data_4a24_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 4a24 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 502' ' ' GLN . . . . . 0.464 ' HG3' ' HB2' ' A' ' 511' ' ' ALA . 2.7 pt20 . . . . . 0 C--O 1.226 -0.138 0 CA-C-O 120.612 0.244 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.2 p -128.88 127.31 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.356 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.662 ' N ' ' HB1' ' A' ' 511' ' ' ALA . 48.2 t -62.3 125.53 24.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.17 -16.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.857 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -103.77 -23.57 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.253 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 53.2 m -122.47 -87.32 0.64 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.129 0.49 . . . . 0.0 112.125 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -177.4 -162.11 27.07 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.717 -174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -53.46 -9.86 0.21 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -64.27 -3.78 3.15 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.662 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -46.17 139.96 4.26 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' MET . . . . . 0.425 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 50.0 ttm -148.26 -24.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.488 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.8 m -123.79 142.76 50.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.25 0.548 . . . . 0.0 111.252 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -106.77 164.17 12.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.763 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.545 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.9 t -77.13 125.62 29.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.346 0.593 . . . . 0.0 110.305 174.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 2.9 t -77.94 122.09 25.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 167.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.06 -52.65 0.82 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.57 146.51 44.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -109.11 21.12 17.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.535 ' HG3' HG11 ' A' ' 521' ' ' VAL . 20.1 ptmt -87.37 -23.47 24.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.906 -174.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.535 HG11 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -125.3 157.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 118.0 0.364 . . . . 0.0 110.381 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 147.2 51.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.368 0.604 . . . . 0.0 111.265 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.628 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 83.2 m-85 -125.84 -172.75 2.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 21.3 p -110.97 -34.47 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.411 0.624 . . . . 0.0 109.48 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.7 p -146.43 172.57 13.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.264 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 24.4 m -68.15 -25.63 65.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -60.23 -49.52 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.597 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 95.2 m -66.22 -35.68 81.07 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.464 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.545 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.1 tp60 -59.14 -48.59 81.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.061 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.89 -36.46 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.897 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.62 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -68.53 -36.88 79.46 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.634 -178.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . 0.62 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 30.3 t70 -72.17 -13.3 61.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.509 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 55.8 t-105 -59.44 -26.51 65.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.13 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -62.84 -35.78 81.07 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.427 -0.171 . . . . 0.0 110.6 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 34.8 t70 -93.25 -39.33 11.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.587 1.185 . . . . 0.0 109.53 171.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 57.7 t60 -66.01 -32.12 73.41 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.312 -169.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -61.5 -33.55 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.753 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 16.6 p80 -80.38 -20.37 44.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.049 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.517 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -92.73 -47.42 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.871 178.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.517 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.2 t -56.04 120.53 7.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.556 0.693 . . . . 0.0 110.651 -177.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.591 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.856 -176.551 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 16.0 m -126.15 128.07 46.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.938 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.711 ' N ' ' HB1' ' A' ' 511' ' ' ALA . 33.2 t -61.15 123.42 17.64 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.7 -19.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.207 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 10.5 t30 -95.57 -39.76 9.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.909 -178.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.1 p -121.29 -73.6 0.64 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 119.337 -0.945 . . . . 0.0 112.558 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -167.63 -168.73 30.2 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.839 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 511' ' ' ALA . 13.6 ptt180 -52.57 -9.24 0.11 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.193 1.182 . . . . 0.0 114.193 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.4 -2.69 0.52 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.784 0.434 . . . . 0.0 111.975 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.711 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -46.05 153.19 0.33 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.8 ttt -168.11 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.675 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.0 m -123.11 140.35 53.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.638 0.256 . . . . 0.0 110.384 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -100.87 163.59 12.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.819 0.343 . . . . 0.0 110.721 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.522 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.33 124.9 27.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.497 172.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.6 t -78.24 119.8 22.12 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 166.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.8 -50.1 0.9 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 13.2 p -144.7 145.76 31.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -108.33 24.94 12.27 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.581 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 5.7 ptpp? -85.96 -18.72 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.68 157.3 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.47 154.09 42.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.395 0.616 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.429 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 87.4 m-85 -126.41 -171.93 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.563 -1.199 . . . . 0.0 108.453 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 27.7 p -108.52 -44.3 4.11 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.76 0.791 . . . . 0.0 109.213 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 12.8 t -143.38 172.43 12.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.613 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.7 m -62.46 -28.03 69.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.25 -51.24 70.4 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.48 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 57.1 m -64.47 -35.75 81.95 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.137 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.522 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.1 -48.59 81.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.378 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -73.07 -31.89 64.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.239 0.542 . . . . 0.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -70.15 -43.42 70.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.413 0.625 . . . . 0.0 110.93 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -77.77 -11.51 59.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.026 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 76.6 t-105 -59.39 -27.2 65.78 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.341 -173.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.409 ' HA ' HE21 ' A' ' 537' ' ' GLN . 75.9 mttt -69.41 -30.02 67.88 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.678 -174.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.49 ' O ' HG21 ' A' ' 539' ' ' ILE . 0.4 OUTLIER -93.95 -37.52 11.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.493 1.139 . . . . 0.0 109.676 170.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.2 t60 -65.71 -33.08 75.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.391 -173.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . 0.409 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.2 pt20 -62.27 -30.08 70.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -83.81 -22.61 31.73 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.153 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.518 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -90.38 -46.24 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.518 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.5 t -53.77 120.94 6.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.342 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.59 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.491 -176.758 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.484 ' HG2' ' HB2' ' A' ' 511' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.828 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 6.4 m -109.28 131.12 55.37 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.952 -176.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.576 ' N ' ' HB1' ' A' ' 511' ' ' ALA . 42.7 t -61.11 120.92 11.23 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.45 -16.89 18.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.219 -174.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.544 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 18.5 t30 -98.59 -37.62 9.46 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 508' ' ' GLY . 17.4 p -123.53 -75.1 0.6 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 119.144 -1.022 . . . . 0.0 113.136 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 507' ' ' CYS . . . -160.25 178.05 36.45 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.579 -174.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.828 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 3.0 ptm180 -54.59 -7.69 0.18 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -178.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -58.65 -0.93 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.248 0.619 . . . . 0.0 112.232 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.576 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -46.54 152.56 0.45 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.5 tpt -160.03 -28.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.348 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 144.4 49.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.712 0.291 . . . . 0.0 110.476 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -101.65 155.07 18.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 110.491 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.532 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.1 t -71.61 125.86 28.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.687 173.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 27.4 m -75.9 120.01 20.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 133.5 -46.87 1.03 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.363 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.23 165.51 23.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -129.99 26.97 5.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.968 173.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.521 ' HG3' HG11 ' A' ' 521' ' ' VAL . 18.7 ptmt -89.49 -26.5 20.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.521 HG11 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -130.12 159.0 42.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.693 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 156.91 39.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.427 0.632 . . . . 0.0 111.167 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 82.1 m-85 -127.1 -171.86 2.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.749 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.9 p -112.29 -39.55 4.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.6 p -144.47 171.7 13.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.389 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 33.1 m -70.41 -23.94 62.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.979 0.419 . . . . 0.0 110.483 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.644 ' HE1' ' CE2' ' A' ' 527' ' ' PHE . 57.3 t80 -60.38 -50.11 74.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 66.8 m -65.62 -35.7 81.56 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.384 -0.526 . . . . 0.0 109.679 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.532 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.3 tp60 -57.48 -48.84 78.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.69 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -73.87 -30.68 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.314 0.578 . . . . 0.0 110.385 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.425 ' HD2' ' OD1' ' A' ' 506' ' ' ASN . 13.9 tmtt? -70.45 -42.8 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.416 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.66 -11.69 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.186 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -59.75 -26.22 65.5 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.692 -172.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -68.51 -32.19 71.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.215 -0.303 . . . . 0.0 111.233 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 25.5 t70 -92.78 -38.62 11.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.541 1.162 . . . . 0.0 109.606 170.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -67.97 -32.34 72.68 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.48 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -59.23 -38.09 79.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.6 p80 -77.28 -18.93 57.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.627 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.508 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.84 -44.91 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.667 177.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.508 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.2 t -55.22 121.82 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.085 0.945 . . . . 0.0 111.336 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.77 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.488 -177.02 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.029 0.442 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 68.3 m -130.56 137.66 49.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.328 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.882 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.2 t -60.4 124.28 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.33 -16.49 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.684 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -97.37 -32.19 12.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 5.0 m -122.44 -83.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.712 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.428 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.69 -156.29 17.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.624 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -52.23 -8.14 0.07 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.82 -2.22 8.99 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.142 -0.349 . . . . 0.0 111.55 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.605 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -47.96 148.2 1.77 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.438 0.637 . . . . 0.0 112.706 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.7 ptp -163.29 -24.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.555 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 26.3 m -123.7 151.05 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.408 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.02 163.51 14.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.557 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.7 t -79.54 124.81 28.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.126 175.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.2 m -77.39 122.21 24.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.28 -35.88 2.35 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.28 159.34 42.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -120.27 33.21 5.68 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.55 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.58 ' HG3' HG12 ' A' ' 521' ' ' VAL . 16.6 ptmt -106.97 -26.59 11.12 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.58 HG12 ' HG3' ' A' ' 520' ' ' LYS . 30.5 m -118.91 157.5 20.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.314 -0.866 . . . . 0.0 110.858 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.71 145.07 51.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.658 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 95.1 m-85 -127.26 -176.96 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.727 -178.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.882 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 3.6 p -121.65 -4.55 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.303 0.573 . . . . 0.0 109.811 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 46.9 t -164.97 160.53 19.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 27.3 m -69.36 -25.8 64.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.05 0.453 . . . . 0.0 110.011 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.91 -49.47 76.06 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.639 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -61.93 -35.6 78.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.063 0.459 . . . . 0.0 109.85 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.557 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.2 OUTLIER -59.42 -48.83 80.13 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.351 177.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -72.67 -30.79 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.699 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.492 ' HD3' ' C ' ' A' ' 531' ' ' LYS . 1.2 tmtp? -69.93 -44.31 69.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -74.7 -10.75 59.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.123 0.487 . . . . 0.0 111.02 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -59.34 -25.21 64.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.497 -173.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -65.92 -40.3 91.33 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 122.249 -0.282 . . . . 0.0 110.707 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.494 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 3.8 t70 -92.0 -36.91 13.13 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 122.716 1.246 . . . . 0.0 109.636 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.418 ' CE1' HG22 ' A' ' 521' ' ' VAL . 76.3 t60 -68.1 -32.07 72.12 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.577 -170.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -58.66 -38.68 78.68 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.678 -0.409 . . . . 