 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -57.06 -50.26 73.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.509 0.671 . . . . 0.0 111.387 168.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.0 tp -62.95 -27.96 69.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.666 1.186 . . . . 0.0 112.364 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 466' ' ' HIS . 0.9 OUTLIER -56.95 -7.08 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.462 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.4 m -99.26 5.62 46.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.85 -13.42 6.37 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -174.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . 0.483 ' HA ' ' NE2' ' A' ' 466' ' ' HIS 0.372 46.1 mmt-85 64.97 30.4 11.87 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 123.325 1.536 . . . . 0.0 114.029 -171.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 56.8 mt -116.57 11.54 14.79 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 111.364 -2.653 . . . . 0.0 110.632 173.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . 0.606 ' CD2' ' HA ' ' A' ' 461' ' ' LYS . 2.6 p80 -69.3 20.39 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -177.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -91.7 -26.82 18.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.023 168.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -89.93 10.65 23.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.938 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -50.85 -35.6 33.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.25 -27.77 47.66 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.542 1.064 . . . . 0.0 112.57 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.96 -27.64 61.95 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.395 0.617 . . . . 0.0 110.55 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 59.6 mt -104.1 -16.75 15.17 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.126 -174.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 43.7 t -66.43 -19.35 65.77 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.84 0.08 23.23 Favored Glycine 0 CA--C 1.542 1.729 0 N-CA-C 115.756 1.063 . . . . 0.0 115.756 174.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 55.1 m -137.11 133.0 18.3 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.954 0.877 . . . . 0.0 109.376 -177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.34 160.23 49.38 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.985 1.79 . . . . 0.0 111.185 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.9 p-90 -60.35 -57.64 11.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.952 -0.547 . . . . 0.0 110.62 -171.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.7 tp -34.39 -26.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 171.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -114.33 -30.82 6.47 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.2 tp -47.93 -56.66 7.08 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.78 0.8 . . . . 0.0 109.817 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.542 HD12 HG12 ' A' ' 510' ' ' ILE 0.322 38.5 pt -43.07 -35.7 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 174.269 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.416 ' CD1' HG13 ' A' ' 481' ' ' ILE . 15.9 m-30 -80.13 0.49 31.97 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -178.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.34 170.72 0.91 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.255 1.026 . . . . 0.0 113.646 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -128.03 165.59 20.02 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.356 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -57.71 -41.4 81.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.6 -41.67 79.27 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.777 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 8.8 m -62.68 -39.39 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.436 -0.79 . . . . 0.0 110.954 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 499' ' ' ARG . 4.2 mp -54.69 -54.77 37.38 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.413 173.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.48 -29.86 70.9 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 121.193 1.815 . . . . 0.0 113.284 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -73.76 -16.93 61.15 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -88.83 -13.76 38.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.99 14.39 7.89 Favored Glycine 0 N--CA 1.476 1.351 0 O-C-N 123.662 0.601 . . . . 0.0 113.966 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -107.2 65.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 122.519 1.152 . . . . 0.0 108.156 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -38.6 77.24 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.612 -1.176 . . . . 0.0 113.174 -168.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.9 134.23 49.31 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -59.42 -41.54 89.77 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.31 -67.3 2.27 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.54 -62.32 0.35 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 166.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . 0.459 ' HA ' HD23 ' A' ' 488' ' ' LEU . 8.5 ttm180 -49.98 -58.71 4.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -59.51 -33.56 71.5 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.743 0.702 . . . . 0.0 111.921 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.85 -32.66 71.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.65 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.05 -49.64 75.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.364 0.984 . . . . 0.0 110.28 168.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.55 -34.83 74.71 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.866 0.841 . . . . 0.0 112.964 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.25 -58.83 6.27 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.148 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.09 -45.69 32.92 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.029 0.831 . . . . 0.0 112.223 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.538 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.3 m-30 -58.35 -46.67 85.83 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 129.889 3.276 . . . . 0.0 113.208 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.26 74.85 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 119.803 -1.81 . . . . 0.0 111.896 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.8 mt -69.75 -71.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.528 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.8 m -41.36 -56.83 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.676 177.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.542 HG12 HD12 ' A' ' 481' ' ' ILE . 36.7 mt -39.29 -45.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 119.694 1.133 . . . . 0.0 113.301 170.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.57 -54.64 44.77 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.6 -29.47 68.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 174.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -67.36 -44.58 78.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.648 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.19 -10.76 60.3 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.409 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.72 -21.38 13.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.453 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.3 t70 71.73 25.34 3.25 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.308 1.005 . . . . 0.0 113.193 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.57 -6.7 56.26 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 45.1 mt -79.93 157.06 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 122.553 1.168 . . . . 0.0 109.677 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -75.69 140.89 42.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.82 1.295 . . . . 0.0 110.468 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' A' ' 523' ' ' TYR 0.263 15.7 tpt85 -50.95 -28.46 9.85 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 112.51 -2.132 . . . . 0.0 113.266 170.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 22.2 m -72.78 -14.64 61.57 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.88 60.67 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.691 1.132 . . . . 0.0 111.513 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 520' ' ' ARG . 13.1 m-30 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.98 -173.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 CA--C 1.534 0.329 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 16.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 1 C-N-CA 133.41 4.684 . . . . 0.0 114.277 -174.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.25 121.32 63.99 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 126.446 1.899 . . . . 0.0 109.129 -171.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.44 -22.52 38.94 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.161 1.907 . . . . 0.0 112.908 -169.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -71.47 -53.43 13.98 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -60.26 -47.25 86.79 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.663 175.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.26 -41.49 88.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -59.01 -50.55 73.68 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.43 -0.794 . . . . 0.0 112.833 170.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.25 98.35 7.06 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.952 1.358 . . . . 0.0 113.54 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.1 mm -45.43 -39.41 10.01 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.273 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.95 -44.73 26.84 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.695 2.264 . . . . 0.0 115.577 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.6 mtp -80.25 -31.7 38.43 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.838 0.745 . . . . 0.0 111.027 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -52.12 -49.86 62.83 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.51 -0.744 . . . . 0.0 112.531 170.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.01 -28.33 65.41 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 173.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -53.34 -46.96 69.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.137 1.335 . . . . 0.0 112.98 173.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.9 m -65.15 -2.3 2.8 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.5 mt -120.44 -2.88 9.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.245 1.818 . . . . 0.0 114.293 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 62.19 13.26 5.7 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -169.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 92.1 mt -95.87 10.63 36.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.411 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -66.83 13.78 0.05 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -88.84 -28.44 20.4 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 171.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -99.7 6.44 45.57 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.024 -175.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 56.3 m -49.73 -36.12 24.48 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.52 -31.47 47.58 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.57 -17.87 63.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.121 174.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 46.4 mt -112.54 -13.27 13.35 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.762 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.2 t -67.76 -21.0 65.29 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -68.21 -0.57 16.33 Favored Glycine 0 CA--C 1.54 1.653 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.789 170.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.4 m -134.37 128.83 19.44 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 117.854 0.827 . . . . 0.0 109.506 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.14 161.53 44.37 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.269 1.98 . . . . 0.0 111.231 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 32.2 p-90 -61.05 -56.94 15.08 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.481 -171.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.6 tp -34.36 -27.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 171.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -109.4 -34.55 6.5 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.993 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.8 tp -46.16 -57.61 4.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 124.132 0.895 . . . . 0.0 110.49 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.701 HG22 HG21 ' A' ' 509' ' ' VAL 0.332 37.3 pt -42.66 -35.7 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 175.184 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -81.43 2.03 30.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -59.28 167.94 1.64 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.418 1.104 . . . . 0.0 113.229 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -127.78 164.77 21.44 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.027 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -58.74 -38.79 79.18 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.21 -41.8 76.61 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 23.6 m -62.73 -39.76 95.07 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 120.973 -1.08 . . . . 0.0 110.731 173.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -55.31 29.39 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.025 174.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -65.01 -28.1 69.27 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 121.456 1.935 . . . . 0.0 114.051 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.42 -11.57 59.91 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.945 -1.097 . . . . 0.0 113.658 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.01 -12.76 21.57 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 119.79 11.5 7.07 Favored Glycine 0 N--CA 1.477 1.4 0 O-C-N 123.282 0.364 . . . . 0.0 113.919 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.13 62.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.683 1.23 . . . . 0.0 108.388 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -32.97 74.73 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -168.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.67 144.18 56.53 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.451 0.643 . . . . 0.0 111.122 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -35.1 76.64 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.62 -0.675 . . . . 0.0 111.05 169.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.44 -63.61 4.54 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.7 -68.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.946 1.027 . . . . 0.0 113.578 168.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -55.87 -45.29 78.56 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.993 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.23 -34.17 75.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.988 0.813 . . . . 0.0 112.117 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.74 -34.93 77.81 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.927 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.62 -51.69 64.15 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.658 0.663 . . . . 0.0 110.021 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -36.49 73.83 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt -63.96 -56.65 13.6 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.35 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -52.23 -45.5 65.32 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 122.426 1.107 . . . . 0.0 112.351 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.569 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.2 m-30 -54.69 -37.66 66.08 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 128.356 2.662 . . . . 0.0 112.608 169.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.23 -32.31 75.99 Favored Glycine 0 CA--C 1.524 0.605 0 O-C-N 119.753 -1.842 . . . . 0.0 112.549 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 2.3 mp -63.31 -72.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 119.709 1.754 . . . . 0.0 109.201 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.701 HG21 HG22 ' A' ' 481' ' ' ILE . 4.2 m -41.54 -60.19 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-O 118.013 -0.994 . . . . 0.0 113.369 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' ILE . . . . . 0.653 ' H ' HG23 ' A' ' 509' ' ' VAL . 27.6 mt -38.55 -46.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 171.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.46 -56.85 16.45 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.18 -28.69 65.01 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.418 ' HE2' HD11 ' A' ' 478' ' ' ILE . 57.5 tttm -70.11 -42.74 72.24 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 122.647 0.379 . . . . 0.0 110.273 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.46 -21.76 59.44 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -83.73 -22.18 32.06 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.889 171.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.2 t70 73.96 22.88 2.32 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 124.925 1.391 . . . . 0.0 113.058 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -3.95 45.23 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.0 mm -57.25 143.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.716 0.77 . . . . 0.0 109.939 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 521' ' ' SER . 12.8 m-20 -69.0 3.29 2.11 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 177.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.294 14.5 mmt180 47.29 7.64 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 118.831 2.9 . . . . 0.0 118.831 -167.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 519' ' ' ASP . 66.8 m -104.73 -12.52 16.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.633 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.32 -27.43 67.15 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 172.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--O 1.255 1.375 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -175.202 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.2 166.98 28.26 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.213 2.608 . . . . 0.0 112.296 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -134.06 -10.96 2.6 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 50.9 m -141.17 -80.33 0.25 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.703 1.201 . . . . 0.0 111.702 -175.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 21.6 mt 63.4 -37.65 0.17 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 129.322 3.049 . . . . 0.0 115.47 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.4 p -68.63 27.26 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 130.734 3.614 . . . . 0.0 113.645 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -108.03 126.78 28.96 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 126.974 2.11 . . . . 0.0 108.985 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -70.44 -24.84 26.12 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 121.924 1.749 . . . . 0.0 113.235 -168.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.06 -41.8 61.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -48.68 64.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 171.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.8 -43.12 90.46 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.475 0.58 . . . . 0.0 112.092 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -68.11 -29.68 68.66 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.36 82.99 1.84 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.291 0.567 . . . . 0.0 111.827 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 33.8 mm -46.11 -42.71 28.62 Favored Pre-proline 0 N--CA 1.486 1.341 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.56 -41.74 59.23 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 122.558 2.172 . . . . 0.0 114.255 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.6 ttp -84.12 -26.0 29.25 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.744 -0.598 . . . . 0.0 111.883 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -58.64 -46.7 86.56 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.574 0.702 . . . . 0.0 110.161 166.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.27 -25.76 59.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.057 1.743 . . . . 0.0 114.385 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -54.42 -47.82 72.36 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.4 m -64.82 -2.7 2.71 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.3 mt -119.86 2.04 11.03 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.561 1.945 . . . . 0.0 113.653 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 57.99 16.39 3.72 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 20.4 mt -104.33 7.1 35.67 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -60.08 6.15 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -86.23 -28.52 23.79 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.596 0.712 . . . . 0.0 109.984 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -91.96 12.3 22.23 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.877 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 80.5 p -57.79 -32.05 67.15 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.951 -1.093 . . . . 0.0 113.776 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.95 -25.95 40.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.376 0.989 . . . . 0.0 112.329 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.79 -28.02 60.56 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.902 0.858 . . . . 0.0 111.271 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.06 -13.08 18.36 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.142 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 21.6 t -69.95 174.96 4.74 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.567 0.699 . . . . 0.0 111.343 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.07 8.42 49.5 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.534 -0.729 . . . . 0.0 113.168 -168.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 44.3 m -139.29 121.05 9.98 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.94 160.76 46.84 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.108 1.872 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.3 p-90 -61.2 -56.51 19.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.276 -173.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.42 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -34.17 -26.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -113.05 -38.76 4.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.757 0.423 . . . . 0.0 111.903 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 6.6 tp -45.51 -60.14 2.34 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.524 0.515 . . . . 0.0 109.723 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.563 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.276 38.8 pt -41.13 -36.39 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 176.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.408 ' CD1' HG13 ' A' ' 481' ' ' ILE . 11.7 m-30 -74.77 -6.13 47.19 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 155.34 0.97 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 124.458 2.075 . . . . 0.0 115.493 172.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -113.27 166.68 11.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 109.446 -3.525 . . . . 0.0 111.413 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.41 -41.14 72.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.58 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.827 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 5.7 m -58.2 -44.98 88.37 Favored 'General case' 0 C--O 1.223 -0.322 0 O-C-N 121.44 -0.788 . . . . 0.0 110.689 173.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -48.49 81.45 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.526 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -64.43 -27.95 69.34 Favored 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 118.81 -2.431 . . . . 0.0 113.086 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -78.63 -19.53 52.44 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -74.4 -31.68 62.42 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.289 0.495 . . . . 0.0 110.926 172.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 122.27 14.57 4.45 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.853 0.721 . . . . 0.0 113.662 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -102.39 63.87 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 122.188 0.994 . . . . 0.0 108.48 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.17 -29.64 64.21 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -168.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.69 139.71 58.8 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.863 0.756 . . . . 0.0 111.201 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.64 -44.14 94.74 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.121 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -63.05 -59.49 8.98 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.16 -69.46 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 167.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.01 -45.67 79.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -57.46 -38.96 75.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.697 0.399 . . . . 0.0 111.645 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.83 -25.22 56.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.123 -0.942 . . . . 0.0 112.243 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.78 -48.98 74.72 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 119.631 1.105 . . . . 0.0 109.114 167.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.8 mt -57.42 -37.48 72.84 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -62.62 -60.11 3.98 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.38 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.54 -47.4 39.26 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.078 0.861 . . . . 0.0 112.194 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.563 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.7 m-30 -58.15 -47.05 84.56 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 129.347 3.059 . . . . 0.0 113.911 174.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.54 -29.66 75.77 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 119.877 -1.765 . . . . 0.0 111.716 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.5 mt -70.73 -70.69 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.551 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.7 m -42.08 -56.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.564 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.551 ' H ' HG23 ' A' ' 509' ' ' VAL . 35.7 mt -39.8 -44.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 CA-C-N 119.645 1.111 . . . . 0.0 113.348 170.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.38 -55.12 39.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.95 -28.58 67.76 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.698 1.369 . . . . 0.0 114.698 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -67.08 -45.45 77.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.512 0.672 . . . . 0.0 110.703 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -71.04 -12.08 61.32 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.493 -1.231 . . . . 0.0 112.407 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -102.66 -19.9 14.62 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.234 -0.889 . . . . 0.0 112.096 174.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.8 t70 77.57 18.74 1.28 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 124.686 1.241 . . . . 0.0 113.455 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.3 mp -76.12 -10.02 59.08 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 36.3 mt -79.68 152.86 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 122.39 1.09 . . . . 0.0 110.227 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.45 147.51 32.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.523 1.154 . . . . 0.0 110.141 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 41.9 mmt-85 -63.04 -15.37 56.27 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.51 -1.223 . . . . 0.0 114.096 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 16.3 m -76.7 -16.72 59.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.9 77.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.361 0.982 . . . . 0.0 111.833 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.253 1.279 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.176 -175.679 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 C4'-C3'-C2' 99.422 -3.278 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.857 0 C4'-C3'-C2' 98.969 -3.731 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.955 1 C4'-C3'-C2' 98.476 -4.224 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C5'-C4'-O4' 114.244 3.603 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C5'-C4'-O4' 113.227 2.877 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.948 0 C5'-C4'-C3' 109.591 -3.94 . 0.855 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 0 C4'-C3'-C2' 99.729 -2.971 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O4'-C1'-N19 111.841 3.641 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C5'-C4'-C3' 110.969 -3.021 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.396 4 C5'-C4'-C3' 106.687 -5.875 . 0.455 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.475 0 O5'-C5'-C4' 112.997 1.998 . 0.08 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 1 O5'-C5'-C4' 116.382 4.416 . 0.43 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 C5'-C4'-C3' 110.529 -3.314 . 0.031 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 C4'-C3'-C2' 98.572 -4.128 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 1 P-O3'-C3' 125.489 4.824 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.87 0 C4'-C3'-C2' 99.301 -3.399 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 2 O4'-C1'-N19 113.311 5.111 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 2 O4'-C1'-N19 112.834 4.634 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 O4'-C1'-N19 112.509 4.309 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.862 0 C5'-C4'-C3' 110.022 -3.652 . 0.951 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 1 C4'-C3'-C2' 98.512 -4.188 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 1 C4'-C3'-C2' 98.399 -4.301 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 111.752 3.552 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 117.049 -1.453 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -66.71 167.8 18.37 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.026 1.817 . . . . 0.0 112.333 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -58.11 -67.18 0.37 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.44 1.096 . . . . 0.0 110.968 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 11.2 t -161.97 -26.84 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.541 1.936 . . . . 0.0 112.206 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 22.7 mt 65.36 -33.39 0.17 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 129.794 3.238 . . . . 0.0 114.981 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . 0.474 HG21 ' CG ' ' A' ' 512' ' ' TYR . 67.7 p -73.5 22.37 0.08 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.832 2.853 . . . . 0.0 113.085 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.18 125.98 45.99 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 127.726 2.411 . . . . 0.0 108.45 -170.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.83 -25.19 33.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 121.718 1.612 . . . . 0.0 113.262 -169.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.26 -43.19 57.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.627 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.75 -49.09 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.373 0.421 . . . . 0.0 110.645 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 60.3 mt -57.73 -43.51 85.35 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.24 0.473 . . . . 0.0 111.931 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -70.44 -25.68 63.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -118.36 82.74 1.89 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.513 0.673 . . . . 0.0 111.833 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 31.5 mm -46.67 -41.6 27.39 Favored Pre-proline 0 N--CA 1.486 1.347 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.73 -40.95 77.91 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.42 2.08 . . . . 0.0 113.876 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.2 ttp -82.38 -26.17 33.1 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.721 -0.612 . . . . 0.0 111.815 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -60.11 -46.42 89.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.749 -0.594 . . . . 0.0 110.394 166.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.5 -30.39 64.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.795 1.238 . . . . 0.0 113.583 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -53.2 -43.53 67.27 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 167.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.1 m -66.1 -3.27 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.57 -6.18 12.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.203 1.801 . . . . 0.0 113.218 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 60.51 25.34 14.98 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -170.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 69.8 mt -109.66 15.72 22.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.731 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -62.95 19.07 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -80.63 -25.48 38.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.375 0.607 . . . . 0.0 109.604 170.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.7 16.31 21.48 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.853 -1.521 . . . . 0.0 111.5 -171.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 65.1 m -51.63 -49.26 62.61 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.26 -24.36 60.45 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.005 0.821 . . . . 0.0 112.343 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.92 -21.52 54.74 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.377 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.5 mt -108.89 -18.56 13.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.858 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 37.6 m -68.71 -14.05 62.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.72 -0.78 42.76 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.893 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -132.42 130.41 21.84 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 158.63 54.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 121.97 1.78 . . . . 0.0 111.192 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.68 -54.36 46.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.464 -171.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.8 tp -35.0 -27.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -116.9 -29.89 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.932 0.493 . . . . 0.0 111.98 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 12.2 tp -48.68 -55.28 11.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.908 0.861 . . . . 0.0 110.683 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.572 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.315 40.6 pt -42.39 -33.18 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 173.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -85.52 5.63 30.59 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.98 169.69 1.42 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.142 0.972 . . . . 0.0 112.576 171.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.96 164.92 23.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.882 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -51.76 -48.07 63.87 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.123 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.59 -45.77 88.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.896 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 55.8 m -64.37 -36.64 84.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 118.69 -0.671 . . . . 0.0 111.091 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -49.8 75.69 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.976 0.807 . . . . 0.0 110.965 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.19 -37.72 67.43 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 122.013 -0.43 . . . . 0.0 112.065 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -87.26 -5.56 58.88 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.39 -1.444 . . . . 0.0 114.462 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -98.52 -6.78 29.52 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 112.52 11.47 14.98 Favored Glycine 0 N--CA 1.477 1.392 0 CA-C-N 117.679 0.218 . . . . 0.0 113.224 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 4.7 t -109.92 61.37 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.401 ' H ' HD22 ' A' ' 494' ' ' LEU . 0.8 OUTLIER -63.52 -32.13 73.5 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.813 -167.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.24 139.59 46.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.649 0.738 . . . . 0.0 112.522 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.47 -46.72 81.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.564 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.14 -61.3 7.58 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.06 -67.58 0.13 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 168.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.19 -36.58 84.09 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -60.61 -33.42 72.73 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.811 1.187 . . . . 0.0 112.357 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -75.94 -25.38 55.87 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.087 -0.959 . . . . 0.0 112.71 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.76 -47.84 76.69 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.362 0.983 . . . . 0.0 109.022 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.07 -37.79 77.91 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.005 0.82 . . . . 0.0 113.068 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -62.43 -58.23 8.37 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.517 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.97 43.24 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.129 0.893 . . . . 0.0 112.391 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.572 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.1 m-30 -57.83 -47.1 83.64 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 129.754 3.222 . . . . 0.0 113.81 173.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.07 -29.67 75.96 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 119.73 -1.856 . . . . 0.0 111.887 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.2 mt -70.39 -71.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.567 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.4 m -41.39 -56.53 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.567 ' H ' HG23 ' A' ' 509' ' ' VAL . 39.9 mt -39.11 -45.88 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-N 119.423 1.011 . . . . 0.0 113.186 170.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.1 -55.22 37.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . 0.474 ' CG ' HG21 ' A' ' 448' ' ' THR . 8.1 m-85 -59.71 -27.43 66.44 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -70.99 -42.12 70.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.27 0.557 . . . . 0.0 110.945 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.24 -13.84 62.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.44 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -100.87 -21.13 15.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.482 -0.77 . . . . 0.0 112.032 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.99 22.64 2.35 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 113.435 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.36 -11.02 59.92 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.8 mt -73.68 153.32 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 122.325 1.059 . . . . 0.0 110.606 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.0 148.05 34.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.692 1.234 . . . . 0.0 110.942 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -64.35 -17.85 64.1 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.182 -1.372 . . . . 0.0 114.522 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 75.6 m -81.86 -12.49 58.45 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.74 -33.91 74.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.778 1.172 . . . . 0.0 111.771 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.254 1.325 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.185 -175.844 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.211 0 C4'-C3'-C2' 99.458 -3.242 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.835 0 C4'-C3'-C2' 99.091 -3.609 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.918 1 C4'-C3'-C2' 98.294 -4.406 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.896 0 C4'-C3'-C2' 99.118 -3.582 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.926 0 C4'-C3'-C2' 99.536 -3.164 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.95 0 C4'-C3'-C2' 99.239 -3.461 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.896 0 C4'-C3'-C2' 98.832 -3.868 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 111.885 3.685 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 111.098 -2.934 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.557 4 C5'-C4'-C3' 106.289 -6.141 . 0.542 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.398 0 O5'-C5'-C4' 112.723 1.802 . 0.071 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.924 0 O5'-C5'-C4' 115.64 3.886 . 0.458 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.221 0 C5'-C4'-C3' 111.077 -2.949 . 0.08 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 C3'-C2'-C1' 106.235 5.262 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 2 P-O3'-C3' 129.562 8.218 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.814 0 C4'-C3'-C2' 99.189 -3.511 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 2 O4'-C1'-N19 113.097 4.897 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.816 1 O4'-C1'-N19 112.891 4.691 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 2 O4'-C1'-N19 113.052 4.852 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.096 1 C4'-C3'-C2' 98.349 -4.351 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 2 O4'-C1'-N19 112.537 4.337 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 O4'-C1'-N19 112.062 3.862 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 O4'-C1'-N19 111.582 3.382 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -52.42 106.15 0.14 Allowed 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 124.326 3.351 . . . . 0.0 112.451 171.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -60.82 -51.45 69.26 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.502 -0.749 . . . . 0.0 111.075 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 50.6 m -148.66 155.47 41.09 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 127.252 2.221 . . . . 0.0 109.732 173.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 79.6 mt -137.52 -64.44 0.56 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.669 1.588 . . . . 0.0 110.755 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 36.6 p -71.29 60.28 0.29 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 129.059 2.944 . . . . 0.0 112.74 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -134.9 126.99 18.11 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 127.297 2.239 . . . . 0.0 108.756 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.3 -24.68 26.93 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.801 1.668 . . . . 0.0 113.131 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -73.23 -43.99 60.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.2 -51.38 64.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.175 171.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.05 -39.37 78.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 454' ' ' LYS . 1.9 tpmt? -59.48 -49.66 76.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.586 -0.696 . . . . 0.0 112.764 173.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.52 97.85 6.87 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 32.0 mm -43.26 -43.0 9.79 Favored Pre-proline 0 N--CA 1.483 1.202 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.2 -42.16 54.96 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.211 1.94 . . . . 0.0 114.158 173.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 17.7 ttp -81.41 -30.71 33.49 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 111.656 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -56.1 -45.15 79.54 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.836 0.744 . . . . 0.0 110.721 166.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.05 -26.9 59.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.98 1.712 . . . . 0.0 114.604 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -54.09 -46.87 72.16 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 168.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.1 m -63.28 -0.67 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 174.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.51 -3.8 8.82 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.963 1.705 . . . . 0.0 114.957 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 62.48 15.97 8.29 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -171.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.0 mt -98.41 1.82 47.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.247 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -62.27 8.42 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -79.52 -35.29 40.25 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.41 -0.806 . . . . 0.0 109.274 166.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -92.36 14.21 17.17 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.163 -172.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 37.2 m -53.09 -32.11 45.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.49 -32.19 37.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.29 0.95 . . . . 0.0 113.429 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.9 -26.81 66.17 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.835 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.94 -13.43 16.91 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 28.4 t -69.03 174.33 4.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.591 0.71 . . . . 0.0 111.599 168.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 69.75 5.56 51.96 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 121.597 -0.689 . . . . 0.0 113.375 -168.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.0 m -136.68 107.22 9.09 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -63.17 156.71 53.66 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.469 2.113 . . . . 0.0 110.469 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -57.31 -50.41 73.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.457 -170.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tp -36.08 -25.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -117.08 -30.4 5.68 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.321 0.648 . . . . 0.0 111.55 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.4 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 10.6 tp -51.26 -59.43 4.22 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.508 HD12 HG12 ' A' ' 510' ' ' ILE 0.315 31.0 pt -42.76 -36.48 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 173.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.416 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.6 m-30 -77.87 8.58 4.43 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 177.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 175.01 0.12 Allowed 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 123.415 1.579 . . . . 0.0 112.955 169.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -138.78 170.17 16.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 112.618 -2.083 . . . . 0.0 108.225 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.34 -40.05 81.13 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.14 -42.33 80.3 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.6 m -61.17 -42.6 98.86 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 110.71 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.34 -48.4 81.47 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.053 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.74 -30.21 71.26 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 122.996 2.634 . . . . 0.0 112.742 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.57 -17.76 55.65 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.46 -31.41 62.23 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.501 0.592 . . . . 0.0 111.09 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 125.1 14.5 3.32 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 123.84 0.713 . . . . 0.0 113.827 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 18.1 t -102.5 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 121.97 0.89 . . . . 0.0 108.714 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -25.91 57.66 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.1 138.29 56.99 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.276 0.56 . . . . 0.0 111.224 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.05 -47.86 84.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.607 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.07 -62.15 6.37 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.94 -66.08 0.13 Allowed 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.916 1.009 . . . . 0.0 113.372 167.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.17 -54.12 28.34 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -55.9 -36.24 67.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.15 -32.19 71.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.549 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.39 -49.12 70.5 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.66 0.663 . . . . 0.0 109.865 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.01 -38.51 70.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -65.19 -59.22 4.32 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.141 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.79 -49.24 39.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 124.142 0.901 . . . . 0.0 112.087 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.503 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.1 m-30 -56.08 -45.78 79.26 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 129.644 3.177 . . . . 0.0 113.729 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.74 -29.98 75.55 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 119.697 -1.877 . . . . 0.0 111.983 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -71.73 -68.56 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.6 m -41.15 -57.53 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 118.907 -1.117 . . . . 0.0 113.71 175.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.57 ' H ' HG23 ' A' ' 509' ' ' VAL . 34.9 mt -39.41 -43.99 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 CA-C-N 119.902 1.228 . . . . 0.0 113.527 170.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -55.56 33.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.99 -25.66 63.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 172.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -72.79 -41.52 64.89 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.423 0.63 . . . . 0.0 110.899 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -70.92 -19.0 62.63 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.002 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -91.51 -22.85 20.17 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.782 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.8 t70 74.45 21.04 2.4 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.621 1.201 . . . . 0.0 113.728 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.99 -8.59 57.66 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.6 mt -77.42 148.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 122.629 1.204 . . . . 0.0 110.303 -176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -81.36 142.62 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.56 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 35.1 mmt-85 -62.52 -13.66 33.15 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 114.568 -1.196 . . . . 0.0 114.159 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 23.8 m -77.92 -16.29 58.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.16 79.16 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.604 0.638 . . . . 0.0 111.743 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--O 1.254 1.302 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.491 -176.6 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.31 0 C4'-C3'-C2' 99.586 -3.114 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.937 0 O4'-C1'-N19 111.691 3.491 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.126 0 C5'-C4'-O4' 114.282 3.63 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.071 1 C5'-C4'-C3' 109.176 -4.216 . 0.486 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 110.909 2.709 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.866 0 C5'-C4'-C3' 110.144 -3.57 . 0.75 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.035 0 C4'-C3'-C2' 99.129 -3.571 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.333 0 O4'-C1'-N19 112.106 3.906 . 0.489 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C5'-C4'-C3' 111.107 -2.929 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -2.022 3 O4'-C1'-N19 113.36 5.16 . 0.203 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.403 -2.319 0 C3'-C2'-C1' 99.086 -2.682 . 0.11 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O5'-C5'-C4' 115.457 3.755 . 0.528 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 0 C5'-C4'-C3' 111.885 -2.41 . 0.088 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C4'-C3'-C2' 99.608 -3.092 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.485 0 P-O3'-C3' 123.177 2.898 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.968 0 C4'-C3'-C2' 99.22 -3.48 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.028 2 O4'-C1'-N19 112.902 4.702 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.906 1 O4'-C1'-N19 112.7 4.5 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 1 O4'-C1'-N19 112.204 4.004 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.923 0 C5'-C4'-C3' 109.941 -3.706 . 0.934 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 1 O4'-C1'-N19 112.643 4.443 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 1 C4'-C3'-C2' 98.59 -4.11 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C1'-N19 111.722 3.522 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -60.08 159.95 24.18 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.212 2.608 . . . . 0.0 113.823 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.43 -13.46 3.4 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 51.5 p -151.45 -75.86 0.14 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.331 1.052 . . . . 0.0 111.935 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 14.1 mt 63.0 -47.92 0.2 Allowed 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 130.273 3.429 . . . . 0.0 114.702 -173.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 79.4 p -66.44 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.616 3.166 . . . . 0.0 114.345 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -102.3 127.16 31.26 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 126.844 2.058 . . . . 0.0 109.562 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.48 -28.34 32.34 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 121.888 1.726 . . . . 0.0 112.585 -168.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -72.31 -39.86 67.92 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.811 0.444 . . . . 0.0 110.109 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.37 -49.6 47.5 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.34 -38.03 70.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.548 0.574 . . . . 0.0 112.548 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -65.03 -53.24 49.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.167 -0.958 . . . . 0.0 111.924 168.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -93.72 82.6 4.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.177 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.6 mm -45.46 -43.12 23.2 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -175.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.49 -40.58 78.21 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.498 2.132 . . . . 0.0 114.691 172.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 31.3 ttp -82.18 -26.61 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.594 -0.691 . . . . 0.0 111.677 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.607 -0.683 . . . . 0.0 110.173 166.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.39 -25.67 61.58 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.089 1.356 . . . . 0.0 114.265 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -55.96 -45.14 78.95 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 167.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 8.8 t -60.99 -10.62 6.1 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 173.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 71.2 mt -115.06 2.89 14.3 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.315 1.846 . . . . 0.0 114.026 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 56.89 21.79 6.48 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.66 12.03 19.66 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.551 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -61.59 10.79 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -83.88 -28.49 27.91 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -96.12 10.92 36.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.86 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 51.1 m -53.92 -34.72 60.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -81.93 -27.32 33.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.45 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.347 0.594 . . . . 0.0 110.439 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 58.9 mt -97.11 -9.14 28.57 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.354 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.1 t -68.37 170.17 9.36 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.556 0.693 . . . . 0.0 111.006 167.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 70.89 6.37 59.71 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.333 -0.854 . . . . 0.0 113.65 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 38.0 m -134.76 120.7 14.49 Favored Pre-proline 0 N--CA 1.471 0.593 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.78 158.12 58.01 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.388 2.059 . . . . 0.0 110.564 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.431 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 39.3 p-90 -62.14 -54.05 46.67 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.851 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.431 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.0 tp -34.3 -25.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 170.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -118.96 -28.9 5.43 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 483' ' ' LEU . 12.5 tp -49.27 -54.53 16.4 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.712 0.768 . . . . 0.0 110.232 175.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.575 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.32 37.0 pt -42.31 -35.26 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 173.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -84.59 9.5 13.53 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.0 OUTLIER -58.92 170.08 0.9 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.484 1.135 . . . . 0.0 111.956 169.5 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -132.73 164.86 25.84 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.46 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -57.82 -39.34 77.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.18 -43.97 69.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 38.1 m -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.016 -1.052 . . . . 0.0 110.447 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.2 mt -56.71 -53.63 55.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.945 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.92 -31.91 73.09 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 122.174 2.261 . . . . 0.0 113.709 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -77.76 -13.07 60.0 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.909 -1.119 . . . . 0.0 113.658 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -93.7 -15.87 24.82 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 121.85 12.91 5.24 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 114.222 0.449 . . . . 0.0 114.222 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 13.2 t -106.96 64.12 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 122.643 1.211 . . . . 0.0 108.888 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.37 -34.44 76.07 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.2 140.86 58.21 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.821 0.819 . . . . 0.0 110.861 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.8 -41.5 99.31 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.061 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.49 -62.66 5.37 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -31.84 -68.91 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 169.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -55.05 -45.62 75.27 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -62.2 -32.73 73.41 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.349 0.977 . . . . 0.0 112.473 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -25.58 60.51 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.584 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.91 -49.02 61.7 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 119.523 1.056 . . . . 0.0 109.137 168.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.91 -37.25 76.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.15 0.886 . . . . 0.0 113.142 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.49 -58.35 7.91 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.341 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.4 39.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.924 0.765 . . . . 0.0 112.001 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.575 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.9 m-30 -54.79 -52.07 63.78 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 129.924 3.29 . . . . 0.0 113.195 173.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.22 -29.16 72.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 119.865 -1.772 . . . . 0.0 112.021 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 22.7 mt -71.03 -71.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.519 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.5 m -41.86 -54.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 118.869 -1.133 . . . . 0.0 113.137 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.539 HG12 HD12 ' A' ' 481' ' ' ILE . 42.5 mt -38.05 -48.86 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 CA-C-N 119.069 0.85 . . . . 0.0 113.219 170.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -58.32 -55.47 34.6 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.283 0.989 . . . . 0.0 109.444 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -57.35 -29.16 63.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -31.13 58.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.199 0.6 . . . . 0.0 112.511 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.73 -23.0 29.48 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -81.03 -22.54 39.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 118.904 -0.569 . . . . 0.0 111.62 171.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 73.74 26.04 1.91 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.917 1.386 . . . . 0.0 112.53 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 mp -76.52 -5.96 49.81 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.465 172.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 9.5 mm -55.58 143.76 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.877 0.846 . . . . 0.0 110.528 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 521' ' ' SER . 9.1 m-20 -69.13 7.18 0.78 Allowed 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.277 18.3 mmt85 51.02 -0.39 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 119.123 3.008 . . . . 0.0 119.123 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . 0.436 ' H ' ' C ' ' A' ' 519' ' ' ASP . 44.0 m -98.97 -11.62 21.39 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.905 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.28 62.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.253 1.289 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.453 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.13 0 C4'-C3'-C2' 99.499 -3.201 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.872 0 C4'-C3'-C2' 99.366 -3.334 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.884 1 C4'-C3'-C2' 98.466 -4.234 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.946 0 C4'-C3'-C2' 99.306 -3.394 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.882 0 C4'-C3'-C2' 99.064 -3.636 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.891 0 O4'-C1'-N19 112.192 3.992 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.851 0 O4'-C1'-N19 111.479 3.279 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.904 3.704 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C5'-C4'-C3' 110.793 -3.138 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.409 -1.958 2 C5'-C4'-C3' 108.488 -4.675 . 0.26 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.255 0 C3'-C2'-C1' 99.447 -2.281 . 