0.0 112.085 -175.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.3 p80 -76.61 -18.13 58.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.738 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.5 OUTLIER -93.39 -44.69 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.419 177.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.463 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.5 t -53.21 122.19 9.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.759 0.79 . . . . 0.0 111.576 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 CA-C-N 114.198 -1.364 . . . . 0.0 111.307 -177.856 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.748 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 18.2 m -128.6 132.95 48.2 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.813 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.1 t -59.9 123.9 18.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.21 -16.63 14.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.76 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.97 -30.61 10.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.549 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.23 -82.49 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.53 -174.53 37.97 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.006 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.748 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 17.2 ptp180 -55.22 -8.44 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.22 -1.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.58 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -46.67 132.49 11.0 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' MET . . . . . 0.439 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 21.0 mmt -130.44 -27.1 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.875 -178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 24.8 t -123.9 156.3 36.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.2 0.524 . . . . 0.0 111.117 -170.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.22 163.94 15.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.52 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.558 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -78.41 127.58 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.384 0.611 . . . . 0.0 110.195 176.648 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 6.0 t -79.67 121.64 25.56 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 165.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.12 -52.52 0.83 Allowed Glycine 0 CA--C 1.501 -0.796 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -170.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.446 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 14.4 p -140.5 143.57 35.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 169.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -105.99 29.06 7.02 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.75 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.524 ' HG3' HG11 ' A' ' 521' ' ' VAL . 18.4 ptmt -95.28 -19.83 19.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 520' ' ' LYS . 27.6 m -120.91 159.52 22.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.891 -0.505 . . . . 0.0 110.657 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.74 143.52 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.06 178.59 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.577 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.813 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.9 p -118.27 -18.75 9.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.09 0.471 . . . . 0.0 110.175 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.9 m -148.85 161.3 42.11 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.8 m -67.19 -26.65 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.27 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.938 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.09 -35.78 81.88 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.558 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.8 tp60 -59.33 -48.48 81.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -73.62 -31.67 63.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.272 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 531' ' ' LYS . 14.4 tmtt? -71.85 -42.85 66.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.643 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.91 -14.49 62.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.425 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 65.8 t-105 -57.64 -26.64 61.9 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.65 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -62.3 -36.31 81.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 33.8 t70 -93.68 -39.24 10.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.701 1.239 . . . . 0.0 109.734 169.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.546 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 67.3 t60 -64.98 -32.29 73.94 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.509 -168.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -59.91 -35.66 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.651 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.493 ' CE1' HG23 ' A' ' 539' ' ' ILE . 15.8 p80 -78.47 -22.29 47.75 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.952 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.493 HG23 ' CE1' ' A' ' 538' ' ' HIS . 0.5 OUTLIER -90.74 -46.5 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.849 179.023 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.48 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.9 t -53.44 121.27 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.754 0.788 . . . . 0.0 111.394 -175.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.597 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.338 -175.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.447 ' HG2' ' HB2' ' A' ' 511' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.658 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 34.8 m -129.29 133.76 47.62 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.849 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.29 124.17 19.47 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.54 -18.07 19.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.421 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.28 -33.05 10.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.506 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -121.56 -83.85 0.66 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.085 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -165.87 -176.19 37.01 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.481 -174.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.658 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 39.5 mtp180 -54.21 -10.07 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.57 -0.91 0.47 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.598 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -44.96 113.83 0.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' MET . . . . . 0.447 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 53.8 ttp -121.99 -20.09 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.047 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 16.7 m -123.12 146.41 47.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.436 0.636 . . . . 0.0 111.752 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -112.53 165.8 11.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.388 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.02 124.99 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.418 0.628 . . . . 0.0 110.248 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 14.6 m -78.68 120.54 23.5 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 167.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.35 -49.1 0.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.391 -0.909 . . . . 0.0 111.465 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.6 p -141.66 150.22 41.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -119.71 31.37 6.59 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.055 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.504 ' HG3' HG11 ' A' ' 521' ' ' VAL . 17.6 ptpt -87.28 -30.11 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.504 HG11 ' HG3' ' A' ' 520' ' ' LYS . 33.4 m -121.87 158.7 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.3 149.15 52.12 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.505 0.669 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' A' ' 529' ' ' GLN . 89.3 m-85 -123.68 -172.13 2.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.826 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.849 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 12.0 p -121.18 -17.41 7.73 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.056 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 72.1 m -154.13 163.92 39.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 39.6 m -67.8 -24.93 65.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.705 0.288 . . . . 0.0 110.847 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.623 ' HD2' ' CD1' ' A' ' 527' ' ' PHE . 75.3 t80 -61.47 -49.46 76.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.266 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.57 78.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.215 0.531 . . . . 0.0 109.899 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.426 ' HA ' ' CE1' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -63.85 -49.07 74.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.698 -179.785 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.81 -29.73 64.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.064 0.459 . . . . 0.0 111.039 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -71.15 -42.17 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.24 0.543 . . . . 0.0 110.044 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.32 -13.14 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.578 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 68.8 t-105 -59.79 -26.44 65.73 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.609 -172.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.415 ' HA ' HE21 ' A' ' 537' ' ' GLN . 99.1 mttt -63.61 -35.35 80.21 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.103 -0.373 . . . . 0.0 111.096 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.462 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 26.1 t70 -93.0 -37.0 12.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.433 1.111 . . . . 0.0 109.603 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.578 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.3 t60 -67.87 -32.64 73.29 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.395 -170.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.3 pt20 -59.8 -35.33 74.46 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 17.4 p80 -81.47 -20.74 39.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.436 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.9 OUTLIER -92.02 -44.05 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.165 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.468 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.9 t -54.05 122.07 9.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.586 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.979 -179.356 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.498 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 8.2 pt20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.2 m -120.26 125.94 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.755 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 37.9 t -61.38 124.5 20.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.684 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.87 -20.31 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.404 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -93.46 -42.21 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.755 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 p -120.7 -70.84 0.76 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 119.126 -1.03 . . . . 0.0 112.023 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -178.46 -156.17 16.23 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.444 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -7.87 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.83 -4.62 4.6 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.005 0.366 . . . . 0.0 111.847 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.755 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -51.06 148.38 4.44 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 56.8 ttp -166.9 -27.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.179 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.1 m -122.56 155.57 36.0 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.558 0.218 . . . . 0.0 110.607 -173.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -120.97 155.56 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.566 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.52 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -70.77 127.54 33.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.546 0.688 . . . . 0.0 110.362 177.107 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 m -77.5 120.42 22.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 165.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.42 -53.53 0.8 Allowed Glycine 0 C--N 1.31 -0.899 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.512 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 12.7 p -138.84 144.32 39.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -114.64 37.92 3.27 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.36 0.6 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.513 ' HG3' HG11 ' A' ' 521' ' ' VAL . 6.4 ptpp? -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.346 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.513 HG11 ' HG3' ' A' ' 520' ' ' LYS . 30.9 m -127.76 160.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -177.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.6 153.33 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.459 0.647 . . . . 0.0 110.688 177.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.426 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 92.6 m-85 -124.89 -171.6 2.39 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.372 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.0 p -107.44 -44.42 4.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.854 0.835 . . . . 0.0 109.224 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 47.9 t -145.89 168.14 21.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.506 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 12.9 m -60.93 -24.33 65.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.282 . . . . 0.0 111.402 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.57 -50.54 73.49 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.258 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.0 -35.32 80.26 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.406 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.52 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.9 tp60 -58.99 -48.47 81.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.185 0.517 . . . . 0.0 110.002 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -73.47 -31.17 63.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.151 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -73.69 -42.9 60.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.02 -14.79 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -58.79 -27.27 64.86 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.637 -176.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -63.85 -33.24 75.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.949 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.464 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 14.9 t70 -94.0 -40.59 10.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.622 1.201 . . . . 0.0 109.438 170.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.546 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.8 t60 -64.53 -32.02 73.48 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.138 -168.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -60.95 -33.24 72.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.796 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 13.5 p80 -80.83 -21.0 41.18 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.738 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.506 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.95 -47.34 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.891 178.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.506 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.8 t -54.71 120.67 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.564 0.697 . . . . 0.0 110.689 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.582 -175.878 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.593 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 41.7 m -117.72 131.3 56.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.68 ' N ' ' HB1' ' A' ' 511' ' ' ALA . 45.5 t -60.56 123.38 17.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 14.4 p -65.32 -20.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.837 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 12.5 t30 -96.58 -34.85 11.28 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.736 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.5 p -127.12 -75.08 0.58 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.95 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -163.1 -175.85 34.54 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 119.542 -1.313 . . . . 0.0 114.288 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.593 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 96.3 mtt180 -53.8 -9.97 0.27 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -61.87 0.62 0.35 Allowed 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 122.669 0.388 . . . . 0.0 111.886 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.68 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -46.49 163.79 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.5 ttt -178.44 -28.21 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.064 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 10.7 t -119.87 155.09 33.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.011 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -124.87 162.77 23.64 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -172.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 126.05 29.31 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.442 0.639 . . . . 0.0 109.996 174.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.2 m -79.58 121.0 24.7 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 166.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.9 -50.75 0.88 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.583 ' HB2' ' HZ1' ' A' ' 520' ' ' LYS . 10.1 p -142.5 144.72 33.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 170.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -114.77 37.9 3.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.605 0.716 . . . . 0.0 109.912 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.583 ' HZ1' ' HB2' ' A' ' 518' ' ' CYS . 4.7 ptpp? -94.3 -21.36 19.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.486 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' A' ' 520' ' ' LYS . 29.5 m -120.79 160.01 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 110.666 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.78 145.8 51.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.533 0.682 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.642 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 85.1 m-85 -126.2 -169.14 1.96 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.566 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 31.9 p -112.63 -41.62 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.395 0.616 . . . . 0.0 109.477 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.0 p -139.14 172.11 13.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.897 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 26.6 m -67.76 -25.96 65.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 0.0 110.345 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.609 ' HD2' ' CD1' ' A' ' 527' ' ' PHE . 60.7 t80 -60.72 -50.47 73.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.374 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 58.4 m -65.45 -35.06 79.79 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.165 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -48.39 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.29 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -73.34 -31.16 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -70.55 -42.92 70.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.06 -12.98 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.912 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.512 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 73.3 t-105 -59.37 -26.89 65.47 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.79 -176.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.53 -36.53 78.