0.095 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 1 O5'-C5'-C4' 116.16 4.257 . 0.451 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . 0.487 " H2'" " H3'" ' B' ' 537' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O5'-C5'-C4' 114.693 3.209 . 0.014 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . 0.487 " H3'" " H2'" ' B' ' 536' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.637 1 C3'-C2'-C1' 96.044 -6.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 98.985 -3.715 . 0.227 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 1.664 1 O4'-C1'-N19 112.399 4.199 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 2 O4'-C1'-N19 113.098 4.898 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 2 C4'-C3'-C2' 98.131 -4.569 . 0.732 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.948 2 O4'-C1'-N19 113.187 4.987 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 1 C4'-C3'-C2' 98.044 -4.656 . 0.646 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 2 O4'-C1'-N19 112.653 4.453 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.067 1 C4'-C3'-C2' 98.675 -4.025 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 111.6 3.4 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -52.67 -24.32 22.67 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 124.374 3.383 . . . . 0.0 116.605 174.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? 57.67 -85.96 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 128.548 2.739 . . . . 0.0 112.455 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 59.6 m -138.16 86.08 2.14 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.16 1.784 . . . . 0.0 109.484 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.56 -28.24 69.01 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.357 0.663 . . . . 0.0 111.962 172.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.5 p -65.99 16.42 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 131.304 3.842 . . . . 0.0 114.753 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.18 127.59 41.93 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.742 2.017 . . . . 0.0 109.696 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -65.25 -32.91 50.64 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 121.799 1.666 . . . . 0.0 113.567 -169.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -71.95 -40.28 68.79 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.153 0.283 . . . . 0.0 110.681 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -48.82 68.09 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 169.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 58.2 mt -58.04 -45.67 86.59 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -70.76 -20.97 62.57 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.494 -1.379 . . . . 0.0 114.654 172.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -120.84 81.97 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.677 0.672 . . . . 0.0 111.855 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.8 mm -47.28 -41.18 30.5 Favored Pre-proline 0 N--CA 1.486 1.367 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -174.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.0 -42.34 59.05 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.246 1.964 . . . . 0.0 114.306 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.4 ttp -82.53 -26.57 32.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.377 0.535 . . . . 0.0 111.593 -176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -58.52 -46.83 85.95 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.321 0.581 . . . . 0.0 110.637 166.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.49 -27.09 60.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.772 1.629 . . . . 0.0 114.002 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -53.53 -47.11 70.27 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 168.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 25.0 m -62.02 -5.08 1.93 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 48.5 mt -117.99 -3.04 11.17 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.089 1.756 . . . . 0.0 114.171 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 59.85 21.03 9.93 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 59.4 mt -104.22 8.64 36.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.063 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -63.24 18.35 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -81.61 -25.04 36.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 168.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.34 14.08 22.75 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.95 1.406 . . . . 0.0 111.058 -172.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 18.5 p -56.6 -38.8 72.54 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -74.35 -30.0 61.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 119.065 0.848 . . . . 0.0 113.208 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.02 -19.08 61.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.258 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.1 mt -111.87 -20.23 12.11 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.08 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.0 t -61.83 -19.52 62.65 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.51 -3.61 48.72 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 114.775 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 51.9 m -125.96 129.57 24.24 Favored Pre-proline 0 N--CA 1.476 0.843 0 CA-C-N 117.5 0.65 . . . . 0.0 109.502 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.78 158.03 54.01 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 111.222 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.411 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -60.47 -54.86 40.51 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.476 -172.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.53 -26.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 172.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -117.17 -31.8 5.21 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.218 0.463 . . . . 0.0 111.929 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.6 tp -45.51 -57.23 4.28 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.495 0.664 . . . . 0.0 110.822 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.569 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.31 41.3 pt -42.26 -33.98 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 175.287 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -84.64 7.59 19.77 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.59 171.01 0.34 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.499 1.142 . . . . 0.0 113.348 171.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -131.53 166.26 21.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.167 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.88 -42.32 84.37 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.47 -45.33 76.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.7 m -62.02 -38.55 89.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.661 -0.649 . . . . 0.0 111.215 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.94 -48.19 82.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.932 0.333 . . . . 0.0 110.913 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.54 -42.27 74.37 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.88 -0.512 . . . . 0.0 112.084 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -78.0 -14.89 59.36 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.093 -1.004 . . . . 0.0 113.684 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -92.74 -12.79 30.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.49 10.52 8.58 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.288 0.475 . . . . 0.0 114.288 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 8.2 t -107.13 62.64 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.24 -28.61 70.15 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -166.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -75.63 145.42 41.09 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.9 0.857 . . . . 0.0 113.098 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.94 -42.46 89.98 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.448 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -60.91 -63.49 4.9 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.499 -0.612 . . . . 0.0 111.729 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.48 -66.9 0.12 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -55.9 -44.12 77.93 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -173.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.84 -35.51 76.72 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.762 1.619 . . . . 0.0 112.704 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -68.32 -31.45 70.87 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.888 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.3 -49.19 74.98 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.923 0.783 . . . . 0.0 110.436 169.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.43 -36.71 74.05 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -61.48 -61.04 2.81 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.28 170.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.97 -48.89 42.84 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 122.111 0.958 . . . . 0.0 112.236 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.569 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.9 m-30 -54.81 -46.06 74.47 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 129.005 2.922 . . . . 0.0 113.409 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.23 77.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 119.824 -1.798 . . . . 0.0 111.847 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.16 -70.17 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.544 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.77 -56.26 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 C-N-CA 118.772 -1.171 . . . . 0.0 113.914 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.55 HG12 HD12 ' A' ' 481' ' ' ILE . 37.9 mt -38.87 -44.33 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 CA-C-N 119.459 1.027 . . . . 0.0 113.33 170.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.23 -53.01 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.002 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.13 -28.97 69.49 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -70.12 -40.11 75.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.492 0.587 . . . . 0.0 111.5 174.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.76 -13.57 61.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.714 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -98.08 -25.63 14.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.762 173.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 18.9 t70 75.2 25.68 1.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.599 1.187 . . . . 0.0 113.38 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.3 mp -81.83 -7.62 59.62 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.79 156.27 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 122.166 0.984 . . . . 0.0 110.722 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -84.3 143.96 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.379 1.085 . . . . 0.0 110.719 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -62.06 -17.83 58.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.508 -1.223 . . . . 0.0 113.966 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -77.19 -13.75 59.89 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.2 71.6 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.148 0.886 . . . . 0.0 111.878 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.252 1.199 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.178 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 99.135 -3.565 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 O4'-C1'-N19 111.247 3.047 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.137 0 C4'-C3'-C2' 99.549 -3.151 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.928 0 C5'-C4'-C3' 109.571 -3.953 . 0.622 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.004 0 C4'-C3'-C2' 99.721 -2.979 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.903 0 C4'-C3'-C2' 99.152 -3.548 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.991 0 C4'-C3'-C2' 98.731 -3.969 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 O4'-C1'-N19 111.969 3.769 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C5'-C4'-C3' 111.03 -2.98 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.405 -2.207 3 C5'-C4'-C3' 106.583 -5.945 . 0.469 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.273 0 O3'-P-O5' 100.009 -2.101 . 0.09 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 O5'-C5'-C4' 114.877 3.341 . 0.517 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.863 0 C4'-C3'-C2' 98.813 -3.887 . 0.702 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 2 C3'-C2'-C1' 106.626 5.695 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 2 P-O3'-C3' 129.42 8.1 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.898 0 O4'-C1'-N19 111.775 3.575 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.97 2 O4'-C1'-N19 113.101 4.901 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.984 2 O4'-C1'-N19 113.122 4.922 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 1 O4'-C1'-N19 112.868 4.668 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.858 0 C5'-C4'-C3' 109.902 -3.732 . 0.964 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.913 1 O4'-C1'-N19 112.868 4.668 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.982 0 O4'-C1'-N19 112.085 3.885 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 111.57 3.37 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.68 150.12 12.77 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 124.04 3.16 . . . . 0.0 114.267 173.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -151.57 -38.17 0.12 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.272 1.029 . . . . 0.0 113.757 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 60.2 p -64.18 -1.59 1.67 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.869 2.068 . . . . 0.0 115.257 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.56 -34.1 77.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.113 1.765 . . . . 0.0 112.531 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 81.3 p -66.19 32.38 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.929 2.892 . . . . 0.0 114.244 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -112.9 128.28 25.8 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 127.044 2.137 . . . . 0.0 109.86 -173.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.77 -25.17 24.23 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.8 1.667 . . . . 0.0 113.174 -169.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -74.12 -41.2 61.98 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.29 -50.24 54.95 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.458 0.473 . . . . 0.0 110.478 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.05 -44.15 82.7 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.278 0.49 . . . . 0.0 112.142 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -68.5 -26.59 65.54 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -119.52 83.59 2.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.415 0.626 . . . . 0.0 111.74 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 23.8 mm -48.06 -41.52 42.52 Favored Pre-proline 0 N--CA 1.488 1.456 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.61 -38.3 90.77 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.483 2.122 . . . . 0.0 114.519 172.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 28.0 ttp -80.34 -31.68 37.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.478 0.311 . . . . 0.0 111.805 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.243 0.544 . . . . 0.0 111.32 168.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.17 -23.5 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.186 1.394 . . . . 0.0 113.492 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -51.44 -49.82 60.94 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 169.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -63.78 -14.81 55.93 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.85 -3.3 32.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.35 1.46 . . . . 0.0 113.179 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 63.51 19.43 11.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.87 16.68 18.34 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.88 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -63.75 19.78 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -80.7 -35.57 33.39 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 166.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -95.21 12.19 29.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.563 -172.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 24.2 p -54.75 -37.36 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.14 -24.92 43.0 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.03 0.832 . . . . 0.0 112.377 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.41 -21.23 56.26 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 73.7 mt -108.35 -14.96 14.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.034 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 19.4 t -64.47 -16.23 62.11 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -73.39 2.66 36.43 Favored Glycine 0 CA--C 1.541 1.664 0 N-CA-C 114.892 0.717 . . . . 0.0 114.892 170.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 49.7 m -136.87 115.18 10.25 Favored Pre-proline 0 N--CA 1.473 0.704 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -62.57 155.01 61.03 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.127 1.884 . . . . 0.0 110.718 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -55.38 -50.38 69.87 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.051 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.3 tp -35.38 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -117.22 -28.97 6.03 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.827 0.705 . . . . 0.0 111.743 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.43 -57.14 8.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.67 0.748 . . . . 0.0 109.764 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.579 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 33.2 pt -42.24 -34.93 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 172.338 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.434 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.2 m-30 -78.83 1.92 21.72 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.111 -1.618 . . . . 0.0 114.993 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.94 169.84 1.78 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 122.686 1.231 . . . . 0.0 113.314 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.03 172.22 13.08 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.029 175.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.91 -39.49 85.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.61 -44.63 64.08 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 96.8 m -62.28 -38.91 91.16 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.979 -1.076 . . . . 0.0 110.344 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 53.3 mt -56.65 -54.09 50.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.34 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.08 -28.36 70.03 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 121.832 2.106 . . . . 0.0 114.302 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.38 -14.55 58.24 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.985 -1.072 . . . . 0.0 113.531 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -92.65 -10.98 35.37 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.63 11.82 10.06 Favored Glycine 0 N--CA 1.477 1.388 0 CA-C-O 119.922 -0.377 . . . . 0.0 113.946 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.51 64.6 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 122.659 1.219 . . . . 0.0 108.294 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -35.94 81.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.534 -1.212 . . . . 0.0 114.255 -168.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.98 145.1 54.84 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.135 0.969 . . . . 0.0 112.031 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.54 -43.06 99.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.002 169.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.8 -64.63 4.03 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.29 -69.86 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 167.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -55.52 -45.66 77.09 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -59.83 -37.47 79.29 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.236 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.73 -29.86 67.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.082 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.99 -48.5 71.0 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.279 0.945 . . . . 0.0 110.16 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 67.5 mt -58.11 -38.19 75.99 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.27 0.941 . . . . 0.0 112.882 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -61.85 -59.11 5.63 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.033 170.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.57 -51.05 29.67 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 124.158 0.911 . . . . 0.0 112.674 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.579 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 18.0 m-30 -54.58 -47.56 73.14 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 129.444 3.098 . . . . 0.0 113.682 173.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.92 -29.89 76.54 Favored Glycine 0 CA--C 1.526 0.753 0 O-C-N 119.985 -1.697 . . . . 0.0 111.816 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 21.2 mt -69.99 -70.92 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -42.44 -55.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.419 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.546 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.9 mt -39.42 -45.26 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-N 119.946 1.248 . . . . 0.0 113.039 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.33 -52.7 64.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.936 -176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.64 -31.75 70.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -66.51 -42.09 87.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.561 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.68 -10.04 59.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -102.19 -22.47 14.18 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.643 -0.694 . . . . 0.0 112.415 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.9 t0 77.42 23.16 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.708 1.255 . . . . 0.0 112.9 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.3 mp -77.07 -6.43 52.72 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.41 139.54 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.696 0.76 . . . . 0.0 110.496 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -73.0 145.98 46.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.68 1.228 . . . . 0.0 109.898 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -64.16 -10.86 25.49 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.855 -1.52 . . . . 0.0 113.613 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 31.9 m -89.42 -12.92 38.87 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.48 72.63 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.582 1.083 . . . . 0.0 111.808 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.252 1.213 0 CA-C-N 115.008 -0.996 . . . . 0.0 113.185 -179.008 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.122 0 C4'-C3'-C2' 99.484 -3.216 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.943 0 O4'-C1'-N19 111.372 3.172 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.037 0 C5'-C4'-O4' 113.885 3.346 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.939 1 C5'-C4'-C3' 109.459 -4.028 . 0.629 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 C5'-C4'-O4' 113.171 2.836 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.892 1 C5'-C4'-C3' 109.318 -4.121 . 0.756 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.79 1 C4'-C3'-C2' 98.681 -4.019 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 1 O4'-C1'-N19 112.227 4.027 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.15 1 C4'-C3'-C2' 98.552 -4.148 . 0.869 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.404 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.435 2 O5'-C5'-C4' 117.369 5.12 . 0.712 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.404 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.402 -2.371 0 P-O3'-C3' 122.549 2.374 . 0.131 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.755 0 O5'-C5'-C4' 115.536 3.812 . 0.541 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 0 C5'-C4'-C3' 111.091 -2.94 . 0.403 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 3 C3'-C2'-C1' 107.011 6.124 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 2 P-O3'-C3' 128.539 7.366 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.766 0 C4'-C3'-C2' 99.362 -3.338 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 2 O4'-C1'-N19 113.366 5.166 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 2 C4'-C3'-C2' 98.019 -4.681 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.851 1 O4'-C1'-N19 113.762 5.562 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 1 O4'-C1'-N19 112.264 4.064 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.972 2 O4'-C1'-N19 112.543 4.343 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 1 C4'-C3'-C2' 98.693 -4.007 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 111.92 3.72 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -55.67 113.22 1.32 Allowed 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.176 3.251 . . . . 0.0 113.915 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -128.05 -3.98 5.69 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.962 1.705 . . . . 0.0 114.617 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 44.4 m -124.13 14.44 9.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.105 1.762 . . . . 0.0 113.251 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.97 -41.37 97.57 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.535 -1.353 . . . . 0.0 112.247 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 52.0 p -68.43 17.03 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 130.151 3.38 . . . . 0.0 115.522 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -98.61 131.69 25.41 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 126.582 1.953 . . . . 0.0 110.188 -170.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.57 -26.17 28.72 Favored 'Trans proline' 0 C--N 1.347 0.471 0 CA-C-N 121.455 1.555 . . . . 0.0 113.075 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.03 -41.38 61.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.7 mp -69.19 -51.71 35.22 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.5 0.5 . . . . 0.0 110.773 171.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.16 -43.75 74.53 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -67.34 -36.05 80.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 172.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -108.19 85.82 2.18 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 37.2 mm -47.92 -43.35 53.58 Favored Pre-proline 0 N--CA 1.488 1.429 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.63 -43.11 52.8 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.41 2.073 . . . . 0.0 113.933 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.3 ttp -80.66 -27.99 36.96 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.381 0.537 . . . . 0.0 111.704 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -57.86 -48.83 78.65 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.733 -0.604 . . . . 0.0 110.381 166.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.26 -28.33 63.07 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.036 1.334 . . . . 0.0 113.771 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -52.81 -42.88 65.51 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 167.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.6 t -57.62 -25.03 59.52 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 88.4 mt -95.72 -6.49 39.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.422 1.489 . . . . 0.0 113.961 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.256 87.8 mmt-85 60.26 21.17 10.59 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -169.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.9 mt -102.76 13.14 35.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.137 174.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -58.13 8.08 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -74.09 -34.91 64.13 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.903 0.859 . . . . 0.0 109.087 167.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -95.24 13.21 26.27 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.153 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.2 p -58.99 -31.53 68.87 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -80.83 -27.11 36.61 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.303 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.0 68.18 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.599 0.714 . . . . 0.0 110.225 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 71.2 mt -95.75 -12.0 26.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.27 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 27.1 t -66.31 166.62 11.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.588 0.709 . . . . 0.0 111.018 167.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 73.85 2.19 60.73 Favored Glycine 0 CA--C 1.539 1.582 0 O-C-N 121.293 -0.879 . . . . 0.0 113.897 -169.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 34.1 m -130.69 120.98 18.89 Favored Pre-proline 0 N--CA 1.475 0.792 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.56 159.88 51.33 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.615 2.21 . . . . 0.0 110.865 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 40.4 p-90 -61.68 -54.91 36.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.329 -172.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 2.8 tp -33.88 -25.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -30.85 6.03 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 483' ' ' LEU . 9.8 tp -49.28 -54.66 15.8 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 121.42 0.628 . . . . 0.0 110.111 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.55 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.317 39.2 pt -43.3 -35.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 173.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.51 10.25 11.41 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 480' ' ' LEU . 0.8 OUTLIER -59.3 170.73 0.89 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.318 1.056 . . . . 0.0 112.605 170.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -131.67 167.47 19.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.709 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -58.56 -41.9 86.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.86 -41.33 71.55 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 30.2 m -61.13 -42.5 98.65 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.056 -1.027 . . . . 0.0 110.625 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.76 -54.93 38.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.711 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.2 -31.11 71.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.592 1.997 . . . . 0.0 114.235 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -77.67 -19.69 54.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -85.59 -18.31 33.68 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 124.8 10.89 4.63 Favored Glycine 0 N--CA 1.472 1.1 0 N-CA-C 114.33 0.492 . . . . 0.0 114.33 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.22 67.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 122.415 1.103 . . . . 0.0 109.052 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -30.51 63.85 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -169.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.05 137.83 49.31 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.323 0.965 . . . . 0.0 111.887 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.93 -42.75 98.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.689 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.47 -67.14 2.37 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.54 -66.04 0.16 Allowed 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.903 1.002 . . . . 0.0 113.306 166.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -47.05 -56.81 5.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -60.71 -35.67 76.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.234 0.925 . . . . 0.0 112.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -69.73 -29.65 67.09 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 118.167 -0.92 . . . . 0.0 112.223 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.81 -49.13 74.07 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 119.509 1.05 . . . . 0.0 109.735 168.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.5 mt -58.63 -38.22 77.59 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.084 0.856 . . . . 