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.041 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.498 ' O ' HG21 ' A' ' 539' ' ' ILE . 28.7 t70 -93.41 -38.77 11.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.529 1.157 . . . . 0.0 109.558 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -66.5 -31.71 72.61 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.176 -168.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -61.46 -36.21 79.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.716 -0.393 . . . . 0.0 112.006 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.6 p80 -78.94 -18.67 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.242 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.498 HG21 ' O ' ' A' ' 535' ' ' ASP . 0.6 OUTLIER -93.67 -45.6 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.95 178.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.49 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.93 120.38 6.28 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.816 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.523 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.66 -175.181 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.413 HE21 ' HB3' ' A' ' 502' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.652 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 3.7 p -128.79 134.49 48.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.765 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.3 t -59.73 124.19 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.12 -15.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.834 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -101.14 -28.99 12.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.5 m -128.99 -86.06 0.55 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.4 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -167.62 -171.15 33.29 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.44 -174.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.652 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 98.0 mtt180 -54.25 -10.36 0.37 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.56 -0.83 1.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.885 0.374 . . . . 0.0 111.965 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -44.88 119.89 2.13 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.467 178.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 25.2 ttt -127.03 -21.46 3.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.753 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 40.8 m -123.01 144.93 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.384 0.611 . . . . 0.0 111.157 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.65 162.89 14.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.392 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.46 121.64 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.405 0.621 . . . . 0.0 109.658 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.4 m -78.78 118.71 21.1 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 165.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.92 -56.85 0.73 Allowed Glycine 0 C--N 1.311 -0.851 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -167.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.495 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 11.9 p -141.48 145.28 35.02 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 170.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -109.9 28.51 8.52 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.532 ' HG3' HG11 ' A' ' 521' ' ' VAL . 13.5 ptmm? -86.36 -20.1 28.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.793 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.532 HG11 ' HG3' ' A' ' 520' ' ' LYS . 36.0 m -132.97 160.11 42.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.949 0.404 . . . . 0.0 110.163 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.33 153.34 47.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -126.82 179.88 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.305 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.765 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.1 p -120.76 -8.5 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.167 -176.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 82.8 p -152.96 164.16 38.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.2 m -67.81 -28.14 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.35 0.595 . . . . 0.0 109.468 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 527' ' ' PHE . 76.0 t80 -62.01 -47.94 82.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.088 176.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.54 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 35.7 m -59.97 -36.6 77.5 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.46 -47.97 83.81 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.776 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -72.23 -37.5 69.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.752 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -69.28 -37.33 77.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.596 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . 0.752 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 26.2 t70 -72.88 -14.16 61.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.676 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -57.79 -30.8 65.97 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.644 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -58.26 -42.29 86.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.311 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.433 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 11.3 m-20 -93.08 -36.12 12.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.107 0.956 . . . . 0.0 110.243 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -67.42 -34.7 77.78 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.509 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -58.94 -35.24 72.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.896 -175.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 16.4 p80 -82.03 -22.73 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.076 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 535' ' ' ASP . 1.0 OUTLIER -89.05 -45.42 15.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.251 178.361 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.422 ' H ' HG13 ' A' ' 539' ' ' ILE . 11.0 t -52.41 121.79 7.62 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.726 -178.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.884 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.723 -177.177 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.473 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 7.4 pt20 . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.8 p -118.93 125.32 49.18 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.666 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 42.1 t -60.63 125.84 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.29 -18.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.983 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -101.35 -24.95 14.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.055 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . 0.662 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 69.2 m -120.53 -82.29 0.65 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -171.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . 165.49 -149.7 16.41 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -53.38 -10.4 0.23 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.36 3.94 0.83 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 123.794 0.838 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.666 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -71.74 170.69 13.03 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.097 -0.377 . . . . 0.0 110.929 -166.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.1 tpp -173.45 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.428 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 39.9 m -119.83 145.54 46.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -113.75 164.03 14.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.093 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.471 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -76.38 125.78 29.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.937 174.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 3.7 t -79.4 120.58 24.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.33 -54.96 0.77 Allowed Glycine 0 C--N 1.31 -0.867 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 11.2 p -143.39 144.91 32.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -114.34 33.0 5.55 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.486 ' HG3' HG11 ' A' ' 521' ' ' VAL . 9.5 ptmm? -87.63 -16.59 34.01 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.272 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.486 HG11 ' HG3' ' A' ' 520' ' ' LYS . 31.2 m -129.77 161.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.09 146.56 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 0.0 111.232 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 28.5 m-85 -125.87 -170.83 2.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.638 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 21.8 p -113.97 -37.8 4.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.318 0.58 . . . . 0.0 109.446 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.2 p -142.7 165.01 28.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.25 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.9 m -64.73 -22.8 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -59.77 -49.68 76.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.796 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.65 -35.46 80.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.852 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' ' 515' ' ' CYS . 37.1 tp60 -59.03 -48.5 81.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.063 0.459 . . . . 0.0 110.022 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -73.06 -30.24 63.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.24 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.27 -42.38 88.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.558 . . . . 0.0 110.5 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.71 -11.87 59.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.944 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.477 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 70.9 t-105 -60.37 -29.48 68.95 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -170.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.412 ' HA ' HE21 ' A' ' 537' ' ' GLN . 96.0 mttt -69.33 -28.28 66.1 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.96 -175.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.505 ' O ' HG21 ' A' ' 539' ' ' ILE . 0.8 OUTLIER -93.61 -38.4 11.37 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 122.479 1.133 . . . . 0.0 109.439 171.162 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.2 t60 -67.07 -33.17 74.91 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.599 -173.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . 0.422 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 9.8 pt20 -61.15 -33.44 73.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -175.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.1 p80 -81.62 -21.4 38.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.14 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.505 HG21 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -91.72 -45.21 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.826 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.503 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.3 t -53.04 121.45 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.032 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.68 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.258 -176.865 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.503 ' HG2' ' HB1' ' A' ' 511' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.4 p -120.87 128.61 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.161 0.505 . . . . 0.0 112.158 -174.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.727 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 41.9 t -64.59 129.21 38.99 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 175.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -21.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.764 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -99.25 -29.22 12.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.73 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 62.8 m -121.07 -49.23 2.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -167.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . 128.14 -150.73 18.53 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.586 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -53.09 -12.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.23 -4.34 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.727 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -50.73 150.79 2.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 47.0 ttm -153.92 -27.86 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.335 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.6 t -122.87 155.53 36.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.521 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -117.16 163.48 16.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.49 124.27 27.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.742 174.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 60.5 m -77.67 120.16 22.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.57 -59.8 0.68 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -168.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.7 p -134.72 144.15 47.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.57 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -112.16 32.57 5.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.06 0.457 . . . . 0.0 110.077 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -86.82 -28.87 22.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.14 157.81 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.45 152.09 47.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.34 0.59 . . . . 0.0 110.757 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.635 ' HD1' ' CD2' ' A' ' 523' ' ' TYR . 90.8 m-85 -125.67 -172.56 2.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.956 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 25.0 p -108.87 -37.46 5.85 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 6.0 p -145.4 171.78 14.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.146 -177.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -62.26 -29.95 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.662 ' HD1' ' CD2' ' A' ' 527' ' ' PHE . 34.5 t80 -59.92 -49.21 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.133 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 67.6 m -65.78 -35.05 79.6 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.854 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -60.65 -49.33 77.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 109.892 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 530' ' ' ARG . 22.1 mmt180 -72.54 -32.47 66.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.092 -177.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.853 ' HZ1' ' HB3' ' A' ' 531' ' ' LYS . 0.0 OUTLIER -69.7 -41.74 74.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.303 178.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.91 -13.28 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.603 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 67.7 t-105 -58.27 -30.81 66.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.093 -173.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 119.721 -0.18 . . . . 0.0 111.349 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.462 ' O ' HG21 ' A' ' 539' ' ' ILE . 29.1 t70 -93.0 -37.84 11.97 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.342 1.068 . . . . 0.0 109.663 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -67.23 -32.63 73.79 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.411 -170.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -59.84 -38.16 81.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -79.67 -21.7 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.984 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.04 -44.92 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.342 178.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.451 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.4 t -53.07 121.77 8.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.395 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.843 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.283 -175.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.534 ' HG2' ' HB1' ' A' ' 511' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 75.4 m -125.55 137.92 53.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.132 0.491 . . . . 0.0 112.08 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.6 t -60.07 127.72 33.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.98 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.06 -11.92 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -104.5 -31.42 9.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.69 -86.35 0.65 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -176.6 -158.95 21.22 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.479 -0.867 . . . . 0.0 113.221 -174.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 509' ' ' ARG . 14.9 mtp180 -51.66 -11.61 0.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -173.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' A' ' 512' ' ' MET . 20.7 tt0 -67.21 -1.87 5.04 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.665 0.269 . . . . 0.0 111.372 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.642 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -49.62 115.78 1.5 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.202 0.525 . . . . 0.0 112.293 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 25.6 mmt -123.27 -22.68 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.695 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.9 m -123.93 152.79 42.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 111.451 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -111.65 164.19 13.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.17 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.539 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.4 t -76.62 126.94 31.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.398 0.618 . . . . 0.0 109.901 173.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.8 m -77.56 120.51 22.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.51 -52.15 0.84 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.158 -171.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.4 p -136.77 146.05 45.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -109.8 25.64 11.56 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.193 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 520' ' ' LYS . 14.4 ptpt -87.3 -27.11 23.07 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.978 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 30.8 m -127.54 156.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.028 -0.42 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.69 153.11 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 111.396 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.642 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 89.8 m-85 -125.45 -178.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.459 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 8.9 p -117.63 -25.53 6.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.089 0.471 . . . . 0.0 110.032 -177.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.2 m -143.87 162.34 36.36 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 28.7 m -66.48 -27.12 67.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.108 0.48 . . . . 0.0 110.146 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -60.08 -48.17 82.85 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.071 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.69 0.281 . . . . 0.0 110.308 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.539 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.3 tp60 -59.63 -48.93 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.345 0.593 . . . . 0.0 110.05 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -73.87 -35.16 64.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.496 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -65.47 -43.61 89.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.126 0.489 . . . . 0.0 110.957 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.67 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.448 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -59.95 -26.07 65.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.162 -174.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.401 ' HA ' HE21 ' A' ' 537' ' ' GLN . 55.3 mttp -68.7 -32.81 72.88 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.62 -175.