0.0 113.02 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -60.93 -59.54 5.22 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.844 169.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.68 -51.23 29.56 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.019 0.824 . . . . 0.0 112.412 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.55 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 16.3 m-30 -53.17 -48.66 67.81 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 129.693 3.197 . . . . 0.0 113.338 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.15 -30.62 78.3 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 119.986 -1.696 . . . . 0.0 111.913 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 14.9 mt -69.28 -71.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.525 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.3 m -42.08 -55.94 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 119.063 -1.055 . . . . 0.0 113.639 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.547 HG12 HD12 ' A' ' 481' ' ' ILE . 42.0 mt -38.97 -46.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 CA-C-N 119.763 1.165 . . . . 0.0 113.312 170.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.55 -54.97 40.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.5 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -58.75 -27.5 65.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.48 -43.49 69.65 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.549 0.69 . . . . 0.0 110.947 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.92 -13.15 61.57 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.938 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -99.12 -22.84 15.48 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.854 -0.593 . . . . 0.0 112.387 171.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 21.5 t0 68.71 30.82 4.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.06 -8.22 59.72 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 173.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.01 155.64 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 122.248 1.023 . . . . 0.0 109.592 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -81.06 128.43 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.616 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -61.13 -11.05 7.47 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 38.9 m -70.89 -14.85 62.54 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.31 -25.63 66.12 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--O 1.253 1.255 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.74 -169.879 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 C4'-C3'-C2' 99.321 -3.379 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.884 0 C4'-C3'-C2' 99.423 -3.277 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.09 0 C5'-C4'-O4' 113.999 3.428 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.919 1 C5'-C4'-C3' 108.597 -4.602 . 0.697 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C5'-C4'-O4' 113.332 2.952 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.001 0 C5'-C4'-C3' 109.678 -3.882 . 0.902 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.916 0 C4'-C3'-C2' 99.224 -3.476 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 1 O4'-C1'-N19 112.222 4.022 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 1 C4'-C3'-C2' 97.877 -4.823 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.422 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.549 3.002 2 O4'-C1'-N19 113.78 5.58 . 0.544 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.422 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.624 0 O5'-C5'-C4' 115.401 3.715 . 0.112 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.886 1 O5'-C5'-C4' 116.018 4.156 . 0.6 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.119 0 C4'-C3'-C2' 99.313 -3.387 . 0.133 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 2 C4'-C3'-C2' 97.981 -4.719 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.668 1 P-O3'-C3' 126.391 5.576 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.88 0 O4'-C1'-N19 111.61 3.41 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 2 O4'-C1'-N19 113.229 5.029 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.916 2 O4'-C1'-N19 112.787 4.587 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 2 O4'-C1'-N19 113.319 5.119 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 C4'-C3'-C2' 98.384 -4.316 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.952 2 O4'-C1'-N19 112.602 4.402 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.987 1 C4'-C3'-C2' 98.659 -4.041 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.661 3.461 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 63.1 ttp . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.58 108.24 0.23 Allowed 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 124.15 3.233 . . . . 0.0 113.403 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -63.68 -54.71 31.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.485 1.114 . . . . 0.0 111.913 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 59.1 m -146.95 153.8 40.51 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.435 2.294 . . . . 0.0 109.552 170.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 46.3 mt -139.01 -43.15 0.47 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.308 1.443 . . . . 0.0 111.47 178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 48.0 p -66.02 17.04 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 130.163 3.385 . . . . 0.0 114.148 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.8 125.54 52.93 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 126.685 1.994 . . . . 0.0 110.02 -169.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 17.9 Cg_endo -61.21 -31.64 89.96 Favored 'Trans proline' 0 CA--C 1.516 -0.388 0 C-N-CA 122.403 2.069 . . . . 0.0 114.679 -171.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -81.37 -29.78 33.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.342 -173.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -47.17 26.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.451 0.3 . . . . 0.0 110.518 167.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.81 -41.12 77.23 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.812 -0.555 . . . . 0.0 111.841 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.64 -49.67 67.8 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.098 -1.001 . . . . 0.0 112.712 169.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -100.78 84.67 2.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.269 0.557 . . . . 0.0 111.498 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.8 mm -47.59 -42.48 43.93 Favored Pre-proline 0 N--CA 1.483 1.22 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 469' ' ' SER . 76.2 Cg_exo -49.78 -39.81 47.98 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.287 2.658 . . . . 0.0 115.612 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 23.6 ttp -83.16 -25.97 31.35 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -62.2 -48.32 80.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 169.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -28.22 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -53.51 -41.29 66.16 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 55.8 m -69.76 -4.18 18.74 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.26 -7.85 12.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.989 1.715 . . . . 0.0 114.48 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 64.67 19.87 11.96 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 84.8 mt -111.93 18.6 18.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.558 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -66.78 20.84 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -93.1 -29.78 15.6 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -106.28 3.7 27.94 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.492 -175.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 457' ' ' PRO . 44.1 p -56.86 -27.18 60.0 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.95 -32.07 45.31 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.14 0.495 . . . . 0.0 111.989 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -71.19 -17.51 62.52 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.312 173.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.1 mt -106.98 -15.8 14.61 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.025 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.0 t -64.22 -22.57 66.99 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -67.81 0.69 9.6 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.5 m -133.97 128.02 19.48 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 117.896 0.848 . . . . 0.0 108.978 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.99 160.75 48.37 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.14 1.893 . . . . 0.0 111.127 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.405 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -60.86 -55.27 35.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.894 -170.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.0 tp -35.11 -27.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -110.94 -33.41 6.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.883 0.473 . . . . 0.0 112.253 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.5 tp -49.58 -56.64 9.23 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.201 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.56 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.313 38.2 pt -41.96 -37.38 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 172.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.437 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.4 m-30 -76.7 -1.16 26.47 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.56 170.07 1.15 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.292 1.044 . . . . 0.0 113.407 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -129.4 167.94 17.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.765 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.93 -39.64 90.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.17 -48.05 80.05 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 122.418 -0.176 . . . . 0.0 111.016 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 9.1 m -62.11 -36.01 80.47 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.19 74.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.331 0.969 . . . . 0.0 110.9 171.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -55.47 -38.42 69.06 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 174.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.76 -10.29 58.22 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -98.09 -10.51 24.14 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.79 12.44 9.39 Favored Glycine 0 N--CA 1.477 1.376 0 O-C-N 123.264 0.352 . . . . 0.0 113.744 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.36 61.38 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -31.96 73.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.276 -1.329 . . . . 0.0 114.544 -167.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.04 145.89 47.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.313 0.577 . . . . 0.0 112.48 -175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.2 tp -61.76 -45.8 92.36 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.272 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.08 -65.81 3.26 Favored Glycine 0 C--N 1.338 0.69 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.77 -68.0 0.12 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -59.12 -44.9 92.03 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -60.45 -34.96 74.75 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.232 0.924 . . . . 0.0 112.826 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -70.47 -30.53 67.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.784 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.07 -49.35 74.86 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.113 0.87 . . . . 0.0 110.204 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.67 -37.3 75.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.022 0.828 . . . . 0.0 113.171 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -62.11 -58.73 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.387 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.01 -48.48 43.6 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 124.268 0.98 . . . . 0.0 112.28 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.56 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.3 m-30 -57.34 -47.51 81.38 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 129.813 3.245 . . . . 0.0 113.857 174.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.31 74.8 Favored Glycine 0 CA--C 1.526 0.741 0 O-C-N 119.751 -1.843 . . . . 0.0 111.632 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.4 mt -69.79 -71.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.541 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.6 m -41.47 -56.57 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.813 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.541 ' H ' HG23 ' A' ' 509' ' ' VAL . 37.2 mt -39.57 -46.24 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 120.033 1.288 . . . . 0.0 113.044 170.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.75 -54.46 46.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.5 -27.68 66.36 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 478' ' ' ILE . 56.6 tttm -70.27 -43.89 69.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.469 0.652 . . . . 0.0 110.853 173.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.58 -12.0 61.29 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.301 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -103.45 -21.39 13.8 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.634 173.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.78 24.7 2.09 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.389 1.055 . . . . 0.0 113.599 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.94 -12.47 60.03 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.4 152.83 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.441 1.115 . . . . 0.0 110.344 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.31 142.63 39.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.239 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.46 -19.19 61.73 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.277 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 73.5 m -81.37 -12.08 59.1 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -68.96 -34.51 75.46 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.182 0.901 . . . . 0.0 111.754 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.253 1.285 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.67 -176.243 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.196 0 C4'-C3'-C2' 99.513 -3.187 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.868 0 O4'-C1'-N19 111.671 3.471 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.969 1 O4'-C1'-N19 112.273 4.073 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.06 0 C5'-C4'-O4' 114.427 3.734 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C5'-C4'-O4' 113.73 3.236 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.882 1 C5'-C4'-C3' 109.215 -4.19 . 0.806 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.801 0 C4'-C3'-C2' 99.221 -3.479 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 112.042 3.842 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C4'-C3'-C2' 98.023 -4.677 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.438 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.539 2 O5'-C5'-C4' 116.996 4.854 . 0.718 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.438 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.405 -2.191 0 P-O3'-C3' 122.557 2.381 . 0.134 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 0 O5'-C5'-C4' 115.061 3.472 . 0.647 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.02 0 C5'-C4'-C3' 111.443 -2.705 . 0.413 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 2 C4'-C3'-C2' 97.999 -4.701 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 P-O3'-C3' 127.23 6.275 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.777 0 O4'-C1'-N19 111.535 3.335 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 1 O4'-C1'-N19 112.626 4.426 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.887 2 O4'-C1'-N19 113.13 4.93 . 0.779 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 O4'-C1'-N19 112.285 4.085 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.882 0 C5'-C4'-C3' 109.515 -3.99 . 0.925 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 2 C4'-C3'-C2' 98.435 -4.265 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 1 C4'-C3'-C2' 98.53 -4.17 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 O4'-C1'-N19 111.743 3.543 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 118.759 -0.638 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.81 171.52 12.08 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.909 2.406 . . . . 0.0 112.92 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -67.49 -171.71 0.2 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.778 1.231 . . . . 0.0 108.561 166.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 16.2 m -59.41 -17.5 31.13 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.037 -1.664 . . . . 0.0 113.734 169.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 38.7 mt 62.37 -27.48 0.06 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 130.459 3.503 . . . . 0.0 115.169 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . 0.471 HG21 ' CG ' ' A' ' 512' ' ' TYR . 70.6 p -70.89 16.86 0.08 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 131.202 3.801 . . . . 0.0 114.08 172.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -93.25 128.34 43.22 Favored Pre-proline 0 CA--C 1.536 0.419 0 C-N-CA 127.244 2.218 . . . . 0.0 109.591 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.99 -24.95 23.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 121.663 1.575 . . . . 0.0 113.334 -169.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -73.52 -39.53 64.72 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -50.55 22.48 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.074 171.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.28 -38.57 74.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -64.5 -54.07 38.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.163 -0.961 . . . . 0.0 111.868 168.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -95.8 83.66 3.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.223 0.535 . . . . 0.0 112.003 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.4 mm -47.71 -41.8 40.4 Favored Pre-proline 0 N--CA 1.487 1.392 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -174.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.89 -42.97 55.02 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.531 2.154 . . . . 0.0 114.026 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 33.5 ttp -79.96 -26.07 40.17 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.684 -0.635 . . . . 0.0 111.955 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.63 -47.98 83.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.309 0.576 . . . . 0.0 110.584 166.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.03 -28.01 62.09 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.264 1.426 . . . . 0.0 113.897 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -52.8 -46.45 67.67 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 48.7 m -61.34 -21.27 63.86 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.1 mt -92.68 -8.6 43.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.242 1.417 . . . . 0.0 113.24 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.262 88.4 mmt-85 62.71 18.12 10.35 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 80.2 mt -101.25 15.08 29.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.265 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -62.28 16.79 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -77.31 -24.66 50.84 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.463 1.125 . . . . 0.0 109.761 168.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.85 11.68 27.89 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.089 -1.869 . . . . 0.0 112.989 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 66.5 m -52.29 -40.69 62.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.38 -26.49 41.98 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.91 58.54 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.158 0.504 . . . . 0.0 111.325 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.37 -14.5 14.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.217 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 46.6 t -62.64 -20.91 65.27 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.11 2.13 20.91 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 52.0 m -136.11 116.87 11.43 Favored Pre-proline 0 N--CA 1.474 0.731 0 CA-C-N 118.037 0.919 . . . . 0.0 108.786 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -61.83 153.66 66.43 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.059 1.84 . . . . 0.0 110.67 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -54.33 -50.27 67.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.081 -173.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.6 tp -35.67 -27.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -117.05 -29.75 5.87 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.694 0.621 . . . . 0.0 111.335 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.44 -56.99 7.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.805 0.691 . . . . 0.0 110.214 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.58 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.319 38.4 pt -42.94 -33.69 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 173.373 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -83.62 6.48 20.63 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.84 168.96 2.77 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 122.324 1.059 . . . . 0.0 112.604 172.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -132.87 169.35 16.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.22 -51.73 61.21 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.283 1.039 . . . . 0.0 112.585 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.87 -43.72 92.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.04 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.8 m -64.42 -38.67 91.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.46 -48.17 82.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.428 0.558 . . . . 0.0 110.855 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.03 -41.37 71.26 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.995 -0.441 . . . . 0.0 111.991 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.7 -15.62 58.25 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -91.21 -10.37 41.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 113.18 13.15 11.11 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.631 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.4 t -104.4 65.47 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -29.35 64.17 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -167.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.51 139.86 51.7 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.938 0.79 . . . . 0.0 111.782 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.94 -48.33 81.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.368 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.25 -65.36 3.6 Favored Glycine 0 C--N 1.339 0.745 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.91 -70.1 0.08 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -47.02 -52.81 13.95 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -57.08 -39.6 75.31 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.812 0.733 . . . . 0.0 111.847 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -73.44 -24.54 60.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 117.849 -1.072 . . . . 0.0 113.124 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.14 -48.32 76.5 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.749 1.159 . . . . 0.0 108.843 168.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 64.4 mt -57.37 -38.75 74.71 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -61.38 -60.67 3.37 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.034 170.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.06 -47.36 44.97 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.098 0.874 . . . . 0.0 112.812 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.58 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -57.96 -49.43 76.82 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 129.333 3.053 . . . . 0.0 113.604 174.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.02 -29.34 74.6 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 120.247 -1.533 . . . . 0.0 111.436 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.88 -72.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.535 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.3 m -41.85 -56.27 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 117.802 -1.094 . . . . 0.0 113.923 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.558 HG12 HD12 ' A' ' 481' ' ' ILE . 49.5 mt -39.17 -45.82 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 119.926 1.239 . . . . 0.0 112.88 170.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.23 -50.29 74.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.983 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . 0.471 ' CG ' HG21 ' A' ' 448' ' ' THR . 7.0 m-85 -64.47 -30.23 71.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 171.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -68.33 -39.64 81.86 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.833 0.742 . . . . 0.0 110.634 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.57 -5.95 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.744 -1.117 . . . . 0.0 112.699 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.07 -24.22 10.02 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.616 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 15.9 t70 83.46 17.21 0.26 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 124.938 1.399 . . . . 0.0 112.632 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.5 mp -76.72 -5.23 47.16 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.634 -0.666 . . . . 0.0 112.546 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.1 mm -64.36 144.26 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 0.0 110.015 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.22 145.03 44.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 122.754 1.264 . . . . 0.0 109.892 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -66.84 -11.19 54.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.274 -1.33 . . . . 0.0 114.396 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.6 m -86.18 -14.2 44.72 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.51 88.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.712 0.687 . . . . 0.0 111.463 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.172 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 0 C4'-C3'-C2' 99.503 -3.197 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 0 C4'-C3'-C2' 99.426 -3.274 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 C5'-C4'-O4' 114.008 3.435 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.919 0 C5'-C4'-C3' 109.749 -3.834 . 0.675 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.885 0 C4'-C3'-C2' 99.659 -3.041 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 C4'-C3'-C2' 99.223 -3.477 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.843 0 C4'-C3'-C2' 99.308 -3.392 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O4'-C1'-N19 111.895 3.695 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.927 1 C4'-C3'-C2' 98.167 -4.533 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.455 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.577 2 O5'-C5'-C4' 116.967 4.833 . 0.684 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.455 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.362 0 P-O3'-C3' 123.185 2.904 . 0.119 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.625 0 O5'-C5'-C4' 115.702 3.93 . 0.526 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.895 0 C5'-C4'-C3' 110.511 -3.326 . 0.486 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 2 C3'-C2'-C1' 106.78 5.867 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 2 P-O3'-C3' 129.088 7.823 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.829 0 C5'-C4'-O4' 114.088 3.491 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 1 O4'-C1'-N19 112.477 4.277 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.873 2 O4'-C1'-N19 112.717 4.517 . 0.76 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.95 2 O4'-C1'-N19 113.218 5.018 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 1 C4'-C3'-C2' 98.452 -4.248 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 2 O4'-C1'-N19 112.531 4.331 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 98.773 -3.927 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.782 3.582 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.27 161.39 7.13 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.782 2.988 . . . . 0.0 114.08 172.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -133.59 -44.35 0.82 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.214 1.406 . . . . 0.0 112.827 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 25.4 m -144.04 72.2 1.34 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.614 1.566 . . . . 0.0 110.43 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.07 -28.48 66.56 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.163 -0.96 . . . . 0.0 111.414 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 67.0 p -69.95 14.39 0.11 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 130.909 3.683 . . . . 0.0 114.464 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -90.94 129.19 45.04 Favored Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 126.276 1.83 . . . . 0.0 109.727 -169.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . 0.449 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 55.5 Cg_endo -69.11 -25.53 31.52 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 121.732 1.621 . . . . 0.0 113.284 -169.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -75.0 -43.48 53.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.782 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.9 mp -67.99 -47.93 67.16 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.379 0.424 . . . . 0.0 110.715 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.11 -44.05 87.5 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.51 0.596 . . . . 0.0 111.676 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -66.93 -28.43 68.29 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.581 -1.325 . . . . 0.0 114.506 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -117.87 82.38 1.82 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 0.0 112.052 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 18.6 mm -48.4 -41.49 46.5 Favored Pre-proline 0 N--CA 1.488 1.44 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.85 -38.61 85.76 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.699 2.266 . . . . 0.0 114.284 172.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.6 ttp -81.94 -30.82 31.57 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.092 -0.38 . . . . 0.0 111.854 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -58.39 -51.57 69.26 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.218 0.532 . . . . 0.0 111.13 168.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.39 -24.12 64.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.889 1.676 . . . . 0.0 113.487 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -50.79 -45.01 59.03 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.0 m -67.17 -16.66 64.44 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 87.4 mt -94.52 -8.39 38.47 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.862 1.265 . . . . 0.0 113.458 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 62.37 20.45 11.85 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 83.2 mt -109.06 16.71 22.35 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.435 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -65.54 20.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -86.42 -29.1 23.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 168.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -92.77 10.76 29.48 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.671 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 67.0 m -49.63 -39.86 37.35 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.18 -24.75 47.05 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.281 0.946 . . . . 0.0 112.789 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.63 -19.32 57.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.1 0.476 . . . . 0.0 110.925 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . 0.476 HD23 ' HE3' ' A' ' 491' ' ' LYS . 73.6 mt -111.57 -18.41 12.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.987 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.7 t -67.6 -14.46 62.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 173.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -75.22 -1.48 64.18 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 114.949 0.74 . . . . 0.0 114.949 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.6 m -131.48 131.66 23.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 117.979 0.89 . . . . 0.0 109.241 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.11 157.78 56.71 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.129 1.886 . . . . 0.0 111.338 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.424 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.9 p-90 -60.55 -55.08 37.64 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.622 -172.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -34.18 -27.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 172.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -117.08 -30.05 5.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.83 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.413 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.4 tp -46.43 -56.74 5.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 121.59 0.71 . . . . 0.0 110.557 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.553 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.314 42.2 pt -42.61 -34.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 175.142 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -85.08 4.34 34.6 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.5 mm? -58.95 168.25 1.35 Allowed 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 122.109 0.957 . . . . 0.0 112.469 171.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -127.71 165.5 19.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.865 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -52.48 -48.37 65.95 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.023 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.67 -44.39 90.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.021 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 10.4 m -63.74 -39.14 93.55 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.715 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -49.41 77.07 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 117.916 0.326 . . . . 0.0 111.252 173.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -42.27 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.286 0.494 . . . . 0.0 111.313 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.99 -9.94 59.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . 0.476 ' HE3' HD23 ' A' ' 472' ' ' LEU . 17.3 ttpt -95.74 -6.57 39.46 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 110.02 16.29 10.77 Favored Glycine 0 N--CA 1.473 1.161 0 O-C-N 123.094 0.246 . . . . 0.0 113.33 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 9.5 t -112.76 60.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.414 ' H ' HD22 ' A' ' 494' ' ' LEU . 0.8 OUTLIER -63.88 -31.85 73.17 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.99 -1.459 . . . . 0.0 114.206 -167.097 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.08 140.33 47.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.27 -47.64 82.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.183 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.77 -65.43 3.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.03 -66.87 0.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 169.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -63.11 -36.36 83.34 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.24 -40.04 92.56 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.65 1.114 . . . . 0.0 111.563 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -67.34 -28.69 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.86 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.13 -46.5 80.69 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.408 169.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.4 mt -57.28 -37.17 71.98 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.541 1.064 . . . . 0.0 113.28 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.2 -59.24 5.33 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.659 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.92 -47.96 51.98 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.603 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.553 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.21 -45.68 83.6 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 129.335 3.054 . . . . 0.0 113.139 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.14 -29.68 75.42 Favored Glycine 0 CA--C 1.526 0.757 0 O-C-N 119.876 -1.765 . . . . 0.0 111.825 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.78 -69.83 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.572 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.9 m -41.52 -56.82 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 C-N-CA 119.004 -1.078 . . . . 0.0 113.708 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.572 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.9 mt -39.28 -45.27 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 CA-C-N 119.684 1.129 . . . . 0.0 113.322 170.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.34 -51.06 71.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.909 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -62.66 -31.34 72.2 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 171.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -69.85 -37.97 76.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.909 0.777 . . . . 0.0 111.189 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -69.97 -11.13 60.64 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.159 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -102.34 -22.36 14.13 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.114 173.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 20.1 t70 78.83 20.74 0.76 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 124.843 1.339 . . . . 0.0 113.178 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 3.7 mp -78.2 -3.92 45.07 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.3 mm -64.25 142.47 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.513 0.673 . . . . 0.0 110.466 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.6 145.9 40.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.498 1.142 . . . . 0.0 109.757 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -64.19 -15.92 60.9 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.474 -1.239 . . . . 0.0 114.208 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 19.9 m -78.38 -15.78 58.33 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -69.03 -27.57 65.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.419 1.009 . . . . 0.0 112.545 175.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.695 -174.54 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.391 -3.309 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.897 0 C4'-C3'-C2' 99.117 -3.583 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.989 0 C5'-C4'-O4' 114.33 3.665 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.895 1 C5'-C4'-C3' 109.365 -4.09 . 0.646 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.812 0 C4'-C3'-C2' 99.463 -3.237 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 0 O4'-C1'-N19 111.834 3.634 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.009 0 C4'-C3'-C2' 99.364 -3.336 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.897 3.697 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . 0.449 " H2'" ' C6 ' ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.091 1 C4'-C3'-C2' 98.342 -4.358 . 0.835 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.449 ' C6 ' " H2'" ' B' ' 532' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.743 1 O4'-C1'-N19 112.639 4.439 . 0.649 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.416 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.402 -2.359 0 P-O3'-C3' 122.44 2.283 . 0.114 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.628 0 O5'-C5'-C4' 114.851 3.322 . 0.579 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.363 0 C5'-C4'-C3' 110.986 -3.009 . 0.087 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C4'-C3'-C2' 99.64 -3.06 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 0 C5'-C4'-C3' 112.11 -2.26 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 1.643 0 C4'-C3'-C2' 99.271 -3.429 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 1 O4'-C1'-N19 113.308 5.108 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.996 2 C4'-C3'-C2' 98.208 -4.492 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 2 O4'-C1'-N19 113.248 5.048 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 1 C4'-C3'-C2' 98.296 -4.404 . 0.622 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 2 O4'-C1'-N19 112.72 4.52 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.816 -3.884 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.329 -3.371 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.32 151.19 83.9 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.932 2.422 . . . . 0.0 111.772 173.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -153.31 -42.83 0.1 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.73 1.212 . . . . 0.0 112.234 173.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 15.6 m -60.73 5.63 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.481 2.312 . . . . 0.0 115.273 174.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.06 -40.18 84.35 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.28 1.432 . . . . 0.0 111.806 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 82.2 p -67.73 20.37 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.959 3.304 . . . . 0.0 114.849 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -108.96 128.59 25.19 Favored Pre-proline 0 N--CA 1.47 0.535 0 C-N-CA 125.718 1.607 . . . . 0.0 110.083 -168.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . 0.506 ' HA ' ' HB2' ' A' ' 522' ' ' ALA . 57.8 Cg_endo -70.59 -24.65 25.62 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.926 1.75 . . . . 0.0 113.376 -168.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -74.61 -39.07 62.39 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.728 0.411 . . . . 0.0 110.249 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.83 -48.46 58.9 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 170.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.99 -35.69 71.56 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -63.12 -53.81 47.64 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.93 -1.106 . . . . 0.0 111.799 168.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -96.82 85.11 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 27.1 mm -48.1 -41.63 43.77 Favored Pre-proline 0 N--CA 1.49 1.555 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.06 -34.9 98.58 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.257 2.638 . . . . 0.0 114.777 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.2 ttp -80.4 -31.9 37.62 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.725 -0.609 . . . . 0.0 111.48 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.57 -52.65 64.54 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.036 0.446 . . . . 0.0 111.597 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.0 -20.62 65.03 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.476 1.51 . . . . 0.0 113.934 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -50.73 34.89 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 4.9 t -60.78 4.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.0 mt -129.19 -15.05 4.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.256 2.222 . . . . 0.0 112.04 -174.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.33 1.3 mpp_? 62.99 23.98 14.31 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.084 1.421 . . . . 0.0 114.265 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.48 10.84 38.66 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.718 -2.492 . . . . 0.0 109.242 167.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -64.32 13.58 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -82.03 -34.35 29.56 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 166.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -90.97 13.15 17.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.787 -173.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 54.8 m -47.97 -39.28 18.95 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.343 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -77.11 -25.32 52.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.23 1.377 . . . . 0.0 112.997 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.93 58.44 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.619 0.724 . . . . 0.0 110.375 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.93 -20.98 12.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.388 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 9.8 m -71.92 -12.69 61.38 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.47 1.83 18.64 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 119.446 -0.641 . . . . 0.0 114.431 169.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 15.2 m -137.66 134.67 18.44 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -72.07 158.16 52.85 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.859 1.706 . . . . 0.0 111.248 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.444 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.7 p-90 -60.2 -55.42 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.04 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.444 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.4 tp -35.13 -26.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -116.38 -31.76 5.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.867 -0.587 . . . . 0.0 111.63 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.408 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 10.7 tp -44.87 -59.65 2.44 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-O 121.564 0.697 . . . . 0.0 110.508 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.563 HD12 HG12 ' A' ' 510' ' ' ILE 0.318 39.3 pt -43.69 -32.29 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 175.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -86.34 4.69 38.12 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 171.14 0.76 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.954 0.883 . . . . 0.0 113.108 172.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.63 166.48 17.99 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.147 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.0 -49.79 62.62 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.395 1.093 . . . . 0.0 113.814 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.75 -40.04 84.16 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.002 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 6.7 m -62.64 -39.44 93.85 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.292 -0.88 . . . . 0.0 111.162 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.4 mp -56.21 -53.88 51.93 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.909 0.777 . . . . 0.0 111.44 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -61.19 -30.2 70.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 119.949 1.25 . . . . 0.0 113.969 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.59 -13.05 59.39 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -88.97 -12.07 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.55 13.8 7.87 Favored Glycine 0 N--CA 1.474 1.229 0 O-C-N 123.473 0.483 . . . . 0.0 113.733 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.3 t -109.33 62.69 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 122.776 1.274 . . . . 0.0 107.786 -174.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -37.23 85.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.763 -168.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -69.94 141.06 53.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.154 0.434 . . . . 0.0 111.327 -174.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.68 -42.41 92.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.815 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.92 -65.69 3.07 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.864 -0.409 . . . . 0.0 112.248 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.85 -57.52 0.45 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 168.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . 0.489 ' HA ' HD23 ' A' ' 488' ' ' LEU . 12.8 ttm180 -50.58 -59.92 3.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -55.9 -37.51 68.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.922 0.783 . . . . 0.0 112.89 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -65.14 -35.83 82.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.13 -50.71 67.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.731 0.696 . . . . 0.0 111.049 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.1 -35.26 74.83 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.148 0.885 . . . . 0.0 113.259 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -59.62 -61.09 2.88 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.412 169.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.49 41.13 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 10.9 m-30 -60.59 -42.45 96.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 129.754 3.222 . . . . 0.0 113.732 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.52 -30.59 73.14 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 119.48 -2.013 . . . . 0.0 112.088 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.82 -67.68 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.612 HG23 ' H ' ' A' ' 510' ' ' ILE . 7.5 m -41.75 -56.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.604 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.612 ' H ' HG23 ' A' ' 509' ' ' VAL . 38.4 mt -39.14 -45.38 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-N 119.985 1.266 . . . . 0.0 113.353 170.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.38 -54.04 51.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.561 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -61.15 -27.52 68.45 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -68.37 -43.41 77.41 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.727 0.775 . . . . 0.0 110.253 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.58 -8.77 56.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 113.831 -1.532 . . . . 0.0 112.234 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.68 -22.75 13.52 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.281 172.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 16.8 t70 85.74 16.38 0.13 Allowed 'General case' 0 N--CA 1.479 0.979 0 O-C-N 125.281 1.613 . . . . 0.0 113.005 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.93 -4.83 51.77 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 27.9 mm -54.57 -58.65 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.44 ' HB3' ' HG3' ' A' ' 450' ' ' PRO . 19.4 t70 107.18 149.81 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 127.842 3.214 . . . . 0.0 109.758 -170.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -70.08 -10.45 58.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 58.5 m -72.0 -25.44 61.83 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 450' ' ' PRO . . . -74.13 -42.03 60.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.993 0.815 . . . . 0.0 112.49 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-N 113.894 -1.503 . . . . 0.0 113.795 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C4'-C3'-C2' 99.09 -3.61 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.945 0 C4'-C3'-C2' 98.984 -3.716 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 1 C4'-C3'-C2' 98.403 -4.297 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.026 0 C5'-C4'-O4' 114.234 3.596 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 C5'-C4'-O4' 113.532 3.095 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.921 0 C5'-C4'-C3' 109.662 -3.892 . 0.874 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.844 0 C5'-C4'-O4' 113.339 2.956 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 O4'-C1'-N19 112.156 3.956 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.929 1 C4'-C3'-C2' 98.204 -4.496 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.341 2 O5'-C5'-C4' 118.514 5.938 . 0.704 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.403 -2.315 0 P-O3'-C3' 123.291 2.993 . 0.124 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 1 O5'-C5'-C4' 116.84 4.743 . 0.537 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . 0.427 " H2'" " H3'" ' B' ' 537' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.553 0 C5'-C4'-C3' 110.919 -3.054 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . 0.427 " H3'" " H2'" ' B' ' 536' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.29 2 C3'-C2'-C1' 95.409 -6.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.518 0 O4'-C1'-N19 111.999 3.799 . 0.022 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.816 0 C4'-C3'-C2' 99.259 -3.441 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 1 O4'-C1'-N19 113.447 5.247 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 2 C4'-C3'-C2' 98.244 -4.456 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 O4'-C1'-N19 113.348 5.148 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.97 1 C4'-C3'-C2' 98.206 -4.494 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.963 2 O4'-C1'-N19 112.798 4.598 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.928 0 C4'-C3'-C2' 98.725 -3.975 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.678 3.478 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 58.7 ttm . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 118.83 -0.605 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.48 137.27 57.46 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.823 3.015 . . . . 0.0 113.669 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -141.13 -1.23 1.38 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 25.8 m -128.36 8.11 5.96 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.005 1.722 . . . . 0.0 113.038 -174.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.98 -34.72 77.09 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.082 -1.011 . . . . 0.0 111.934 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 77.5 p -68.72 24.92 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.773 3.629 . . . . 0.0 114.04 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.88 130.04 23.48 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 127.106 2.162 . . . . 0.0 109.425 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.28 -22.65 25.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 121.433 1.422 . . . . 0.0 113.238 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.74 -43.63 45.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.27 -51.06 65.4 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.41 -37.15 79.94 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -59.78 -53.58 56.25 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.64 -0.663 . . . . 0.0 112.674 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . 0.431 HD22 ' HB2' ' A' ' 458' ' ' MET . 0.7 OUTLIER -110.79 95.66 5.69 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 122.387 1.089 . . . . 0.0 112.584 -178.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.9 mm -45.87 -40.55 16.19 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-N 112.646 -2.07 . . . . 0.0 115.524 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.78 -38.74 78.17 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.0 1.8 . . . . 0.0 114.761 173.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . 0.431 ' HB2' HD22 ' A' ' 455' ' ' ASN . 18.5 ttp -78.17 -32.26 50.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.196 178.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -56.76 -47.65 79.62 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 168.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.46 -28.28 69.56 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 173.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -52.36 -48.15 65.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 65.7 m -67.43 -8.49 33.61 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 72.7 mt -104.71 -6.59 20.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.364 1.465 . . . . 0.0 113.561 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 62.43 21.64 12.72 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -169.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 82.9 mt -113.78 19.93 16.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.34 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -66.88 23.47 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -95.71 -38.77 10.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 168.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -90.68 6.79 42.52 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.439 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 11.0 p -52.3 -33.49 42.48 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -80.05 -28.31 39.26 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.08 -18.44 63.99 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.226 172.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.37 -14.69 12.75 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.13 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 22.8 t -64.96 -20.4 66.46 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.96 -2.39 38.33 Favored Glycine 0 CA--C 1.541 1.69 0 N-CA-C 115.223 0.849 . . . . 0.0 115.223 172.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 48.8 m -132.28 130.56 21.99 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 117.839 0.819 . . . . 0.0 109.43 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.22 160.53 48.67 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.061 1.841 . . . . 0.0 111.243 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.7 p-90 -60.8 -55.09 37.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.785 -170.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.433 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -35.25 -28.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 172.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -111.32 -32.67 6.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 123.454 0.471 . . . . 0.0 112.267 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.9 tp -49.74 -56.16 11.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.89 0.744 . . . . 0.0 110.064 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.555 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.324 36.4 pt -42.37 -37.33 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.41 ' CD1' HG13 ' A' ' 481' ' ' ILE . 14.4 m-30 -79.05 2.08 21.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.81 169.19 1.48 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 122.316 1.055 . . . . 0.0 113.429 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -129.65 167.21 18.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -58.94 -40.86 85.93 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.52 -49.65 68.16 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 122.333 -0.229 . . . . 0.0 111.453 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 26.3 m -59.94 -36.56 77.33 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.789 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.5 mp -55.41 -53.21 59.11 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.317 170.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.2 -36.28 65.77 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -86.02 -9.94 55.9 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -96.34 -11.56 25.66 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.53 12.72 9.36 Favored Glycine 0 N--CA 1.474 1.228 0 CA-C-O 120.046 -0.308 . . . . 0.0 113.277 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 10.0 t -107.6 63.59 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 122.525 1.155 . . . . 0.0 108.161 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -39.85 82.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.99 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.61 140.14 55.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.119 0.485 . . . . 0.0 111.658 -175.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.0 tp -61.68 -43.42 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.97 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -59.21 -65.75 3.25 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.59 -61.72 0.32 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.786 0.933 . . . . 0.0 113.188 167.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . 0.432 ' HA ' HD23 ' A' ' 488' ' ' LEU . 17.8 ttp-105 -50.58 -57.64 7.69 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 34.8 mtp-105 -54.79 -37.57 66.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.847 0.749 . . . . 0.0 112.613 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.37 -33.26 72.79 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.589 -0.719 . . . . 0.0 112.129 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.03 -49.91 70.55 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.974 0.807 . . . . 0.0 111.086 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.59 -36.55 76.48 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.859 0.838 . . . . 0.0 112.701 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -59.95 -60.34 3.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.303 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.84 -47.51 31.36 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.307 1.004 . . . . 0.0 112.382 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.555 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.5 m-30 -56.68 -48.68 77.09 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 128.976 2.91 . . . . 0.0 113.815 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.96 -30.15 76.92 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 120.041 -1.662 . . . . 0.0 111.711 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.95 -71.64 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.538 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.72 -55.36 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 119.118 -1.033 . . . . 0.0 113.645 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.538 ' H ' HG23 ' A' ' 509' ' ' VAL . 35.5 mt -39.13 -46.31 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 CA-C-N 119.457 1.026 . . . . 0.0 113.396 170.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -58.45 -56.12 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.944 0.777 . . . . 0.0 109.449 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.4 -26.41 63.22 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.407 ' HE2' HD11 ' A' ' 478' ' ' ILE . 59.5 tttm -69.95 -44.92 68.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.183 0.447 . . . . 0.0 110.567 174.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.08 -20.77 60.17 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -86.17 -23.09 26.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.656 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.5 t70 72.42 25.06 2.82 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 124.488 1.117 . . . . 0.0 112.892 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.59 -11.91 59.91 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.8 mt -75.65 155.99 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.483 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.54 152.55 24.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 122.881 1.324 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.06 -14.73 62.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.083 -1.417 . . . . 0.0 114.404 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 21.0 m -83.23 -13.5 55.2 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.8 78.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.937 0.79 . . . . 0.0 111.251 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.255 1.356 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.047 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.054 0 C4'-C3'-C2' 99.508 -3.192 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.906 0 C4'-C3'-C2' 98.914 -3.786 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.87 1 C4'-C3'-C2' 98.498 -4.202 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.929 0 C4'-C3'-C2' 99.162 -3.538 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.942 0 O4'-C1'-N19 111.307 3.107 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 99.373 -3.327 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.913 0 C4'-C3'-C2' 99.292 -3.408 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 0 O4'-C1'-N19 112.025 3.825 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.92 1 C4'-C3'-C2' 97.853 -4.847 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.422 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.529 2 O4'-C1'-N19 113.141 4.941 . 0.675 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.422 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.405 -2.21 0 P-O3'-C3' 122.848 2.624 . 0.136 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 1 O5'-C5'-C4' 116.461 4.472 . 0.557 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.645 0 C5'-C4'-C3' 110.523 -3.318 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 2 C3'-C2'-C1' 95.607 -6.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.311 2 P-O3'-C3' 125.605 4.921 . 0.14 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.914 0 C4'-C3'-C2' 99.464 -3.236 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 112.186 3.986 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.891 2 C5'-C4'-C3' 108.629 -4.58 . 0.769 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.686 3.486 . 0.973 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.867 0 C5'-C4'-C3' 109.972 -3.685 . 0.951 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 1 O4'-C1'-N19 112.735 4.535 . 0.909 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 1 C4'-C3'-C2' 98.559 -4.141 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 111.76 3.56 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.52 -19.08 22.15 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.246 2.631 . . . . 