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 1.8 t0 -93.51 -37.31 11.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.484 1.135 . . . . 0.0 109.435 170.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.4 t60 -67.69 -33.09 74.22 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.922 -170.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . 0.401 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.4 pt20 -58.4 -38.01 76.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.9 p80 -79.04 -22.47 45.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.893 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.532 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -87.77 -45.88 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.316 -0.553 . . . . 0.0 109.875 178.658 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.532 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.5 t -55.28 121.3 8.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.598 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.81 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.528 -176.503 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 N--CA 1.446 -0.674 0 CA-C-O 120.522 0.201 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 8.4 p -128.62 128.67 44.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.689 0.28 . . . . 0.0 110.254 177.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.7 t -60.63 123.09 16.4 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.06 -14.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.938 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -99.91 -34.43 10.13 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.095 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -122.03 -83.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -173.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.432 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.41 -170.39 33.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.873 -175.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 4.1 ppt_? -53.48 -7.81 0.12 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.07 -2.95 1.45 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.509 0.323 . . . . 0.0 111.665 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.642 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -50.66 154.34 1.4 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.6 ptp -165.65 -20.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.032 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.2 m -124.04 154.57 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.909 -0.495 . . . . 0.0 110.856 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -115.32 154.81 28.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.758 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.533 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.37 125.8 29.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.552 177.099 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.8 m -76.93 121.09 22.95 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 134.32 -32.03 2.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.9 p -145.13 177.17 8.98 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 170.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -129.51 28.83 5.14 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 164.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.563 ' HG2' HG12 ' A' ' 521' ' ' VAL . 3.0 ttmm -90.51 -30.08 17.5 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.942 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.563 HG12 ' HG2' ' A' ' 520' ' ' LYS . 34.1 m -118.59 160.13 18.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 121.215 0.531 . . . . 0.0 111.487 -175.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.1 143.02 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 -178.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.661 ' HD1' ' CD2' ' A' ' 523' ' ' TYR . 98.0 m-85 -125.51 178.88 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.773 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.828 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 4.9 p -120.46 -13.26 8.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 109.896 -176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.43 ' HG ' ' C ' ' A' ' 524' ' ' CYS . 19.8 m -154.77 163.67 39.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.8 m -71.29 -28.14 63.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.429 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.612 ' HE2' ' CE1' ' A' ' 527' ' ' PHE . 65.2 t80 -59.8 -47.21 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.797 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.48 -36.39 83.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 110.268 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.533 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.8 OUTLIER -56.09 -48.78 75.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.124 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -73.38 -29.49 62.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.484 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.5 -43.25 60.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 110.518 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -74.88 -12.61 60.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.938 0.399 . . . . 0.0 111.074 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -58.12 -30.11 66.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.723 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -59.18 -38.52 80.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.354 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 24.9 t70 -92.56 -41.15 10.39 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.488 1.137 . . . . 0.0 109.845 173.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -65.53 -31.84 73.11 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.033 -169.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -60.19 -34.93 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 112.059 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.3 p80 -79.16 -20.37 48.65 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.861 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.529 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -93.36 -45.61 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.649 178.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.529 ' N ' HG13 ' A' ' 539' ' ' ILE . 13.2 t -55.05 121.57 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.385 0.612 . . . . 0.0 111.293 -177.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.566 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.753 178.339 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 7.3 pt20 . . . . . 0 N--CA 1.445 -0.697 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 5.5 p -121.2 129.2 53.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.888 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.718 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 43.1 t -59.14 123.15 15.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.35 -18.11 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.522 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -97.98 -30.8 12.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 8.7 m -122.44 -82.94 0.65 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.421 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -179.99 -162.46 28.91 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.048 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -54.69 -8.24 0.23 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 512' ' ' MET . 10.4 tp10 -67.4 -2.01 5.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.683 0.278 . . . . 0.0 111.078 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.718 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -48.3 137.99 10.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.293 0.568 . . . . 0.0 112.333 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 23.6 mmt -143.49 -28.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.12 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.0 m -123.41 155.28 37.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -171.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.09 164.62 16.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.92 123.68 28.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.24 175.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.3 m -80.07 120.41 24.19 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 167.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.85 -57.78 0.72 Allowed Glycine 0 C--N 1.312 -0.786 0 C-N-CA 120.314 -0.946 . . . . 0.0 110.813 -168.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.647 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 9.3 p -135.53 144.33 46.22 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -113.75 35.05 4.24 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.647 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 18.0 ptpt -86.88 -25.77 24.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.429 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.555 HG11 ' HG3' ' A' ' 520' ' ' LYS . 20.1 m -128.05 163.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 0.0 111.319 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.51 147.96 52.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.817 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.651 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 97.4 m-85 -123.56 -174.63 3.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.567 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 7.6 p -124.8 4.23 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.167 0.508 . . . . 0.0 110.064 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 79.4 p -170.25 162.01 8.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 16.2 m -69.31 -24.46 63.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 109.925 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.671 ' HE1' ' CE2' ' A' ' 527' ' ' PHE . 55.8 t80 -63.35 -48.72 76.79 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.79 176.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 55.6 m -58.67 -35.89 73.29 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.939 0.399 . . . . 0.0 109.95 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -48.45 78.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.649 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -71.59 -30.48 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.081 0.467 . . . . 0.0 111.279 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -71.73 -42.55 67.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.55 -13.47 60.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.789 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.523 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 74.1 t-105 -58.5 -26.11 63.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.407 -173.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.401 ' HA ' HE21 ' A' ' 537' ' ' GLN . 48.8 mttp -68.88 -30.94 69.55 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.119 -0.363 . . . . 0.0 111.266 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 4.7 t0 -94.47 -37.9 11.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.798 1.285 . . . . 0.0 109.043 170.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.523 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.64 -33.89 76.66 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.472 -170.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . 0.401 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.3 pt20 -58.68 -36.87 74.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.0 p80 -82.69 -20.01 36.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.233 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 540' ' ' CYS . 1.0 OUTLIER -91.8 -42.16 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.138 0.495 . . . . 0.0 110.59 178.037 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.434 ' N ' HG13 ' A' ' 539' ' ' ILE . 18.7 t -51.48 121.49 6.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.117 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.685 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.05 -175.634 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.472 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 3.2 pt20 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.732 0.301 . . . . 0.0 111.527 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.1 p -129.12 130.9 47.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.531 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.719 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.18 125.51 23.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.27 -17.84 20.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.619 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -98.73 -28.48 13.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.365 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 13.0 m -122.78 -82.92 0.65 Allowed 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 176.05 -156.46 21.49 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.576 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -53.05 -8.7 0.11 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.7 -4.07 8.06 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 122.364 -0.21 . . . . 0.0 111.485 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.702 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -47.67 149.58 1.2 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.8 ttm -162.18 -28.55 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.471 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 37.8 m -118.63 138.31 52.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.585 0.707 . . . . 0.0 110.803 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.31 162.07 14.43 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.108 -175.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.451 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -73.35 127.59 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.441 0.639 . . . . 0.0 110.55 174.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 120.5 23.01 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 162.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.45 -57.61 0.72 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -139.94 145.48 37.98 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -113.06 32.46 5.71 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.577 ' HG3' HG11 ' A' ' 521' ' ' VAL . 12.9 ptmm? -87.72 -25.6 23.36 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.472 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.577 HG11 ' HG3' ' A' ' 520' ' ' LYS . 14.0 m -122.31 159.61 25.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.008 0.432 . . . . 0.0 110.943 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.97 144.87 51.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.332 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.648 ' HE1' ' CE2' ' A' ' 523' ' ' TYR . 34.0 m-85 -125.53 -174.98 3.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.148 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.719 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.2 p -121.89 -9.13 8.83 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.265 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 48.2 t -161.57 162.36 30.13 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.048 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 57.7 m -67.41 -25.16 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.097 0.475 . . . . 0.0 110.193 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.594 ' HD1' ' CD2' ' A' ' 527' ' ' PHE . 71.9 t80 -61.08 -48.94 79.37 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.738 177.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.7 m -64.4 -35.32 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.352 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.453 ' HA ' ' CE2' ' A' ' 523' ' ' TYR . 36.6 tp60 -60.63 -48.16 83.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.745 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 41.1 ttp-105 -72.12 -31.96 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.465 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -70.18 -42.28 72.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.422 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.4 -11.52 60.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.117 0.484 . . . . 0.0 111.161 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.2 t-105 -60.04 -26.53 66.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.848 -171.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -68.4 -31.7 71.23 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 122.131 -0.356 . . . . 0.0 110.738 -176.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.47 ' O ' HG21 ' A' ' 539' ' ' ILE . 37.0 m-20 -94.39 -35.2 12.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.803 0.811 . . . . 0.0 110.09 171.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 55.1 t60 -67.41 -34.4 77.17 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.684 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -60.23 -34.75 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.997 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.7 p80 -81.54 -22.11 38.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.334 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.47 HG21 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.24 -44.79 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.628 178.648 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.454 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.0 t -53.14 122.23 9.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.362 -177.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.395 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.499 -178.214 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.487 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 9.1 pt20 . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 7.9 p -127.85 126.3 41.36 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.682 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 41.9 t -60.27 122.75 15.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.42 -16.04 15.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.741 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -100.85 -26.75 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.5 m -122.94 -80.89 0.63 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.429 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 173.31 -153.86 18.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.533 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -51.25 -13.35 0.18 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.59 -1.69 9.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.739 0.305 . . . . 0.0 111.802 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.682 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -48.86 139.56 9.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 112.586 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' MET . . . . . 0.46 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 64.7 mtt -149.38 -27.66 0.27 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.959 -177.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.9 t -122.28 155.04 36.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.118 0.485 . . . . 0.0 110.226 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -123.91 163.87 20.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -172.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.589 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.63 126.69 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.567 0.699 . . . . 0.0 110.579 173.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 1.8 t -77.58 120.02 21.95 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.782 164.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.18 -51.89 0.84 Allowed Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.555 ' HB2' ' NZ ' ' A' ' 520' ' ' LYS . 9.1 p -145.36 145.61 31.25 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.892 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -113.65 29.98 7.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.281 0.563 . . . . 0.0 109.586 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.555 ' NZ ' ' HB2' ' A' ' 518' ' ' CYS . 4.8 ptpp? -87.02 -21.09 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.738 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.503 HG11 ' HG3' ' A' ' 520' ' ' LYS . 27.2 m -125.83 158.35 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.15 146.51 52.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.541 0.686 . . . . 0.0 111.568 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.65 ' HE2' ' CE1' ' A' ' 523' ' ' TYR . 73.7 m-85 -124.6 -173.69 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.11 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.4 p -120.86 -14.36 8.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.183 0.516 . . . . 0.0 109.895 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 40.2 t -157.12 160.77 39.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 56.9 m -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.063 0.459 . . . . 0.0 110.219 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.88 -49.14 78.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.615 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -64.4 -35.12 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.165 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.589 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.57 -48.95 79.21 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.035 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -73.15 -30.98 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.32 -41.78 89.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.114 0.483 . . . . 0.0 109.827 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -78.72 -11.7 59.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.427 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -58.59 -29.27 66.31 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -172.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.62 -42.83 79.46 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 122.346 0.258 . . . . 0.0 110.896 177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.542 ' O ' HG21 ' A' ' 539' ' ' ILE . 24.0 t70 -92.25 -36.56 13.17 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.204 1.002 . . . . 0.0 109.812 176.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.9 t60 -68.01 -33.02 73.82 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.205 -170.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -58.44 -38.54 77.7 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.794 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.4 p80 -80.03 -22.7 42.1 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.398 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.542 HG21 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -88.32 -43.82 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.236 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.506 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.96 120.83 6.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.355 -177.179 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.547 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 8.6 pt20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 55.5 p -129.08 123.77 33.1 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.368 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.715 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 49.3 t -60.55 122.59 15.05 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.3 -15.86 18.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.745 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -97.04 -33.56 11.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.242 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.96 -81.92 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.799 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -174.2 -166.76 32.77 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.04 -1.076 . . . . 0.0 113.552 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.539 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.8 mpt_? -56.0 -8.15 0.41 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.26 0.58 3.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.735 0.302 . . . . 0.0 111.438 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.715 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -46.87 155.19 0.28 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.727 0.775 . . . . 0.0 113.075 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.9 ttt -159.05 -24.54 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.026 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.5 t -121.82 154.98 36.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.29 0.567 . . . . 0.0 110.943 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -123.09 158.43 30.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.695 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.5 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.3 OUTLIER -75.92 128.15 34.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.335 0.588 . . . . 0.0 110.861 178.416 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 m -78.39 120.32 22.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 164.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.64 -52.5 0.83 Allowed Glycine 0 CA--C 1.5 -0.899 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.1 p -144.55 144.03 31.11 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -109.67 30.83 6.3 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.502 ' HG3' HG11 ' A' ' 521' ' ' VAL . 11.1 ptmm? -86.43 -24.4 25.7 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.114 -176.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.502 HG11 ' HG3' ' A' ' 520' ' ' LYS . 29.9 m -124.44 160.32 29.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.83 0.348 . . . . 0.0 110.122 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.44 148.24 51.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.841 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.629 ' HE2' ' CE1' ' A' ' 523' ' ' TYR . 78.2 m-85 -126.7 -173.8 2.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.776 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.0 p -126.66 0.84 6.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.543 . . . . 0.0 110.135 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 37.3 t -167.25 161.08 14.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 17.8 m -64.92 -28.69 69.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.462 . . . . 0.0 110.136 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.594 ' HE2' ' CE1' ' A' ' 527' ' ' PHE . 71.8 t80 -61.13 -48.51 81.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.747 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.5 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.08 -48.63 79.58 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.14 177.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -73.25 -34.01 65.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.336 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -62.3 -42.34 99.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.873 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.32 -12.2 59.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.39 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.514 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -60.32 -26.53 66.62 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -68.49 -31.81 71.34 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.038 -0.414 . . . . 0.0 110.539 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.451 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 39.0 t70 -93.11 -38.1 11.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.592 1.186 . . . . 0.0 109.718 170.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.55 -33.81 76.5 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.372 -1.285 . . . . 0.0 111.012 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -59.09 -34.36 71.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.0 p80 -83.55 -25.43 30.98 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.31 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.8 OUTLIER -86.28 -44.17 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.084 0.469 . . . . 0.0 110.472 179.463 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.446 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.9 t -52.14 122.87 9.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.865 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.782 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.245 179.11 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.513 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 6.8 pt20 . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.688 0.28 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.4 m -116.81 123.01 46.05 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.857 0.36 . . . . 0.0 111.512 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.738 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 42.2 t -59.85 124.98 21.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 175.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.53 -12.34 10.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -104.12 -24.13 13.21 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.126 175.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 39.6 m -121.82 -84.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.107 -0.37 . . . . 0.0 111.93 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . 172.62 -154.24 20.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.017 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -52.51 -9.48 0.11 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -175.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.07 -4.17 19.86 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.738 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -52.93 146.56 10.67 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.3 ttt -145.52 -28.6 0.44 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.46 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 23.0 t -122.3 155.87 35.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.065 0.46 . . . . 0.0 110.633 -167.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -118.01 163.4 16.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.546 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -80.67 127.54 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.595 176.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 4.3 m -79.72 120.72 24.41 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 164.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 132.21 -49.24 0.93 Allowed Glycine 0 C--N 1.313 -0.713 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -170.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 16.7 p -145.01 143.98 30.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -108.58 37.59 2.47 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.321 0.582 . . . . 0.0 109.47 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.538 ' HG3' HG12 ' A' ' 521' ' ' VAL . 12.5 ptmm? -99.17 -24.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.801 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.538 HG12 ' HG3' ' A' ' 520' ' ' LYS . 18.1 m -121.79 162.05 21.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.933 0.397 . . . . 0.0 110.815 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.85 149.94 52.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.155 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.65 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 88.3 m-85 -125.05 -174.2 2.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.645 -1.161 . . . . 0.0 108.555 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.9 p -117.1 -32.75 4.93 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 13.0 m -138.99 165.27 27.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.239 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -69.14 -25.37 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.084 0.469 . . . . 0.0 110.501 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.618 ' HD1' ' CD2' ' A' ' 527' ' ' PHE . 45.3 t80 -60.23 -47.69 84.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.109 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.509 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 27.1 m -63.97 -35.74 81.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.546 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.78 -48.32 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.898 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -73.1 -35.21 66.55 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.313 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.574 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -72.98 -37.49 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.108 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . 0.574 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 29.7 t70 -70.53 -14.89 62.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 59.5 t-105 -58.69 -26.41 63.83 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.489 -173.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.54 -33.91 76.73 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 122.255 -0.278 . . . . 0.0 111.171 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.481 ' O ' HG21 ' A' ' 539' ' ' ILE . 31.5 t70 -94.18 -37.55 11.51 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.676 1.226 . . . . 0.0 109.517 170.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 72.6 t60 -66.22 -33.14 75.09 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.271 -169.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -58.7 -36.92 75.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 22.8 p80 -80.15 -23.86 40.8 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.934 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -88.07 -44.81 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 110.062 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.493 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.5 t -51.67 122.44 8.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.245 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.748 -177.542 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.459 HE21 ' HB3' ' A' ' 502' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.109 0.48 . . . . 0.0 110.361 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.6 m -129.39 136.72 50.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.662 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 43.0 t -61.07 123.43 17.62 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.62 -15.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.983 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -103.16 -25.19 13.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.622 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 33.7 m -122.58 -76.25 0.59 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.429 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 167.37 -153.5 23.04 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.915 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 509' ' ' ARG . 44.6 ttt180 -52.0 -12.07 0.2 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.13 -3.17 3.44 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 122.111 -0.368 . . . . 0.0 111.878 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.619 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -48.08 141.35 6.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.7 tpt -147.11 -23.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.22 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.0 m -124.32 154.64 39.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.178 0.513 . . . . 0.0 111.187 -175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -114.61 163.02 16.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.504 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.491 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -75.03 124.78 27.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.53 0.681 . . . . 0.0 110.141 175.41 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.3 m -79.92 119.83 23.3 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 164.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.46 -55.84 0.75 Allowed Glycine 0 C--N 1.313 -0.736 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -168.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.618 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 16.7 p -142.13 142.4 32.75 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 168.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -105.48 30.55 5.6 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.186 0.517 . . . . 0.0 109.771 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.618 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 8.6 ptpp? -88.65 -29.77 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.256 -177.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.554 HG11 ' HG3' ' A' ' 520' ' ' LYS . 29.6 m -122.87 158.8 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.054 0.454 . . . . 0.0 110.159 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.59 148.62 52.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.434 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -125.61 -175.47 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.287 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 14.4 p -115.22 -18.88 11.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.232 0.539 . . . . 0.0 109.939 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 163.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.885 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 2.5 m -65.14 -24.85 67.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 0.0 110.982 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -61.53 -49.23 77.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.701 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 63.6 m -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.577 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.491 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 3.3 tp60 -58.01 -47.21 83.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.656 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.74 -37.14 65.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.252 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.701 ' HG3' ' HA ' ' A' ' 528' ' ' CYS . 0.0 OUTLIER -69.74 -36.87 76.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.05 -177.506 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . 0.597 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 34.1 t70 -71.79 -13.58 61.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.955 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 63.9 t-105 -58.48 -27.08 64.1 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.279 -173.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -59.62 -39.15 83.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.199 -0.313 . . . . 0.0 111.319 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.456 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 5.2 t70 -93.48 -38.75 11.25 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.561 1.172 . . . . 0.0 109.124 173.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.515 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 49.7 t60 -64.96 -32.72 74.58 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.283 -170.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -63.97 -31.1 72.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.3 p80 -83.23 -20.77 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.08 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 536' ' ' HIS . 1.0 OUTLIER -92.79 -46.33 14.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.308 178.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.406 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.8 t -52.0 123.45 10.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.972 0.891 . . . . 0.0 112.072 -175.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.845 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.832 179.766 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.526 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 3.7 pt20 . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 62.2 m -112.14 129.45 56.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.069 0.461 . . . . 0.0 111.801 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.61 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 48.3 t -59.11 127.99 34.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -26.98 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.944 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -92.33 -34.65 14.12 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.457 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 12.0 m -121.79 -80.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.44 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.22 -160.86 26.6 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.787 -174.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -51.9 -11.11 0.14 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -173.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.96 -1.63 4.29 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.604 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -52.1 122.5 8.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.719 0.771 . . . . 0.0 112.096 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -136.37 -11.33 1.89 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.153 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 t -124.5 156.41 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.558 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.96 156.78 34.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.821 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.49 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.2 t -71.47 125.36 26.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.354 0.597 . . . . 0.0 109.862 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.5 m -78.36 120.9 23.77 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 167.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.76 -51.16 0.87 Allowed Glycine 0 C--N 1.31 -0.89 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -170.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.0 p -138.58 143.78 39.52 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 171.