0.0 113.898 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt 48.84 -12.77 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 1 C-N-CA 132.147 4.179 . . . . 0.0 119.643 177.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 448' ' ' THR . 61.0 p -140.75 -84.04 0.22 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.286 1.434 . . . . 0.0 112.209 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 16.9 mt 63.64 -28.97 0.09 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 129.465 3.106 . . . . 0.0 114.168 -168.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' ' 512' ' ' TYR . 63.8 p -66.78 14.38 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.586 1 C-N-CA 132.75 4.42 . . . . 0.0 113.764 169.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.09 125.34 57.09 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 126.175 1.79 . . . . 0.0 108.937 -169.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.36 -28.08 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.678 1.585 . . . . 0.0 113.152 -168.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -70.89 -45.6 64.05 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -50.5 68.26 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.065 172.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.33 -36.98 74.21 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.58 -50.74 72.3 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.2 95.0 5.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 15.7 mm -47.52 -40.08 25.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.54 -43.2 46.32 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.951 1.767 . . . . 0.0 113.699 172.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.0 ttp -79.94 -29.93 39.82 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.529 0.604 . . . . 0.0 111.604 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -57.35 -48.58 78.64 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.498 -0.751 . . . . 0.0 111.17 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -72.08 -29.34 64.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.264 1.426 . . . . 0.0 113.323 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -53.34 -43.44 67.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 167.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 7.6 t -58.94 -18.0 29.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.83 -4.2 21.05 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.725 1.61 . . . . 0.0 113.353 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 61.75 15.88 7.38 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 85.6 mt -94.72 11.84 29.9 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -60.86 15.32 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 467' ' ' LYS . 22.2 ttpt -80.99 -38.52 27.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.589 1.185 . . . . 0.0 110.181 168.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -84.79 11.48 9.07 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.269 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 62.8 p -55.03 -40.96 70.76 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -77.32 -25.48 51.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.55 1.068 . . . . 0.0 112.449 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -74.83 -26.14 59.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 63.2 mt -106.64 -17.8 14.14 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.857 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 25.6 t -65.76 -15.85 63.24 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -70.67 -2.3 43.32 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 119.188 -0.784 . . . . 0.0 115.054 170.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -131.93 133.7 24.35 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.827 0.814 . . . . 0.0 109.477 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.0 159.4 50.32 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.717 1.611 . . . . 0.0 111.139 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.9 p-90 -61.44 -55.89 26.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.354 -172.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.3 tp -34.47 -25.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -115.77 -29.47 6.4 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.88 -55.01 12.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.586 0.554 . . . . 0.0 109.91 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.568 HD12 HG12 ' A' ' 510' ' ' ILE 0.314 42.2 pt -43.0 -35.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 174.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -83.95 7.82 17.11 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.14 171.02 1.08 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.19 0.995 . . . . 0.0 112.564 171.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -133.19 168.55 18.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.195 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.64 -43.49 89.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.06 -44.11 80.96 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.954 -0.466 . . . . 0.0 111.948 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 25.0 m -62.68 -39.01 92.63 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 110.936 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.44 -46.8 88.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.337 0.517 . . . . 0.0 111.109 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.95 -41.14 70.73 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 118.195 0.452 . . . . 0.0 112.084 175.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.82 -15.98 46.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -86.37 -13.43 46.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 118.35 11.16 8.26 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 119.229 -0.761 . . . . 0.0 114.136 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.4 t -101.35 67.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.83 -25.66 59.16 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.03 140.27 52.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.837 1.199 . . . . 0.0 111.815 174.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.09 -45.63 93.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.615 170.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.05 -65.27 3.7 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -174.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -32.74 -67.43 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 166.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -46.02 -56.61 5.31 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.94 -33.32 71.74 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.714 0.688 . . . . 0.0 112.707 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -74.99 -28.45 60.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.923 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.08 -49.8 74.5 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.81 1.187 . . . . 0.0 108.976 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.11 -37.98 75.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.819 0.736 . . . . 0.0 112.946 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -60.83 -61.66 2.42 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.281 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -47.95 -51.66 22.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.189 0.931 . . . . 0.0 112.626 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.548 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 15.6 m-30 -52.72 -49.95 64.37 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 129.823 3.249 . . . . 0.0 112.979 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.92 -29.83 75.96 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.069 -1.644 . . . . 0.0 111.88 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.41 -71.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.501 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.7 m -41.45 -55.71 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 118.843 -1.143 . . . . 0.0 113.853 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.568 HG12 HD12 ' A' ' 481' ' ' ILE . 30.7 mt -38.73 -46.42 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 170.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -59.12 -55.57 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.239 0.962 . . . . 0.0 109.324 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . 0.464 ' CG ' HG21 ' A' ' 448' ' ' THR . 6.3 m-85 -57.38 -29.47 64.1 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 173.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -69.51 -42.2 75.04 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 118.059 0.391 . . . . 0.0 110.519 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.28 -17.06 58.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -87.27 -23.34 24.72 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.876 172.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.6 t70 87.87 16.47 0.08 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.244 2.215 . . . . 0.0 112.593 172.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.42 -6.6 53.98 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.22 137.9 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -75.56 9.11 2.39 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -171.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.269 50.0 mmt-85 49.22 11.21 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 118.695 2.85 . . . . 0.0 118.695 -168.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 49.3 m -109.82 -9.83 14.79 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.116 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -72.42 -28.27 62.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 . . . . . 0 C--O 1.254 1.315 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.882 -174.581 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 O4'-C1'-N19 111.129 2.929 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.01 0 C4'-C3'-C2' 99.375 -3.325 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.119 0 C5'-C4'-O4' 113.375 2.982 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.788 0 C5'-C4'-C3' 109.511 -3.992 . 0.428 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C5'-C4'-O4' 112.623 2.445 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 1 C5'-C4'-C3' 109.259 -4.161 . 0.766 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.907 0 C5'-C4'-O4' 113.833 3.309 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 1 O4'-C1'-N19 112.228 4.028 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.869 1 C4'-C3'-C2' 98.0 -4.7 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.445 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.532 2 O5'-C5'-C4' 118.008 5.577 . 0.642 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.445 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.4 -2.523 1 C3'-C2'-C1' 97.723 -4.196 . 0.155 2z . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O5'-C5'-C4' 114.92 3.372 . 0.533 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.254 0 C5'-C4'-C3' 110.299 -3.468 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C3'-C2'-C1' 104.074 2.86 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.289 1 P-O3'-C3' 127.747 6.706 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 1.552 0 C4'-C3'-C2' 99.206 -3.494 . 0.957 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 1 O4'-C1'-N19 112.202 4.002 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.693 2 O4'-C1'-N19 112.801 4.601 . 0.587 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 111.992 3.792 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.081 1 C5'-C4'-C3' 109.129 -4.247 . 0.93 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.081 1 O4'-C1'-N19 112.725 4.525 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.03 0 C4'-C3'-C2' 99.181 -3.519 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.422 3.222 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.31 -64.76 0.22 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 125.018 3.812 . . . . 0.0 115.382 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 51.56 0.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 129.207 3.003 . . . . 0.0 117.387 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 16.0 m -130.38 8.7 5.07 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.632 2.373 . . . . 0.0 112.64 -171.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.4 mt -71.63 -39.16 70.61 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.073 -1.017 . . . . 0.0 111.261 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 57.5 p -67.12 16.43 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 130.276 3.431 . . . . 0.0 115.08 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -98.91 132.4 23.76 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.329 1.851 . . . . 0.0 109.802 -169.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.02 -27.48 25.16 Favored 'Trans proline' 0 C--N 1.346 0.403 0 CA-C-N 121.236 1.477 . . . . 0.0 113.335 -168.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -72.24 -39.93 68.1 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.7 -46.71 52.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.871 172.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.401 HD22 ' CE3' ' A' ' 477' ' ' TRP . 51.2 mt -57.75 -42.8 84.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 118.368 0.531 . . . . 0.0 111.479 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -66.45 -29.59 69.76 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.335 -1.478 . . . . 0.0 114.511 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -122.32 86.63 2.61 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 122.314 1.054 . . . . 0.0 113.026 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 25.0 mm -50.05 -40.24 53.65 Favored Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.97 -44.98 34.79 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.89 2.394 . . . . 0.0 114.745 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 7.4 mtm -78.35 -30.66 48.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 121.392 -0.817 . . . . 0.0 111.395 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -56.75 -38.07 71.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.837 0.827 . . . . 0.0 110.969 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 10.1 tp -82.9 -31.38 27.86 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.188 1.795 . . . . 0.0 114.274 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -49.78 -51.23 40.87 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 91.0 p -65.66 -16.34 63.64 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 68.1 mt -90.17 -9.26 48.85 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.653 1.581 . . . . 0.0 113.578 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 53.8 mmm-85 62.38 24.8 14.79 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.9 14.42 28.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.008 -0.996 . . . . 0.0 112.545 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -67.44 27.08 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.56 -41.27 60.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 164.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . 0.255 22.6 m-85 -86.77 -177.29 6.07 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 112.691 -2.049 . . . . 0.0 106.881 169.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 3.0 m 154.34 -66.86 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -68.52 -26.47 65.45 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.727 0.299 . . . . 0.0 111.662 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.93 -26.56 64.2 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 122.388 1.09 . . . . 0.0 112.139 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.8 mt -104.95 -16.94 14.69 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 113.822 -1.536 . . . . 0.0 110.339 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.6 p -65.67 -23.05 66.7 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.14 1.4 11.62 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.576 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 47.0 m -133.78 128.26 19.77 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.67 159.98 49.45 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.968 1.779 . . . . 0.0 110.663 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.425 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 34.1 p-90 -61.34 -56.48 19.96 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.847 -171.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.425 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.1 tp -33.36 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 170.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -115.17 -28.26 7.01 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 11.2 tp -49.49 -55.58 12.78 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 109.707 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.567 HG22 HG21 ' A' ' 509' ' ' VAL 0.328 36.9 pt -43.32 -37.06 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.296 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 173.597 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.4 ' CD1' HG13 ' A' ' 481' ' ' ILE . 12.3 m-30 -77.9 5.44 9.68 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 170.75 0.62 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.372 1.082 . . . . 0.0 113.678 174.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -134.28 171.21 14.57 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.561 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.02 -43.42 91.56 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.953 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.97 -46.88 76.47 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 28.0 m -62.77 -38.43 90.57 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.865 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.14 -45.52 94.32 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.81 0.732 . . . . 0.0 111.657 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -37.11 62.48 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 119.023 0.829 . . . . 0.0 111.862 171.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -82.53 -18.43 41.53 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -73.04 -24.68 60.74 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.757 0.423 . . . . 0.0 111.213 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.82 4.49 16.83 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 123.828 0.705 . . . . 0.0 113.614 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.5 68.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -33.75 68.04 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.2 -0.937 . . . . 0.0 112.789 -168.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.42 136.14 55.31 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.332 0.514 . . . . 0.0 111.855 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.582 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -55.38 -67.28 2.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.96 -67.1 0.14 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 166.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -45.08 -56.31 4.82 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.2 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -75.08 -26.67 59.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.575 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.71 -47.68 80.14 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.636 1.107 . . . . 0.0 109.302 167.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.38 -38.94 75.03 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.775 0.716 . . . . 0.0 112.846 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -62.49 -57.75 10.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.404 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.17 -52.1 28.59 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.027 0.829 . . . . 0.0 112.483 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.526 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.5 m-30 -51.31 -46.28 62.51 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.55 3.14 . . . . 0.0 113.449 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.52 78.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 120.151 -1.593 . . . . 0.0 112.121 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 9.7 mt -70.67 -69.97 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.567 HG21 HG22 ' A' ' 481' ' ' ILE . 3.7 m -41.81 -55.76 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.723 -1.191 . . . . 0.0 113.94 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.546 HG12 HD12 ' A' ' 481' ' ' ILE . 26.4 mt -38.44 -46.11 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 CA-C-N 119.5 1.046 . . . . 0.0 113.682 170.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.04 -56.08 26.81 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.863 0.727 . . . . 0.0 109.51 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -58.4 -25.91 62.65 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 478' ' ' ILE . 53.5 tttm -71.78 -43.15 66.19 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.482 0.583 . . . . 0.0 111.067 174.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -75.17 -20.05 59.53 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -84.49 -28.33 26.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.679 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . 0.263 29.2 t70 74.66 28.41 1.21 Allowed 'General case' 0 CA--C 1.552 1.019 0 O-C-N 124.698 1.249 . . . . 0.0 113.197 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.9 mp -83.22 -8.37 59.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 38.8 mt -74.9 158.53 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.104 -175.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -84.58 140.54 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 122.399 1.095 . . . . 0.0 110.91 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -58.64 -16.5 16.41 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 114.152 -1.386 . . . . 0.0 114.726 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 20.1 m -75.78 -17.14 59.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.18 72.84 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.031 0.832 . . . . 0.0 112.099 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.909 -1.042 . . . . 0.0 113.244 -175.276 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.259 0 O4'-C1'-N19 110.981 2.781 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.899 0 C4'-C3'-C2' 99.204 -3.496 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.092 0 C5'-C4'-O4' 113.995 3.425 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.869 0 C5'-C4'-C3' 109.506 -3.996 . 0.607 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 C4'-C3'-C2' 99.633 -3.067 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 C4'-C3'-C2' 99.08 -3.62 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.903 1 C4'-C3'-C2' 98.649 -4.051 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 111.65 3.45 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C5'-C4'-C3' 110.791 -3.14 . 0.891 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.25 2 C5'-C4'-C3' 106.567 -5.955 . 0.482 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.495 0 O5'-C5'-C4' 112.794 1.853 . 0.063 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.037 1 O5'-C5'-C4' 116.595 4.568 . 0.508 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 109.855 -3.764 . 0.162 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 2 C3'-C2'-C1' 107.017 6.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.901 2 P-O3'-C3' 127.956 6.88 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.774 0 C5'-C4'-O4' 114.098 3.499 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.944 3.744 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.888 2 C5'-C4'-C3' 108.174 -4.884 . 0.894 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.066 -3.634 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.96 0 C5'-C4'-C3' 110.101 -3.6 . 0.939 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 2 O4'-C1'-N19 112.479 4.279 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 1 C4'-C3'-C2' 98.603 -4.097 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.72 3.52 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.52 166.42 1.85 Allowed 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.855 3.037 . . . . 0.0 114.921 172.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.21 95.4 4.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.155 1.782 . . . . 0.0 109.95 178.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 6.9 t 36.34 74.08 0.08 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.748 2.419 . . . . 0.0 113.716 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 36.7 mt -64.96 -34.81 79.32 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.216 -0.927 . . . . 0.0 112.218 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 43.5 p -67.54 23.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 130.819 3.648 . . . . 0.0 114.888 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.81 130.51 23.67 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 127.165 2.186 . . . . 0.0 110.066 -170.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.81 -24.74 24.52 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.656 1.57 . . . . 0.0 113.286 -169.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -73.72 -45.74 50.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -53.25 55.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.018 172.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.9 mt -56.15 -42.4 76.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.04 -48.4 81.72 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.77 96.98 6.39 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 16.6 mm -45.86 -40.61 16.31 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.03 -44.71 36.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.148 1.899 . . . . 0.0 113.423 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 14.9 ttp -80.1 -30.12 39.13 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.293 0.497 . . . . 0.0 111.829 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -56.67 -48.02 78.53 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.683 -0.636 . . . . 0.0 111.05 166.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.09 -27.79 61.06 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.025 1.33 . . . . 0.0 113.64 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -54.19 -40.55 67.67 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.762 -0.587 . . . . 0.0 112.409 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 67.7 m -69.71 14.58 0.1 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 81.6 mt -138.66 -12.02 1.33 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.789 2.435 . . . . 0.0 112.689 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.265 1.4 mpt_? 62.04 24.93 14.91 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 123.273 1.511 . . . . 0.0 114.784 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 69.0 mt -104.98 14.77 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 111.878 -2.419 . . . . 0.0 109.046 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -63.96 7.32 0.13 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.08 -30.55 49.67 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -89.59 12.54 16.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.047 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 47.4 t -47.51 -54.06 12.65 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.47 -17.39 59.32 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -76.32 -17.17 59.56 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.877 174.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 74.4 mt -121.22 -14.99 8.26 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.221 -174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 16.7 p -64.63 -21.47 66.73 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -71.12 -1.07 39.13 Favored Glycine 0 CA--C 1.538 1.483 0 CA-C-O 119.103 -0.831 . . . . 0.0 115.141 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 16.5 m -130.16 127.94 22.68 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 118.194 0.997 . . . . 0.0 109.438 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.64 160.85 48.1 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.424 2.083 . . . . 0.0 111.354 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.422 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 35.5 p-90 -61.11 -53.98 50.33 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.066 -169.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.422 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -35.35 -27.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 172.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.33 -32.6 6.21 Favored 'General case' 0 C--O 1.226 -0.152 0 O-C-N 123.575 0.547 . . . . 0.0 112.395 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.21 -56.82 8.07 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.552 0.691 . . . . 0.0 110.229 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.526 HD12 HG12 ' A' ' 510' ' ' ILE 0.311 38.9 pt -41.91 -37.64 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.418 ' CD1' HG13 ' A' ' 481' ' ' ILE . 13.0 m-30 -76.18 -2.12 29.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.89 169.33 1.48 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -129.02 168.32 16.21 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.252 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.17 -41.83 89.35 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.02 -47.57 79.72 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 122.307 -0.246 . . . . 0.0 111.264 173.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 11.4 m -61.8 -36.51 81.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.566 -0.731 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 499' ' ' ARG . 5.6 mp -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.55 1.068 . . . . 0.0 111.256 171.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -34.08 57.41 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.766 -0.584 . . . . 0.0 112.053 172.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -85.69 -18.1 34.09 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -23.12 56.31 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.148 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 114.08 17.28 7.36 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 124.162 0.914 . . . . 0.0 113.622 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 22.7 t -107.59 63.37 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.31 -32.71 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.678 -168.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.82 141.5 48.02 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.665 0.666 . . . . 0.0 112.118 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -44.49 93.88 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 174.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.69 -66.31 2.93 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.78 -62.64 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 166.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . 0.433 ' HA ' HD23 ' A' ' 488' ' ' LEU . 26.3 ttm180 -48.43 -56.8 7.25 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -177.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.07 -32.25 70.77 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.948 0.795 . . . . 0.0 112.656 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.92 -34.62 71.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.403 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.33 -52.41 64.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.325 0.966 . . . . 0.0 110.37 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.95 -36.28 74.55 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.719 0.771 . . . . 0.0 112.44 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -59.8 -59.15 5.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.718 168.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.16 -48.34 45.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.199 0.937 . . . . 0.0 112.009 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.508 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.7 m-30 -57.21 -45.21 84.0 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 129.817 3.247 . . . . 0.0 113.712 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.3 -29.81 74.71 Favored Glycine 0 CA--C 1.527 0.801 0 O-C-N 119.814 -1.804 . . . . 0.0 111.802 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.59 -70.45 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.554 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.2 m -41.83 -56.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 117.813 -1.089 . . . . 0.0 113.709 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.554 ' H ' HG23 ' A' ' 509' ' ' VAL . 32.4 mt -39.43 -45.05 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 120.2 1.363 . . . . 0.0 113.405 170.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.7 -55.45 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.7 -29.86 62.87 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 172.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -72.06 -41.27 67.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.233 0.54 . . . . 0.0 111.639 176.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -69.51 -12.47 61.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.436 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -102.59 -22.28 14.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.554 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.34 26.58 2.63 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.41 1.069 . . . . 0.0 113.593 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.11 -8.71 59.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.25 154.34 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.325 1.059 . . . . 0.0 109.426 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.65 125.33 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.502 -1.226 . . . . 0.0 108.501 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -61.51 -7.69 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 40.7 m -71.33 -14.99 62.38 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 169.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.22 64.11 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.797 -169.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C4'-C3'-C2' 99.447 -3.253 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.884 0 O4'-C1'-N19 111.825 3.625 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.062 1 C4'-C3'-C2' 98.57 -4.13 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.012 0 C4'-C3'-C2' 99.328 -3.372 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C5'-C4'-O4' 113.586 3.133 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 0 C5'-C4'-C3' 109.765 -3.823 . 0.862 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.894 0 C4'-C3'-C2' 99.463 -3.237 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 1 O4'-C1'-N19 112.384 4.184 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.98 1 C4'-C3'-C2' 98.439 -4.261 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.412 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.539 2.243 2 O5'-C5'-C4' 118.093 5.638 . 0.747 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.412 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.539 2.24 0 P-O3'-C3' 123.431 3.11 . 0.104 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.833 0 O5'-C5'-C4' 115.641 3.886 . 0.487 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.214 0 C5'-C4'-C3' 111.008 -2.995 . 0.297 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 2 C4'-C3'-C2' 97.857 -4.843 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.296 1 P-O3'-C3' 126.878 5.982 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 1.602 0 C4'-C3'-C2' 99.113 -3.587 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 2 O4'-C1'-N19 113.351 5.151 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 2 O4'-C1'-N19 112.631 4.431 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 2 O4'-C1'-N19 113.111 4.911 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 1 C4'-C3'-C2' 98.009 -4.691 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 2 O4'-C1'-N19 112.619 4.419 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 98.771 -3.929 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 O4'-C1'-N19 111.675 3.475 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 118.878 -0.582 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.4 148.96 24.51 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 123.947 3.098 . . . . 0.0 113.912 172.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -146.05 -47.75 0.21 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.952 1.301 . . . . 0.0 112.524 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 16.4 m -65.25 0.45 1.4 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.084 1.753 . . . . 0.0 115.194 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.83 -39.55 92.18 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.607 -1.308 . . . . 0.0 112.806 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -68.79 18.51 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 128.64 2.776 . . . . 0.0 114.789 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.73 128.99 29.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 C-N-CA 125.441 1.496 . . . . 0.0 110.333 -169.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.19 -32.39 82.69 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.762 2.308 . . . . 0.0 114.165 -171.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -79.09 -32.61 44.75 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.304 0.241 . . . . 0.0 110.579 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.77 -49.85 35.25 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.41 0.284 . . . . 0.0 110.583 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.08 -38.07 72.79 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.77 -47.54 65.94 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.096 -1.003 . . . . 0.0 112.85 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -98.02 83.02 3.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.501 0.667 . . . . 0.0 112.009 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 28.8 mm -46.29 -40.41 18.14 Favored Pre-proline 0 N--CA 1.486 1.328 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.39 -36.08 68.86 Favored 'Trans proline' 0 C--N 1.353 0.775 0 CA-C-N 122.6 1.964 . . . . 0.0 112.919 174.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 32.3 ttp -77.45 -26.27 51.32 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.06 0.845 . . . . 0.0 111.706 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.6 -50.01 75.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.785 -0.572 . . . . 0.0 110.652 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.1 tp -70.33 -27.15 64.14 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.437 1.095 . . . . 0.0 113.688 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -55.49 -42.26 74.17 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 167.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 47.6 m -66.74 14.88 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 175.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 86.4 mt -139.27 -16.04 1.08 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.854 2.462 . . . . 0.0 112.725 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 61.32 25.67 15.6 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 123.097 1.427 . . . . 0.0 114.343 -173.42 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 49.3 mt -105.48 13.97 29.35 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 111.988 -2.369 . . . . 0.0 108.698 168.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -64.48 11.31 0.05 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -71.19 -36.16 71.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.266 1.031 . . . . 0.0 109.869 171.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -94.75 16.11 16.63 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.151 -1.841 . . . . 0.0 111.15 -170.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -53.49 -38.24 63.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.99 -26.85 43.31 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.854 0.752 . . . . 0.0 112.347 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.08 62.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.271 0.557 . . . . 0.0 111.019 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 49.0 mt -107.07 -13.84 15.08 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.283 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 45.4 t -61.19 -24.08 66.06 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.87 2.88 10.94 Favored Glycine 0 CA--C 1.541 1.66 0 N-CA-C 115.746 1.058 . . . . 0.0 115.746 173.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 76.7 m -137.76 127.87 15.43 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 118.51 1.155 . . . . 0.0 109.817 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.46 158.95 50.29 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.203 1.935 . . . . 0.0 111.241 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.449 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.0 p-90 -60.23 -56.31 23.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 118.971 -0.537 . . . . 0.0 111.068 -172.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.5 tp -34.84 -26.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 172.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -114.77 -33.42 5.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.788 0.435 . . . . 0.0 111.675 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 483' ' ' LEU . 11.7 tp -45.57 -57.91 3.81 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.825 0.703 . . . . 0.0 110.78 174.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 510' ' ' ILE 0.312 42.1 pt -42.12 -35.23 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.136 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.95 2.99 28.13 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 480' ' ' LEU . 1.7 mm? -57.44 168.34 0.82 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 175.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -127.09 166.88 16.79 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.833 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.77 -37.95 86.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.259 -0.276 . . . . 0.0 111.368 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 18.4 m -60.09 -38.77 83.92 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.26 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -51.43 67.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.703 0.683 . . . . 0.0 111.202 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.71 -40.5 72.5 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.01 -11.62 56.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -92.95 -15.65 26.04 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 120.41 12.53 6.17 Favored Glycine 0 N--CA 1.475 1.247 0 CA-C-O 119.886 -0.397 . . . . 0.0 114.041 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.8 64.55 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -28.9 66.33 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -166.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -72.85 142.15 47.98 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.322 0.965 . . . . 0.0 112.199 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.0 -41.35 99.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.345 168.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.16 -68.32 1.75 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.42 -65.06 0.19 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -56.93 -45.71 82.55 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -170.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 46.5 ttm-85 -63.63 -34.09 77.05 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.654 0.661 . . . . 0.0 111.881 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -69.44 -31.6 70.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.915 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.31 -47.73 81.01 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.633 1.106 . . . . 0.0 110.384 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.27 -37.62 78.08 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -64.44 -55.95 17.44 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.186 171.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.2 -48.44 45.28 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.209 0.943 . . . . 0.0 112.037 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.557 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 14.6 m-30 -55.22 -48.25 74.18 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 128.925 2.89 . . . . 0.0 113.533 172.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.54 -29.22 73.97 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 119.987 -1.696 . . . . 0.0 112.026 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.6 mt -71.03 -70.32 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.506 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.3 m -41.67 -56.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 C-N-CA 118.716 -1.193 . . . . 0.0 113.624 176.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.565 HG12 HD12 ' A' ' 481' ' ' ILE . 37.6 mt -38.93 -44.71 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.02 -54.64 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.981 0.801 . . . . 0.0 109.086 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -57.72 -29.31 64.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.35 -41.18 73.49 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 118.322 0.51 . . . . 0.0 111.017 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -76.9 -18.06 58.55 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -85.59 -22.46 28.03 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.563 170.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 14.6 t70 83.87 15.89 0.26 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 125.747 1.904 . . . . 0.0 112.751 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.09 -5.88 46.56 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.25 132.89 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.613 0.72 . . . . 0.0 111.307 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 521' ' ' SER . 10.7 m-20 -70.3 9.42 0.6 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -172.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.257 37.6 mmt-85 51.98 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.348 0.51 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 -168.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 519' ' ' ASP . 34.0 m -93.2 -15.86 25.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.509 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -71.19 -27.72 63.71 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.999 -176.645 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.054 0 C4'-C3'-C2' 99.636 -3.064 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.858 0 C4'-C3'-C2' 98.956 -3.744 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.934 1 C4'-C3'-C2' 98.426 -4.274 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.961 0 C5'-C4'-O4' 114.006 3.433 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.902 0 C4'-C3'-C2' 99.284 -3.416 . 0.9 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.992 0 O4'-C1'-N19 111.886 3.686 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.215 0 C4'-C3'-C2' 99.459 -3.241 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 O4'-C1'-N19 112.055 3.855 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 1 C4'-C3'-C2' 98.224 -4.476 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.4 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.477 2 O5'-C5'-C4' 117.867 5.476 . 0.728 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.4 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.405 -2.166 0 P-O3'-C3' 123.405 3.087 . 0.095 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 1 O5'-C5'-C4' 116.307 4.362 . 0.445 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.07 0 C5'-C4'-C3' 110.57 -3.287 . 0.172 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 C3'-C2'-C1' 96.186 -5.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.426 1 P-O3'-C3' 124.559 4.049 . 0.115 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.808 0 C5'-C4'-O4' 113.864 3.332 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 2 O4'-C1'-N19 112.888 4.688 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 2 C4'-C3'-C2' 98.453 -4.247 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 2 O4'-C1'-N19 112.821 4.621 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 1 C4'-C3'-C2' 98.29 -4.41 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 C4'-C3'-C2' 98.28 -4.42 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 1 C4'-C3'-C2' 98.491 -4.209 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 99.21 -3.49 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.16 -1.4 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.44 6.87 3.31 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 123.204 2.603 . . . . 0.0 115.033 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 445' ' ' LYS . 0.0 OUTLIER 58.62 -82.85 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 128.531 2.732 . . . . 0.0 112.781 -169.875 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 50.8 m -146.42 86.28 1.68 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.707 1.603 . . . . 0.0 110.187 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt -67.19 -29.08 68.66 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.726 -0.609 . . . . 0.0 111.745 170.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . 0.411 HG21 ' CG ' ' A' ' 512' ' ' TYR . 74.2 p -69.17 15.94 0.06 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 131.256 3.822 . . . . 0.0 114.399 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.7 131.64 28.94 Favored Pre-proline 0 N--CA 1.467 0.419 0 C-N-CA 127.057 2.143 . . . . 0.0 109.967 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.6 -25.04 21.31 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.472 1.448 . . . . 0.0 113.474 -169.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -73.78 -41.06 62.95 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.02 -52.07 27.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.577 172.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.88 -40.17 75.7 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.29 -40.91 96.91 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.11 87.05 2.42 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 41.0 mm -46.78 -41.93 30.51 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.11 -38.63 94.55 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.705 2.27 . . . . 0.0 114.988 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 29.7 ttp -81.9 -29.04 32.55 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.757 -0.589 . . . . 0.0 111.174 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -58.13 -47.17 84.12 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.951 -0.468 . . . . 0.0 111.027 166.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 7.6 tp -66.24 -23.47 66.42 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -54.55 -41.1 69.39 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 166.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.2 m -68.44 -14.42 62.99 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.82 -4.1 33.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.973 1.309 . . . . 0.0 112.985 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.292 21.8 mmt180 58.89 38.75 24.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.654 1.216 . . . . 0.0 113.826 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.77 -59.38 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 112.026 -2.352 . . . . 0.0 107.411 167.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 30.13 30.47 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -176.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -118.17 -39.07 3.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.624 0.726 . . . . 0.0 110.316 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -82.66 14.47 3.12 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.756 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 14.6 m -53.77 -31.44 48.66 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.94 -27.29 30.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.943 0.792 . . . . 0.0 112.497 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 122.215 1.007 . . . . 0.0 111.017 174.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 60.8 mt -95.54 -11.59 27.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.062 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 13.1 t -68.37 174.99 3.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.796 0.808 . . . . 0.0 110.925 167.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 67.93 5.39 39.4 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 121.646 -0.659 . . . . 0.0 112.781 -167.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 54.4 m -137.27 117.86 10.67 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -70.27 160.91 47.93 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.329 2.019 . . . . 0.0 110.44 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.429 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 38.4 p-90 -61.65 -55.73 27.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.126 -171.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.6 tp -33.83 -27.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 170.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -113.35 -28.84 7.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 483' ' ' LEU . 12.1 tp -51.36 -54.77 23.15 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.722 0.772 . . . . 0.0 109.441 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.567 HG22 HG21 ' A' ' 509' ' ' VAL 0.324 37.8 pt -43.46 -34.92 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 173.033 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -81.44 4.81 19.68 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 480' ' ' LEU . 2.3 mm? -59.16 168.12 1.51 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 122.492 1.139 . . . . 0.0 112.819 172.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.0 168.25 15.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.535 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -58.3 -43.99 88.32 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.83 -44.39 96.94 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.955 -0.466 . . . . 0.0 111.621 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 27.6 m -66.83 -35.66 80.56 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.357 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -45.73 93.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.253 1.388 . . . . 0.0 110.687 171.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -37.11 62.96 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.611 -0.681 . . . . 0.0 111.613 171.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -84.82 -17.92 36.58 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -72.02 -35.03 69.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.427 0.558 . . . . 0.0 110.517 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 126.58 19.5 2.06 Favored Glycine 0 CA--C 1.535 1.337 0 O-C-N 124.253 0.97 . . . . 0.0 113.292 -169.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.76 63.65 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -176.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -31.95 69.07 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 114.471 -1.24 . . . . 0.0 114.129 -168.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -70.25 142.92 52.27 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.575 0.625 . . . . 0.0 110.538 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.54 -44.8 89.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.987 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -61.03 -64.05 4.4 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.81 -62.9 0.28 Allowed 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.544 0.791 . . . . 0.0 112.965 167.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 32.6 ttp-105 -53.84 -50.3 66.52 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -60.11 -37.43 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 111.947 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -65.16 -32.23 73.81 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.846 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.35 -47.91 69.05 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.758 0.708 . . . . 0.0 110.549 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.36 -38.73 81.16 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.091 0.86 . . . . 0.0 113.103 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -62.71 -56.66 15.57 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.602 172.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.5 43.14 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 124.202 0.939 . . . . 0.0 112.64 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.556 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 17.6 m-30 -54.35 -46.41 72.93 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 128.847 2.859 . . . . 0.0 113.281 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 -30.01 75.87 Favored Glycine 0 CA--C 1.525 0.711 0 O-C-N 119.842 -1.786 . . . . 0.0 112.015 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.77 -70.86 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.573 HG23 ' H ' ' A' ' 510' ' ' ILE . 5.0 m -41.87 -57.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 CA-C-O 117.655 -1.164 . . . . 0.0 113.755 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.573 ' H ' HG23 ' A' ' 509' ' ' VAL . 42.6 mt -39.4 -45.16 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 CA-C-N 120.018 1.281 . . . . 0.0 112.926 170.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.44 -54.96 41.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . 0.411 ' CG ' HG21 ' A' ' 448' ' ' THR . 7.1 m-85 -59.47 -29.84 68.1 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.426 ' HE2' HD11 ' A' ' 478' ' ' ILE . 56.3 tttm -68.94 -42.57 76.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.447 0.567 . . . . 0.0 110.411 176.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.95 -13.27 62.16 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.367 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -97.77 -21.39 16.99 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.329 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.23 20.89 1.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.912 1.383 . . . . 0.0 113.126 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -4.95 46.71 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.35 139.81 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.659 0.742 . . . . 0.0 110.514 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -75.49 148.58 38.89 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 123.037 1.399 . . . . 0.0 110.326 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -67.31 -6.82 20.32 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 49.2 m -98.3 -9.01 26.12 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.7 73.39 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.723 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.546 -178.72 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 0 O4'-C1'-N19 111.369 3.169 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 C4'-C3'-C2' 99.327 -3.373 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.908 0 C5'-C4'-O4' 113.926 3.375 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.819 1 C5'-C4'-C3' 109.336 -4.109 . 0.608 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.922 0 C4'-C3'-C2' 99.445 -3.255 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.135 0 C4'-C3'-C2' 98.93 -3.77 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.834 0 C5'-C4'-O4' 113.377 2.983 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.937 3.737 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.944 1 C4'-C3'-C2' 98.577 -4.123 . 0.869 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.498 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.538 2.137 2 O5'-C5'-C4' 117.886 5.49 . 0.762 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.498 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C3'-C2'-C1' 98.287 -3.57 . 0.144 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O5'-C5'-C4' 115.093 3.495 . 0.562 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.882 0 C5'-C4'-C3' 110.874 -3.084 . 0.392 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.078 0 O4'-C1'-N19 111.77 3.57 OUTLIER-EPSILON 0.174 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.902 1 P-O3'-C3' 128.87 7.642 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.844 0 C4'-C3'-C2' 99.505 -3.195 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 1 O4'-C1'-N19 112.377 4.177 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.835 1 O4'-C1'-N19 112.551 4.351 . 0.725 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.931 1 O4'-C1'-N19 113.512 5.312 . 0.896 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 1 C4'-C3'-C2' 98.122 -4.578 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 1 O4'-C1'-N19 112.705 4.505 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 1 C4'-C3'-C2' 98.587 -4.113 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 O4'-C1'-N19 111.639 3.439 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.39 107.84 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.669 3.579 . . . . 0.0 114.328 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.19 -29.26 70.64 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -170.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 33.0 t -158.63 -56.35 0.07 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 25.6 mt 62.18 -48.94 0.16 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 128.906 2.883 . . . . 0.0 114.392 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 71.9 p -62.74 20.24 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 130.683 3.593 . . . . 0.0 114.947 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.99 128.22 32.82 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 126.915 2.086 . . . . 0.0 109.324 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.76 -23.81 30.37 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 121.812 1.675 . . . . 0.0 113.627 -168.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -48.46 79.81 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.071 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.77 -40.05 78.86 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.28 -49.36 78.12 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.205 -0.934 . . . . 0.0 113.481 171.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.03 101.15 8.5 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.685 1.231 . . . . 0.0 113.848 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.97 -37.3 13.45 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-N 113.086 -1.87 . . . . 0.0 115.515 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -54.06 -38.19 87.0 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.584 2.189 . . . . 0.0 115.042 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 39.5 mtp -76.63 -41.02 47.44 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.259 -0.9 . . . . 0.0 110.753 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -53.02 -48.48 67.53 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.216 0.531 . . . . 0.0 112.231 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.03 -25.04 61.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.855 1.662 . . . . 0.0 113.476 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.14 -48.33 44.84 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 6.5 t -58.74 -16.85 18.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 125.687 1.867 . . . . 0.0 115.524 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 78.7 mt -101.79 -8.26 21.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.318 1.447 . . . . 0.0 113.94 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . 0.255 34.2 mmt180 64.32 14.73 8.95 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -170.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 88.1 mt -99.59 13.98 31.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.178 175.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -62.76 13.17 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -78.87 -33.86 45.46 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.726 0.774 . . . . 0.0 108.913 167.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -91.82 11.29 25.26 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.778 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 57.8 m -51.54 -35.14 39.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.78 -26.15 44.41 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 112.736 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -77.99 -21.34 51.0 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.194 0.521 . . . . 0.0 110.697 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . 0.407 HD23 ' HE3' ' A' ' 491' ' ' LYS . 69.8 mt -110.3 -15.79 13.88 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.904 -175.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 38.6 t -72.18 -12.5 61.2 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -72.62 1.83 34.86 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 114.603 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 4.0 m -138.78 134.09 16.96 Favored Pre-proline 0 N--CA 1.474 0.726 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.52 161.28 44.56 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.443 2.095 . . . . 0.0 111.368 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.443 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 33.1 p-90 -61.94 -56.56 17.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.477 -172.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.443 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.1 tp -34.08 -26.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 171.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -115.34 -27.92 7.06 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.41 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.9 tp -48.94 -55.78 10.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.673 0.749 . . . . 0.0 109.677 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.563 ' HA ' ' CG ' ' A' ' 506' ' ' PHE 0.329 38.1 pt -42.97 -36.31 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 174.007 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.405 ' CD1' HG13 ' A' ' 481' ' ' ILE . 15.0 m-30 -80.12 2.19 25.03 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -178.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.16 169.65 1.52 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 122.493 1.14 . . . . 0.0 112.793 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -130.73 167.37 18.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.673 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.59 -43.6 84.76 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.31 -45.27 76.99 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.929 -0.482 . . . . 