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -106.9 25.36 11.41 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.076 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.17 -28.47 23.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.399 -177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.56 160.93 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.25 149.31 52.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.964 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 1.667 ' HD1' ' CD2' ' A' ' 523' ' ' TYR . 97.6 m-85 -124.79 -177.02 3.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.728 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.1 p -122.56 -1.13 9.08 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.724 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 35.3 t -174.17 161.3 3.53 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.15 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.3 m -67.17 -24.24 65.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.025 0.441 . . . . 0.0 110.515 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 1.669 ' HD2' ' CD1' ' A' ' 527' ' ' PHE . 7.6 t80 -59.56 -48.68 80.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 176.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.48 -36.6 83.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.49 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.6 tp60 -58.77 -48.61 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.197 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -73.23 -31.33 64.07 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.179 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -70.18 -43.89 69.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.113 0.483 . . . . 0.0 110.812 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.47 -10.79 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.167 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 71.0 t-105 -57.97 -27.02 63.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.66 -175.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -56.82 -42.14 79.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.45 ' O ' HG21 ' A' ' 539' ' ' ILE . 23.5 t70 -92.96 -36.86 12.53 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 122.327 1.06 . . . . 0.0 109.47 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 64.9 t60 -65.86 -32.44 73.96 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.315 -169.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -60.81 -37.33 81.62 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.846 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.5 p80 -79.61 -19.96 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.198 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.8 OUTLIER -92.75 -44.93 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.193 178.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . 0.466 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.6 t -51.62 123.19 9.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.717 0.77 . . . . 0.0 111.675 -175.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 CA-C-N 114.843 -1.071 . . . . 0.0 113.101 179.395 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 510' ' ' GLU . . . -81.17 57.22 3.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.248 0.546 . . . . 0.0 110.831 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -140.15 -38.8 0.45 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.687 176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.18 -29.32 70.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.841 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.464 ' HG3' ' HB2' ' A' ' 511' ' ' ALA . 2.7 pt20 -133.24 153.5 51.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.612 0.244 . . . . 0.0 110.512 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.2 p -128.88 127.31 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.356 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.662 ' N ' ' HB1' ' A' ' 511' ' ' ALA . 48.2 t -62.3 125.53 24.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.17 -16.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.857 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -103.77 -23.57 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.253 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 53.2 m -122.47 -87.32 0.64 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.129 0.49 . . . . 0.0 112.125 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -177.4 -162.11 27.07 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.717 -174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -53.46 -9.86 0.21 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 499' ' ' ALA . 7.0 mp0 -64.27 -3.78 3.15 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.662 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -46.17 139.96 4.26 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.425 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 50.0 ttm -148.26 -24.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.488 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.8 m -123.79 142.76 50.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.25 0.548 . . . . 0.0 111.252 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -106.77 164.17 12.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.763 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.545 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.9 t -77.13 125.62 29.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.346 0.593 . . . . 0.0 110.305 174.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 2.9 t -77.94 122.09 25.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 167.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.06 -52.65 0.82 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.57 146.51 44.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -109.11 21.12 17.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.535 ' HG3' HG11 ' A' ' 521' ' ' VAL . 20.1 ptmt -87.37 -23.47 24.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.906 -174.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.535 HG11 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -125.3 157.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 118.0 0.364 . . . . 0.0 110.381 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 147.2 51.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.368 0.604 . . . . 0.0 111.265 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.628 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 83.2 m-85 -125.84 -172.75 2.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 21.3 p -110.97 -34.47 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.411 0.624 . . . . 0.0 109.48 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.7 p -146.43 172.57 13.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.264 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 24.4 m -68.15 -25.63 65.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -60.23 -49.52 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.597 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 95.2 m -66.22 -35.68 81.07 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.464 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.545 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.1 tp60 -59.14 -48.59 81.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.061 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.89 -36.46 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.897 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.62 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -68.53 -36.88 79.46 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.634 -178.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . 0.62 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 30.3 t70 -72.17 -13.3 61.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.509 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 55.8 t-105 -59.44 -26.51 65.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.13 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -62.84 -35.78 81.07 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.427 -0.171 . . . . 0.0 110.6 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 34.8 t70 -93.25 -39.33 11.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.587 1.185 . . . . 0.0 109.53 171.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 57.7 t60 -66.01 -32.12 73.41 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.312 -169.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -61.5 -33.55 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.753 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 16.6 p80 -80.38 -20.37 44.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.049 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.517 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -92.73 -47.42 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.871 178.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.517 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.2 t -56.04 120.53 7.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.556 0.693 . . . . 0.0 110.651 -177.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 142.32 -40.18 1.3 Allowed Glycine 0 C--N 1.315 -0.591 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.856 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 543' ' ' SER . 29.4 mm-40 -73.88 -79.73 0.08 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 542' ' ' GLN . 20.3 m 89.78 60.81 0.01 OUTLIER 'General case' 0 C--O 1.235 0.331 0 CA-C-O 122.054 0.931 . . . . 0.0 110.555 165.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.735 0 CA-C-N 114.281 -1.327 . . . . 0.0 108.332 175.582 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.311 -0.315 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -141.76 28.13 1.79 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.981 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 87.1 mtp -125.85 -18.11 5.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.941 0.4 . . . . 0.0 110.97 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.85 -23.61 66.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.316 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -130.1 152.89 49.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -175.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 16.0 m -126.15 128.07 46.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.938 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.711 ' N ' ' HB1' ' A' ' 511' ' ' ALA . 33.2 t -61.15 123.42 17.64 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.7 -19.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.207 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 10.5 t30 -95.57 -39.76 9.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.909 -178.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.1 p -121.29 -73.6 0.64 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 119.337 -0.945 . . . . 0.0 112.558 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -167.63 -168.73 30.2 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.839 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 511' ' ' ALA . 13.6 ptt180 -52.57 -9.24 0.11 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.193 1.182 . . . . 0.0 114.193 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.4 -2.69 0.52 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.784 0.434 . . . . 0.0 111.975 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.711 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -46.05 153.19 0.33 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.8 ttt -168.11 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.675 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.0 m -123.11 140.35 53.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.638 0.256 . . . . 0.0 110.384 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -100.87 163.59 12.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.819 0.343 . . . . 0.0 110.721 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.522 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.33 124.9 27.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.497 172.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.6 t -78.24 119.8 22.12 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 166.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.8 -50.1 0.9 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 13.2 p -144.7 145.76 31.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -108.33 24.94 12.27 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.68 ' HE3' ' HB1' ' A' ' 544' ' ' ALA . 5.7 ptpp? -85.96 -18.72 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.68 157.3 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.47 154.09 42.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.395 0.616 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.429 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 87.4 m-85 -126.41 -171.93 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.563 -1.199 . . . . 0.0 108.453 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 27.7 p -108.52 -44.3 4.11 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.76 0.791 . . . . 0.0 109.213 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 12.8 t -143.38 172.43 12.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.613 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.7 m -62.46 -28.03 69.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.25 -51.24 70.4 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.48 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 57.1 m -64.47 -35.75 81.95 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.137 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.522 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.1 -48.59 81.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.378 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -73.07 -31.89 64.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.239 0.542 . . . . 0.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -70.15 -43.42 70.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.413 0.625 . . . . 0.0 110.93 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -77.77 -11.51 59.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.026 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 76.6 t-105 -59.39 -27.2 65.78 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.341 -173.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.409 ' HA ' HE21 ' A' ' 537' ' ' GLN . 75.9 mttt -69.41 -30.02 67.88 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.678 -174.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.49 ' O ' HG21 ' A' ' 539' ' ' ILE . 0.4 OUTLIER -93.95 -37.52 11.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.493 1.139 . . . . 0.0 109.676 170.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.2 t60 -65.71 -33.08 75.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.391 -173.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . 0.409 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.2 pt20 -62.27 -30.08 70.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -83.81 -22.61 31.73 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.153 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.518 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -90.38 -46.24 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.518 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.5 t -53.77 120.94 6.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.342 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 135.38 -22.05 3.58 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.491 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -66.02 146.41 54.73 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.5 m -75.54 90.36 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.733 -175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . 0.68 ' HB1' ' HE3' ' A' ' 520' ' ' LYS . . . . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.319 -0.848 . . . . 0.0 109.812 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 66.7 138.63 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.409 0.684 . . . . 0.0 112.02 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 5.2 mpp? 56.74 37.27 28.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.766 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -83.06 2.01 37.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.788 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.484 ' HG2' ' HB2' ' A' ' 511' ' ' ALA . 0.0 OUTLIER -137.83 141.49 40.8 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.501 -0.772 . . . . 0.0 108.992 -173.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.828 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 6.4 m -109.28 131.12 55.37 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.952 -176.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.576 ' N ' ' HB1' ' A' ' 511' ' ' ALA . 42.7 t -61.11 120.92 11.23 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.45 -16.89 18.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.219 -174.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.544 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 18.5 t30 -98.59 -37.62 9.46 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 508' ' ' GLY . 17.4 p -123.53 -75.1 0.6 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 119.144 -1.022 . . . . 0.0 113.136 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 507' ' ' CYS . . . -160.25 178.05 36.45 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.579 -174.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.828 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 3.0 ptm180 -54.59 -7.69 0.18 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -178.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -58.65 -0.93 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.248 0.619 . . . . 0.0 112.232 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.576 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -46.54 152.56 0.45 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.5 tpt -160.03 -28.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.348 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 144.4 49.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.712 0.291 . . . . 0.0 110.476 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -101.65 155.07 18.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 110.491 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.532 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.1 t -71.61 125.86 28.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.687 173.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 27.4 m -75.9 120.01 20.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 133.5 -46.87 1.03 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.363 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.23 165.51 23.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -129.99 26.97 5.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.968 173.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.521 ' HG3' HG11 ' A' ' 521' ' ' VAL . 18.7 ptmt -89.49 -26.5 20.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.521 HG11 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -130.12 159.0 42.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.693 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 156.91 39.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.427 0.632 . . . . 0.0 111.167 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 82.1 m-85 -127.1 -171.86 2.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.749 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.9 p -112.29 -39.55 4.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.6 p -144.47 171.7 13.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.389 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 33.1 m -70.41 -23.94 62.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.979 0.419 . . . . 0.0 110.483 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.644 ' HE1' ' CE2' ' A' ' 527' ' ' PHE . 57.3 t80 -60.38 -50.11 74.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 66.8 m -65.62 -35.7 81.56 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.384 -0.526 . . . . 0.0 109.679 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.532 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.3 tp60 -57.48 -48.84 78.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.69 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -73.87 -30.68 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.314 0.578 . . . . 0.0 110.385 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.425 ' HD2' ' OD1' ' A' ' 506' ' ' ASN . 13.9 tmtt? -70.45 -42.8 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.416 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.66 -11.69 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.186 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -59.75 -26.22 65.5 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.692 -172.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -68.51 -32.19 71.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.215 -0.303 . . . . 0.0 111.233 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 25.5 t70 -92.78 -38.62 11.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.541 1.162 . . . . 0.0 109.606 170.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -67.97 -32.34 72.68 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.48 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -59.23 -38.09 79.