0.0 111.885 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 48.3 m -62.04 -40.53 96.08 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.848 -0.532 . . . . 0.0 110.595 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.56 -47.43 86.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.976 0.353 . . . . 0.0 111.174 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -53.0 -41.25 64.45 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 117.973 0.351 . . . . 0.0 111.702 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.15 -11.78 57.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . 0.407 ' HE3' HD23 ' A' ' 472' ' ' LEU . 20.9 ttpt -88.35 -12.34 43.67 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 116.02 16.58 6.7 Favored Glycine 0 N--CA 1.474 1.215 0 O-C-N 123.56 0.537 . . . . 0.0 113.527 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 16.6 t -109.04 64.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.4 -26.78 61.13 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.366 -1.288 . . . . 0.0 114.289 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.67 140.5 44.27 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.555 0.616 . . . . 0.0 111.547 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.72 -44.23 93.81 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.17 168.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -57.28 -66.18 3.03 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -33.72 -67.84 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 O-C-N 124.833 0.961 . . . . 0.0 113.13 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -46.53 -54.85 8.52 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -177.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -59.02 -36.18 74.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.62 -27.9 64.43 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 118.098 -0.954 . . . . 0.0 112.549 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.51 -49.63 68.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.3 0.954 . . . . 0.0 109.596 169.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.11 -37.31 74.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -63.27 -58.89 5.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.789 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.91 50.05 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.161 0.913 . . . . 0.0 112.348 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.563 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 13.7 m-30 -57.57 -49.63 75.76 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 130.258 3.423 . . . . 0.0 113.203 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.81 -29.73 75.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 119.778 -1.826 . . . . 0.0 111.812 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 26.3 mt -70.51 -71.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.51 HG23 ' H ' ' A' ' 510' ' ' ILE . 4.1 m -41.4 -54.97 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.303 177.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.51 ' H ' HG23 ' A' ' 509' ' ' VAL . 41.5 mt -38.93 -47.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-N 119.824 1.193 . . . . 0.0 113.528 170.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.04 -55.29 37.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.985 0.898 . . . . 0.0 109.741 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -58.7 -27.68 65.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.411 ' HE2' HD11 ' A' ' 478' ' ' ILE . 59.3 tttm -68.88 -45.3 71.34 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 122.9 0.48 . . . . 0.0 110.759 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.06 -19.31 61.2 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -88.88 -25.68 22.01 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.161 172.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.53 27.08 3.92 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.586 1.179 . . . . 0.0 113.061 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.09 -7.18 56.64 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.92 157.37 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.071 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.42 139.37 39.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.283 1.039 . . . . 0.0 109.589 174.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.57 -12.54 33.63 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 18.4 m -75.93 -15.96 60.09 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.4 75.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.359 0.981 . . . . 0.0 112.074 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--O 1.252 1.228 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.948 -176.726 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.127 0 C4'-C3'-C2' 99.099 -3.601 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 C4'-C3'-C2' 99.157 -3.543 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.764 0 O4'-C1'-N19 112.128 3.928 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.969 1 C5'-C4'-O4' 115.108 4.22 . 0.629 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C4'-C3'-C2' 99.126 -3.574 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.952 0 O4'-C1'-N19 111.673 3.473 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.755 0 C4'-C3'-C2' 98.817 -3.883 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 1 O4'-C1'-N19 112.264 4.064 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.066 1 C4'-C3'-C2' 98.382 -4.318 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.441 " H1'" ' C6 ' ' B' ' 534' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.538 2.155 2 O5'-C5'-C4' 116.463 4.473 . 0.737 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . 0.441 ' C6 ' " H1'" ' B' ' 533' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.402 -2.367 0 P-O3'-C3' 122.699 2.499 . 0.128 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.461 0 P-O3'-C3' 123.923 3.52 . 0.589 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.202 0 C5'-C4'-C3' 110.091 -3.606 . 0.099 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C3'-C2'-C1' 94.959 -7.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.172 1 O4'-C1'-N19 112.422 4.222 . 0.152 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.918 0 C5'-C4'-O4' 114.011 3.437 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 2 O4'-C1'-N19 113.283 5.083 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 2 C4'-C3'-C2' 98.305 -4.395 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 98.96 -3.74 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.836 0 C5'-C4'-C3' 109.634 -3.911 . 0.854 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 2 O4'-C1'-N19 112.684 4.484 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 1 C4'-C3'-C2' 98.527 -4.173 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 111.525 3.325 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -67.14 160.84 45.55 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.955 2.437 . . . . 0.0 113.235 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -142.97 162.82 34.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 127.207 2.203 . . . . 0.0 109.645 171.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 19.4 m 51.91 26.36 3.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.761 1.224 . . . . 0.0 114.225 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.13 -38.15 90.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.393 -1.442 . . . . 0.0 110.609 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 68.4 p -71.06 15.88 0.1 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.443 3.497 . . . . 0.0 115.334 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.81 134.3 23.27 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 126.175 1.79 . . . . 0.0 110.241 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.65 -24.83 25.15 Favored 'Trans proline' 0 C--N 1.345 0.373 0 CA-C-N 121.345 1.516 . . . . 0.0 113.347 -169.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -75.65 -40.77 55.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.19 -49.87 52.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.974 170.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.21 -38.98 81.23 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.205 0.457 . . . . 0.0 111.991 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -73.17 -26.33 61.14 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 171.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -118.39 83.05 1.95 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.505 0.669 . . . . 0.0 111.687 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 20.2 mm -49.04 -41.68 55.63 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -172.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.36 -37.1 88.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.653 2.235 . . . . 0.0 114.035 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 27.5 ttp -81.33 -30.63 33.79 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.837 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -57.06 -50.26 73.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.509 0.671 . . . . 0.0 111.387 168.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 11.0 tp -62.95 -27.96 69.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.666 1.186 . . . . 0.0 112.364 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 466' ' ' HIS . 0.9 OUTLIER -56.95 -7.08 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.462 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 49.4 m -99.26 5.62 46.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.85 -13.42 6.37 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -174.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . 0.483 ' HA ' ' NE2' ' A' ' 466' ' ' HIS 0.372 46.1 mmt-85 64.97 30.4 11.87 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 123.325 1.536 . . . . 0.0 114.029 -171.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 56.8 mt -116.57 11.54 14.79 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 111.364 -2.653 . . . . 0.0 110.632 173.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 0.606 ' CD2' ' HA ' ' A' ' 461' ' ' LYS . 2.6 p80 -69.3 20.39 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -177.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -91.7 -26.82 18.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.023 168.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -89.93 10.65 23.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.938 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 53.9 m -50.85 -35.6 33.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.25 -27.77 47.66 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.542 1.064 . . . . 0.0 112.57 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -72.96 -27.64 61.95 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.395 0.617 . . . . 0.0 110.55 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 59.6 mt -104.1 -16.75 15.17 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.126 -174.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 43.7 t -66.43 -19.35 65.77 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -69.84 0.08 23.23 Favored Glycine 0 CA--C 1.542 1.729 0 N-CA-C 115.756 1.063 . . . . 0.0 115.756 174.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 55.1 m -137.11 133.0 18.3 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 117.954 0.877 . . . . 0.0 109.376 -177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.34 160.23 49.38 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.985 1.79 . . . . 0.0 111.185 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 31.9 p-90 -60.35 -57.64 11.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.952 -0.547 . . . . 0.0 110.62 -171.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 3.7 tp -34.39 -26.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 171.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -114.33 -30.82 6.47 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 10.2 tp -47.93 -56.66 7.08 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.78 0.8 . . . . 0.0 109.817 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.542 HD12 HG12 ' A' ' 510' ' ' ILE 0.322 38.5 pt -43.07 -35.7 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 174.269 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.416 ' CD1' HG13 ' A' ' 481' ' ' ILE . 15.9 m-30 -80.13 0.49 31.97 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -178.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.34 170.72 0.91 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.255 1.026 . . . . 0.0 113.646 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -128.03 165.59 20.02 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.356 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -57.71 -41.4 81.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.6 -41.67 79.27 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.777 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 8.8 m -62.68 -39.39 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.436 -0.79 . . . . 0.0 110.954 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 499' ' ' ARG . 4.2 mp -54.69 -54.77 37.38 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.413 173.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.48 -29.86 70.9 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 121.193 1.815 . . . . 0.0 113.284 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -73.76 -16.93 61.15 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -88.83 -13.76 38.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 115.99 14.39 7.89 Favored Glycine 0 N--CA 1.476 1.351 0 O-C-N 123.662 0.601 . . . . 0.0 113.966 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 17.7 t -107.2 65.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 122.519 1.152 . . . . 0.0 108.156 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -38.6 77.24 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.612 -1.176 . . . . 0.0 113.174 -168.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.9 134.23 49.31 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 4.5 tp -59.42 -41.54 89.77 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -58.31 -67.3 2.27 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.54 -62.32 0.35 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 166.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . 0.459 ' HA ' HD23 ' A' ' 488' ' ' LEU . 8.5 ttm180 -49.98 -58.71 4.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -59.51 -33.56 71.5 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.743 0.702 . . . . 0.0 111.921 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.85 -32.66 71.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.65 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.05 -49.64 75.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.364 0.984 . . . . 0.0 110.28 168.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.55 -34.83 74.71 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.866 0.841 . . . . 0.0 112.964 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.25 -58.83 6.27 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.148 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -48.09 -45.69 32.92 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.029 0.831 . . . . 0.0 112.223 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.538 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.3 m-30 -58.35 -46.67 85.83 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 129.889 3.276 . . . . 0.0 113.208 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.26 74.85 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 119.803 -1.81 . . . . 0.0 111.896 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 12.8 mt -69.75 -71.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.528 HG23 ' H ' ' A' ' 510' ' ' ILE . 3.8 m -41.36 -56.83 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.676 177.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.542 HG12 HD12 ' A' ' 481' ' ' ILE . 36.7 mt -39.29 -45.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-N 119.694 1.133 . . . . 0.0 113.301 170.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.57 -54.64 44.77 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.6 -29.47 68.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 174.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -67.36 -44.58 78.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.648 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.19 -10.76 60.3 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.409 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -103.72 -21.38 13.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.453 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 26.3 t70 71.73 25.34 3.25 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.308 1.005 . . . . 0.0 113.193 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.57 -6.7 56.26 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 45.1 mt -79.93 157.06 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 122.553 1.168 . . . . 0.0 109.677 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -75.69 140.89 42.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.82 1.295 . . . . 0.0 110.468 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' A' ' 523' ' ' TYR 0.263 15.7 tpt85 -50.95 -28.46 9.85 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 112.51 -2.132 . . . . 0.0 113.266 170.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 22.2 m -72.78 -14.64 61.57 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.88 60.67 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.691 1.132 . . . . 0.0 111.513 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 520' ' ' ARG . 13.1 m-30 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.98 -173.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 99.436 -3.264 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 0 C4'-C3'-C2' 99.268 -3.432 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.065 0 C5'-C4'-O4' 114.118 3.513 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.088 1 C5'-C4'-C3' 108.563 -4.624 . 0.517 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C4'-C3'-C2' 100.008 -2.692 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.881 0 C5'-C4'-C3' 109.867 -3.756 . 0.829 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 0 O4'-C1'-N19 111.204 3.004 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O4'-C1'-N19 111.669 3.469 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.153 1 C4'-C3'-C2' 98.312 -4.388 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 2 O5'-C5'-C4' 117.988 5.563 . 0.739 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.472 0 P-O3'-C3' 123.867 3.472 . 0.088 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.664 1 O5'-C5'-C4' 116.71 4.65 . 0.422 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 0 C5'-C4'-C3' 110.378 -3.415 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 1 C3'-C2'-C1' 96.225 -5.861 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.51 0 O4'-C1'-N19 111.747 3.547 . 0.04 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.859 0 C5'-C4'-O4' 113.961 3.4 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 2 O4'-C1'-N19 113.24 5.04 . 0.849 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.025 2 C4'-C3'-C2' 98.327 -4.373 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.995 2 O4'-C1'-N19 113.021 4.821 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.013 1 C4'-C3'-C2' 98.418 -4.282 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 2 O4'-C1'-N19 112.341 4.141 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.985 1 C4'-C3'-C2' 98.696 -4.004 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 O4'-C1'-N19 111.66 3.46 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -55.1 -14.89 9.42 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 124.569 3.513 . . . . 0.0 117.314 175.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm 58.22 -80.05 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 129.092 2.957 . . . . 0.0 113.627 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 55.4 p -148.39 88.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.143 1.777 . . . . 0.0 110.446 -174.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.36 -24.34 67.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.296 1.038 . . . . 0.0 111.997 169.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 16.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 1 C-N-CA 133.41 4.684 . . . . 0.0 114.277 -174.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.25 121.32 63.99 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 126.446 1.899 . . . . 0.0 109.129 -171.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.44 -22.52 38.94 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.161 1.907 . . . . 0.0 112.908 -169.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -71.47 -53.43 13.98 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.5 mp -60.26 -47.25 86.79 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.663 175.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.26 -41.49 88.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -59.01 -50.55 73.68 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.43 -0.794 . . . . 0.0 112.833 170.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.25 98.35 7.06 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.952 1.358 . . . . 0.0 113.54 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 22.1 mm -45.43 -39.41 10.01 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.273 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.95 -44.73 26.84 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.695 2.264 . . . . 0.0 115.577 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 26.6 mtp -80.25 -31.7 38.43 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.838 0.745 . . . . 0.0 111.027 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -52.12 -49.86 62.83 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.51 -0.744 . . . . 0.0 112.531 170.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.01 -28.33 65.41 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 173.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -53.34 -46.96 69.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.137 1.335 . . . . 0.0 112.98 173.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 50.9 m -65.15 -2.3 2.8 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.5 mt -120.44 -2.88 9.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.245 1.818 . . . . 0.0 114.293 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 62.19 13.26 5.7 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -169.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 92.1 mt -95.87 10.63 36.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.411 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -66.83 13.78 0.05 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -171.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -88.84 -28.44 20.4 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 171.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -99.7 6.44 45.57 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.024 -175.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 56.3 m -49.73 -36.12 24.48 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.52 -31.47 47.58 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -69.57 -17.87 63.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.121 174.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 46.4 mt -112.54 -13.27 13.35 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.762 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 23.2 t -67.76 -21.0 65.29 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -68.21 -0.57 16.33 Favored Glycine 0 CA--C 1.54 1.653 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.789 170.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.4 m -134.37 128.83 19.44 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 117.854 0.827 . . . . 0.0 109.506 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.14 161.53 44.37 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.269 1.98 . . . . 0.0 111.231 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 478' ' ' ILE . 32.2 p-90 -61.05 -56.94 15.08 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.481 -171.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 477' ' ' TRP . 4.6 tp -34.36 -27.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 171.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -109.4 -34.55 6.5 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.993 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 506' ' ' PHE . 12.8 tp -46.16 -57.61 4.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 124.132 0.895 . . . . 0.0 110.49 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.701 HG22 HG21 ' A' ' 509' ' ' VAL 0.332 37.3 pt -42.66 -35.7 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 175.184 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -81.43 2.03 30.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -59.28 167.94 1.64 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.418 1.104 . . . . 0.0 113.229 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -127.78 164.77 21.44 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.027 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -58.74 -38.79 79.18 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.21 -41.8 76.61 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 23.6 m -62.73 -39.76 95.07 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 120.973 -1.08 . . . . 0.0 110.731 173.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -55.31 29.39 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.025 174.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -65.01 -28.1 69.27 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 121.456 1.935 . . . . 0.0 114.051 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.42 -11.57 59.91 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.945 -1.097 . . . . 0.0 113.658 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.01 -12.76 21.57 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . 119.79 11.5 7.07 Favored Glycine 0 N--CA 1.477 1.4 0 O-C-N 123.282 0.364 . . . . 0.0 113.919 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.13 62.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.683 1.23 . . . . 0.0 108.388 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -32.97 74.73 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -168.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.67 144.18 56.53 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.451 0.643 . . . . 0.0 111.122 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -35.1 76.64 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.62 -0.675 . . . . 0.0 111.05 169.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . -62.44 -63.61 4.54 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -34.7 -68.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.946 1.027 . . . . 0.0 113.578 168.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -55.87 -45.29 78.56 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.993 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.23 -34.17 75.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.988 0.813 . . . . 0.0 112.117 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.74 -34.93 77.81 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.927 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.62 -51.69 64.15 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.658 0.663 . . . . 0.0 110.021 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -36.49 73.83 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt -63.96 -56.65 13.6 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.35 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -52.23 -45.5 65.32 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 122.426 1.107 . . . . 0.0 112.351 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.569 ' CG ' ' HA ' ' A' ' 481' ' ' ILE . 12.2 m-30 -54.69 -37.66 66.08 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 128.356 2.662 . . . . 0.0 112.608 169.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.23 -32.31 75.99 Favored Glycine 0 CA--C 1.524 0.605 0 O-C-N 119.753 -1.842 . . . . 0.0 112.549 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 2.3 mp -63.31 -72.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 119.709 1.754 . . . . 0.0 109.201 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.701 HG21 HG22 ' A' ' 481' ' ' ILE . 4.2 m -41.54 -60.19 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-O 118.013 -0.994 . . . . 0.0 113.369 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . 0.653 ' H ' HG23 ' A' ' 509' ' ' VAL . 27.6 mt -38.55 -46.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 171.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.46 -56.85 16.45 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.18 -28.69 65.01 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.418 ' HE2' HD11 ' A' ' 478' ' ' ILE . 57.5 tttm -70.11 -42.74 72.24 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 122.647 0.379 . . . . 0.0 110.273 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.46 -21.76 59.44 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -83.73 -22.18 32.06 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.889 171.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 29.2 t70 73.96 22.88 2.32 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 124.925 1.391 . . . . 0.0 113.058 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -3.95 45.23 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 7.0 mm -57.25 143.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.716 0.77 . . . . 0.0 109.939 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 521' ' ' SER . 12.8 m-20 -69.0 3.29 2.11 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 177.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . 0.294 14.5 mmt180 47.29 7.64 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 118.831 2.9 . . . . 0.0 118.831 -167.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 519' ' ' ASP . 66.8 m -104.73 -12.52 16.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.633 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -67.32 -27.43 67.15 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 172.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--O 1.255 1.375 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -175.202 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 524' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.225 -3.475 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 525' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.877 0 C4'-C3'-C2' 98.808 -3.892 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 526' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.851 1 C4'-C3'-C2' 98.414 -4.286 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 527' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.975 0 C5'-C4'-O4' 114.306 3.647 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 528' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C5'-C4'-O4' 113.136 2.811 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 529' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 C5'-C4'-C3' 110.148 -3.568 . 0.85 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 530' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 0 C4'-C3'-C2' 99.58 -3.12 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 531' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 112.113 3.913 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 532' ' ' ' U' . . . . . 0.46 " H2'" ' C6 ' ' B' ' 533' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.917 2 O4'-C1'-N19 112.627 4.427 . 0.864 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 533' ' ' ' C' . . . . . 0.46 ' C6 ' " H2'" ' B' ' 532' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.223 2 O5'-C5'-C4' 117.646 5.319 . 0.582 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 534' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C3'-C2'-C1' 99.409 -2.324 . 0.054 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 535' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.454 0 C5'-C4'-C3' 111.634 -2.577 . 0.35 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 536' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 C5'-C4'-C3' 109.96 -3.693 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 537' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 2 C3'-C2'-C1' 94.856 -7.382 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 538' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 1 O4'-C1'-N19 112.81 4.61 . 0.115 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 539' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.839 0 C5'-C4'-O4' 113.905 3.361 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 540' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 2 O4'-C1'-N19 113.143 4.943 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 541' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 2 C4'-C3'-C2' 98.413 -4.287 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 542' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 O4'-C1'-N19 112.08 3.88 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 543' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.825 0 C5'-C4'-C3' 109.625 -3.917 . 0.945 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 544' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 1 C4'-C3'-C2' 98.65 -4.05 . 0.891 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 545' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 1 C4'-C3'-C2' 98.537 -4.163 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 546' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.828 3.628 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_