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.6 p80 -77.28 -18.93 57.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.627 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.508 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.84 -44.91 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.667 177.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.508 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.2 t -55.22 121.82 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.085 0.945 . . . . 0.0 111.336 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 145.23 -35.24 1.47 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.488 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -105.66 158.56 16.62 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 70.5 m -115.17 49.62 1.05 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.272 0.558 . . . . 0.0 110.126 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.557 178.446 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -129.75 117.16 19.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 52.5 ttm -70.3 -17.93 63.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.283 0.563 . . . . 0.0 110.623 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.13 -22.6 65.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.039 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -134.72 156.74 48.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.029 0.442 . . . . 0.0 111.129 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 68.3 m -130.56 137.66 49.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.328 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.882 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.2 t -60.4 124.28 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.33 -16.49 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.684 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -97.37 -32.19 12.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 5.0 m -122.44 -83.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.712 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.428 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.69 -156.29 17.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.624 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -52.23 -8.14 0.07 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.82 -2.22 8.99 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.142 -0.349 . . . . 0.0 111.55 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.605 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -47.96 148.2 1.77 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.438 0.637 . . . . 0.0 112.706 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.7 ptp -163.29 -24.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.555 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 26.3 m -123.7 151.05 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.408 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.02 163.51 14.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.557 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.7 t -79.54 124.81 28.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.126 175.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.2 m -77.39 122.21 24.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.28 -35.88 2.35 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.28 159.34 42.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -120.27 33.21 5.68 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.55 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.58 ' HG3' HG12 ' A' ' 521' ' ' VAL . 16.6 ptmt -106.97 -26.59 11.12 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.58 HG12 ' HG3' ' A' ' 520' ' ' LYS . 30.5 m -118.91 157.5 20.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.314 -0.866 . . . . 0.0 110.858 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.71 145.07 51.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.658 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 95.1 m-85 -127.26 -176.96 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.727 -178.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.882 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 3.6 p -121.65 -4.55 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.303 0.573 . . . . 0.0 109.811 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 46.9 t -164.97 160.53 19.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 27.3 m -69.36 -25.8 64.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.05 0.453 . . . . 0.0 110.011 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.91 -49.47 76.06 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.639 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -61.93 -35.6 78.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.063 0.459 . . . . 0.0 109.85 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.557 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.2 OUTLIER -59.42 -48.83 80.13 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.351 177.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -72.67 -30.79 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.699 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.492 ' HD3' ' C ' ' A' ' 531' ' ' LYS . 1.2 tmtp? -69.93 -44.31 69.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -74.7 -10.75 59.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.123 0.487 . . . . 0.0 111.02 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -59.34 -25.21 64.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.497 -173.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -65.92 -40.3 91.33 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 122.249 -0.282 . . . . 0.0 110.707 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.494 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 3.8 t70 -92.0 -36.91 13.13 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 122.716 1.246 . . . . 0.0 109.636 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.418 ' CE1' HG22 ' A' ' 521' ' ' VAL . 76.3 t60 -68.1 -32.07 72.12 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.577 -170.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -58.66 -38.68 78.68 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.678 -0.409 . . . . 0.0 112.085 -175.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.3 p80 -76.61 -18.13 58.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.738 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.5 OUTLIER -93.39 -44.69 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.419 177.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.463 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.5 t -53.21 122.19 9.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.759 0.79 . . . . 0.0 111.576 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 148.71 -19.52 1.28 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 114.198 -1.364 . . . . 0.0 111.307 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.422 ' O ' ' HD2' ' A' ' 520' ' ' LYS . 28.2 mt-30 -110.84 91.18 3.56 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.24 -0.48 . . . . 0.0 111.609 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.2 m -101.25 2.28 39.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.393 0.615 . . . . 0.0 109.496 171.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.159 -178.378 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 112.687 -0.165 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 64.64 35.82 8.78 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 170.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' MET . . . . . 0.44 ' HB2' ' HD3' ' A' ' 509' ' ' ARG . 23.7 ptt? -142.76 8.42 1.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.336 0.589 . . . . 0.0 109.536 169.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.94 -13.68 59.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.894 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.64 156.66 47.25 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.748 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 18.2 m -128.6 132.95 48.2 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.813 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.1 t -59.9 123.9 18.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.21 -16.63 14.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.76 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.97 -30.61 10.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.549 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.23 -82.49 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.53 -174.53 37.97 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.006 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.748 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 17.2 ptp180 -55.22 -8.44 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.22 -1.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.58 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -46.67 132.49 11.0 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.439 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 21.0 mmt -130.44 -27.1 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.875 -178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 24.8 t -123.9 156.3 36.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.2 0.524 . . . . 0.0 111.117 -170.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.22 163.94 15.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.52 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.558 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -78.41 127.58 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.384 0.611 . . . . 0.0 110.195 176.648 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 6.0 t -79.67 121.64 25.56 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 165.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.12 -52.52 0.83 Allowed Glycine 0 CA--C 1.501 -0.796 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -170.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.446 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 14.4 p -140.5 143.57 35.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 169.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -105.99 29.06 7.02 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.75 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.524 ' HG3' HG11 ' A' ' 521' ' ' VAL . 18.4 ptmt -95.28 -19.83 19.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 520' ' ' LYS . 27.6 m -120.91 159.52 22.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.891 -0.505 . . . . 0.0 110.657 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.74 143.52 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.06 178.59 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.577 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.813 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.9 p -118.27 -18.75 9.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.09 0.471 . . . . 0.0 110.175 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.9 m -148.85 161.3 42.11 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.8 m -67.19 -26.65 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.27 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.938 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.09 -35.78 81.88 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.558 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.8 tp60 -59.33 -48.48 81.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -73.62 -31.67 63.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.272 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 531' ' ' LYS . 14.4 tmtt? -71.85 -42.85 66.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.643 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.91 -14.49 62.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.425 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 65.8 t-105 -57.64 -26.64 61.9 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.65 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -62.3 -36.31 81.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 33.8 t70 -93.68 -39.24 10.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.701 1.239 . . . . 0.0 109.734 169.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.546 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 67.3 t60 -64.98 -32.29 73.94 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.509 -168.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -59.91 -35.66 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.651 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.493 ' CE1' HG23 ' A' ' 539' ' ' ILE . 15.8 p80 -78.47 -22.29 47.75 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.952 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.493 HG23 ' CE1' ' A' ' 538' ' ' HIS . 0.5 OUTLIER -90.74 -46.5 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.849 179.023 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.48 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.9 t -53.44 121.27 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.754 0.788 . . . . 0.0 111.394 -175.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 149.26 -31.81 1.16 Allowed Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.338 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -88.6 150.83 22.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.867 -0.667 . . . . 0.0 110.042 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 23.8 m -126.08 -40.54 2.0 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.089 0.471 . . . . 0.0 110.413 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.403 178.598 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.299 -0.32 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -108.63 -64.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 50.4 mtt -148.69 33.55 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.459 0.647 . . . . 0.0 110.216 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -89.91 -10.51 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.957 0.884 . . . . 0.0 108.621 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.447 ' HG2' ' HB2' ' A' ' 511' ' ' ALA . 0.2 OUTLIER -136.66 159.7 41.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.226 -179.226 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.658 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 34.8 m -129.29 133.76 47.62 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.849 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.29 124.17 19.47 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.54 -18.07 19.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.421 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.28 -33.05 10.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.506 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -121.56 -83.85 0.66 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.085 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -165.87 -176.19 37.01 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.481 -174.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.658 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 39.5 mtp180 -54.21 -10.07 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.57 -0.91 0.47 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.598 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -44.96 113.83 0.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.447 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 53.8 ttp -121.99 -20.09 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.047 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 16.7 m -123.12 146.41 47.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.436 0.636 . . . . 0.0 111.752 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -112.53 165.8 11.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.388 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.02 124.99 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.418 0.628 . . . . 0.0 110.248 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 14.6 m -78.68 120.54 23.5 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 167.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.35 -49.1 0.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.391 -0.909 . . . . 0.0 111.465 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.6 p -141.66 150.22 41.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -119.71 31.37 6.59 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.055 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.504 ' HG3' HG11 ' A' ' 521' ' ' VAL . 17.6 ptpt -87.28 -30.11 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.504 HG11 ' HG3' ' A' ' 520' ' ' LYS . 33.4 m -121.87 158.7 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.3 149.15 52.12 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.505 0.669 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' A' ' 529' ' ' GLN . 89.3 m-85 -123.68 -172.13 2.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.826 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.849 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 12.0 p -121.18 -17.41 7.73 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.056 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 72.1 m -154.13 163.92 39.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 39.6 m -67.8 -24.93 65.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.705 0.288 . . . . 0.0 110.847 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.623 ' HD2' ' CD1' ' A' ' 527' ' ' PHE . 75.3 t80 -61.47 -49.46 76.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.266 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.57 78.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.215 0.531 . . . . 0.0 109.899 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.426 ' HA ' ' CE1' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -63.85 -49.07 74.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.698 -179.785 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.81 -29.73 64.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.064 0.459 . . . . 0.0 111.039 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -71.15 -42.17 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.24 0.543 . . . . 0.0 110.044 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.32 -13.14 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.578 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 68.8 t-105 -59.79 -26.44 65.73 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.609 -172.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.415 ' HA ' HE21 ' A' ' 537' ' ' GLN . 99.1 mttt -63.61 -35.35 80.21 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.103 -0.373 . . . . 0.0 111.096 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.462 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 26.1 t70 -93.0 -37.0 12.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.433 1.111 . . . . 0.0 109.603 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.578 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.3 t60 -67.87 -32.64 73.29 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.395 -170.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.3 pt20 -59.8 -35.33 74.46 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 17.4 p80 -81.47 -20.74 39.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.436 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.9 OUTLIER -92.02 -44.05 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.165 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.468 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.9 t -54.05 122.07 9.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.586 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 148.07 -61.86 0.44 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.979 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -155.27 -178.3 7.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -174.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.9 m -133.95 -23.33 1.77 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.087 0.47 . . . . 0.0 110.467 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.717 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 112.362 -0.295 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -164.67 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.314 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 23.6 mmt -114.84 95.43 5.22 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -91.8 -7.47 49.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.776 -173.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.498 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 8.2 pt20 -134.54 155.59 50.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.546 -176.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.2 m -120.26 125.94 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.755 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 37.9 t -61.38 124.5 20.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.684 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.87 -20.31 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.404 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -93.46 -42.21 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.755 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 p -120.7 -70.84 0.76 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 119.126 -1.03 . . . . 0.0 112.023 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -178.46 -156.17 16.23 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.444 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -7.87 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.83 -4.62 4.6 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.005 0.366 . . . . 0.0 111.847 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.755 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -51.06 148.38 4.44 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 56.8 ttp -166.9 -27.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.179 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.1 m -122.56 155.57 36.0 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.558 0.218 . . . . 0.0 110.607 -173.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -120.97 155.56 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.566 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.52 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -70.77 127.54 33.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.546 0.688 . . . . 0.0 110.362 177.107 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 m -77.5 120.42 22.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 165.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.42 -53.53 0.8 Allowed Glycine 0 C--N 1.31 -0.899 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.512 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 12.7 p -138.84 144.32 39.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -114.64 37.92 3.27 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.36 0.6 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.513 ' HG3' HG11 ' A' ' 521' ' ' VAL . 6.4 ptpp? -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.346 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.513 HG11 ' HG3' ' A' ' 520' ' ' LYS . 30.9 m -127.76 160.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -177.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.6 153.33 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.459 0.647 . . . . 0.0 110.688 177.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.426 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 92.6 m-85 -124.89 -171.6 2.39 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.372 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.0 p -107.44 -44.42 4.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.854 0.835 . . . . 0.0 109.224 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 47.9 t -145.89 168.14 21.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.506 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 12.9 m -60.93 -24.33 65.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.282 . . . . 0.0 111.402 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.57 -50.54 73.49 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.258 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.0 -35.32 80.26 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.406 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.52 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.9 tp60 -58.99 -48.47 81.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.185 0.517 . . . . 0.0 110.002 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -73.47 -31.17 63.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.151 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -73.69 -42.9 60.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.02 -14.79 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -58.79 -27.27 64.86 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.637 -176.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -63.85 -33.24 75.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.949 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.464 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 14.9 t70 -94.0 -40.59 10.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.622 1.201 . . . . 0.0 109.438 170.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.546 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.8 t60 -64.53 -32.02 73.48 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.138 -168.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -60.95 -33.24 72.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.796 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 13.5 p80 -80.83 -21.0 41.18 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.738 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.506 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.95 -47.34 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.891 178.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.506 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.8 t -54.71 120.67 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.564 0.697 . . . . 0.0 110.689 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 138.33 -24.02 2.96 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.582 -175.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -85.83 150.77 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 40.4 t 57.03 55.92 5.69 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.247 0.546 . . . . 0.0 110.276 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.225 -179.756 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 63.71 22.31 13.05 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.006 0.431 . . . . 0.0 111.217 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 65.9 mtt -134.46 18.84 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.426 0.631 . . . . 0.0 109.628 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -106.34 -4.84 19.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.229 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.4 149.67 48.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.658 -1.156 . . . . 0.0 109.674 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.593 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 41.7 m -117.72 131.3 56.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.68 ' N ' ' HB1' ' A' ' 511' ' ' ALA . 45.5 t -60.56 123.38 17.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 14.4 p -65.32 -20.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.837 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 12.5 t30 -96.58 -34.85 11.28 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.736 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.5 p -127.12 -75.08 0.58 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.95 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -163.1 -175.85 34.54 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 119.542 -1.313 . . . . 0.0 114.288 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.593 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 96.3 mtt180 -53.8 -9.97 0.27 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -61.87 0.62 0.35 Allowed 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 122.669 0.388 . . . . 0.0 111.886 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.68 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -46.49 163.79 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.5 ttt -178.44 -28.21 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.064 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 10.7 t -119.87 155.09 33.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.011 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -124.87 162.77 23.64 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -172.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 126.05 29.31 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.442 0.639 . . . . 0.0 109.996 174.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.2 m -79.58 121.0 24.7 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 166.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.9 -50.75 0.88 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.583 ' HB2' ' HZ1' ' A' ' 520' ' ' LYS . 10.1 p -142.5 144.72 33.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 170.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -114.77 37.9 3.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.605 0.716 . . . . 0.0 109.912 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.583 ' HZ1' ' HB2' ' A' ' 518' ' ' CYS . 4.7 ptpp? -94.3 -21.36 19.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.486 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' A' ' 520' ' ' LYS . 29.5 m -120.79 160.01 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 110.666 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.78 145.8 51.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.533 0.682 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.642 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 85.1 m-85 -126.2 -169.14 1.96 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.566 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 31.9 p -112.63 -41.62 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.395 0.616 . . . . 0.0 109.477 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.0 p -139.14 172.11 13.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.897 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 26.6 m -67.76 -25.96 65.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 0.0 110.345 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.609 ' HD2' ' CD1' ' A' ' 527' ' ' PHE . 60.7 t80 -60.72 -50.47 73.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.374 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 58.4 m -65.45 -35.06 79.79 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.165 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -48.39 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.29 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -73.34 -31.16 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -70.55 -42.92 70.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.06 -12.98 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.912 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.512 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 73.3 t-105 -59.37 -26.89 65.47 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.79 -176.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.53 -36.53 78.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.041 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.498 ' O ' HG21 ' A' ' 539' ' ' ILE . 28.7 t70 -93.41 -38.77 11.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.529 1.157 . . . . 0.0 109.558 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -66.5 -31.71 72.61 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.176 -168.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -61.46 -36.21 79.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.716 -0.393 . . . . 0.0 112.006 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.6 p80 -78.94 -18.67 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.242 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.498 HG21 ' O ' ' A' ' 535' ' ' ASP . 0.6 OUTLIER -93.67 -45.6 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.95 178.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.49 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.93 120.38 6.28 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.816 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 140.95 -28.99 2.36 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.66 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -78.65 150.55 32.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 47.7 m -112.9 -46.77 3.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.595 0.236 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.189 -179.413 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -157.84 -9.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 27.1 ttt -157.38 -25.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.546 -0.462 . . . . 0.0 112.022 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.458 ' H ' ' CD ' ' A' ' 501' ' ' GLU . 1.6 pm0 -77.87 -3.96 44.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.413 HE21 ' HB3' ' A' ' 502' ' ' GLN . 0.0 OUTLIER -137.44 151.89 48.99 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.661 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.652 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 3.7 p -128.79 134.49 48.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.765 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.3 t -59.73 124.19 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.12 -15.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.834 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -101.14 -28.99 12.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.5 m -128.99 -86.06 0.55 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.4 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -167.62 -171.15 33.29 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.44 -174.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.652 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 98.0 mtt180 -54.25 -10.36 0.37 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.56 -0.83 1.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.885 0.374 . . . . 0.0 111.965 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -44.88 119.89 2.13 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.467 178.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 25.2 ttt -127.03 -21.46 3.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.753 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 40.8 m -123.01 144.93 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.384 0.611 . . . . 0.0 111.157 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.65 162.89 14.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.392 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.46 121.64 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.405 0.621 . . . . 0.0 109.658 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.4 m -78.78 118.71 21.1 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 165.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.92 -56.85 0.73 Allowed Glycine 0 C--N 1.311 -0.851 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -167.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.495 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 11.9 p -141.48 145.28 35.02 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 170.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -109.9 28.51 8.52 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.532 ' HG3' HG11 ' A' ' 521' ' ' VAL . 13.5 ptmm? -86.36 -20.1 28.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.793 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.532 HG11 ' HG3' ' A' ' 520' ' ' LYS . 36.0 m -132.97 160.11 42.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.949 0.404 . . . . 0.0 110.163 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.33 153.34 47.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -126.82 179.88 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.305 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.765 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.1 p -120.76 -8.5 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.167 -176.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 82.8 p -152.96 164.16 38.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.2 m -67.81 -28.14 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.35 0.595 . . . . 0.0 109.468 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 527' ' ' PHE . 76.0 t80 -62.01 -47.94 82.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.088 176.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.54 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 35.7 m -59.97 -36.6 77.5 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.46 -47.97 83.81 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.776 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -72.23 -37.5 69.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.752 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -69.28 -37.33 77.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.596 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . 0.752 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 26.2 t70 -72.88 -14.16 61.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.676 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -57.79 -30.8 65.97 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.644 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -58.26 -42.29 86.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.311 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.433 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 11.3 m-20 -93.08 -36.12 12.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.107 0.956 . . . . 0.0 110.243 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -67.42 -34.7 77.78 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.509 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -58.94 -35.24 72.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.896 -175.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 16.4 p80 -82.03 -22.73 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.076 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 535' ' ' ASP . 1.0 OUTLIER -89.05 -45.42 15.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.251 178.361 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.422 ' H ' HG13 ' A' ' 539' ' ' ILE . 11.0 t -52.41 121.79 7.62 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.726 -178.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 143.35 -35.56 1.64 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.723 -177.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.02 85.57 3.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.975 0.417 . . . . 0.0 110.494 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 21.6 m -147.49 141.86 26.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.863 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.072 178.834 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . 0.542 ' HA3' ' HE3' ' A' ' 512' ' ' MET . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 65.76 -174.26 0.18 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 122.815 0.446 . . . . 0.0 110.364 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 65.8 mtt -130.47 38.78 3.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.368 0.604 . . . . 0.0 110.353 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -81.58 -39.29 24.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.261 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.473 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 7.4 pt20 -133.95 153.4 51.79 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.698 -171.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.8 p -118.93 125.32 49.18 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.666 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 42.1 t -60.63 125.84 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.29 -18.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.983 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -101.35 -24.95 14.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.055 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . 0.662 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 69.2 m -120.53 -82.29 0.65 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -171.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . 165.49 -149.7 16.41 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -53.38 -10.4 0.23 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.36 3.94 0.83 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 123.794 0.838 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.666 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -71.74 170.69 13.03 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.097 -0.377 . . . . 0.0 110.929 -166.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.542 ' HE3' ' HA3' ' A' ' 498' ' ' GLY . 44.1 tpp -173.45 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.428 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 39.9 m -119.83 145.54 46.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -113.75 164.03 14.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.093 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.471 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -76.38 125.78 29.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.937 174.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 3.7 t -79.4 120.58 24.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.33 -54.96 0.77 Allowed Glycine 0 C--N 1.31 -0.867 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 11.2 p -143.39 144.91 32.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -114.34 33.0 5.55 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.486 ' HG3' HG11 ' A' ' 521' ' ' VAL . 9.5 ptmm? -87.63 -16.59 34.01 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.272 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.486 HG11 ' HG3' ' A' ' 520' ' ' LYS . 31.2 m -129.77 161.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.09 146.56 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 0.0 111.232 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 28.5 m-85 -125.87 -170.83 2.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.638 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 21.8 p -113.97 -37.8 4.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.318 0.58 . . . . 0.0 109.446 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.2 p -142.7 165.01 28.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.25 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.9 m -64.73 -22.8 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -59.77 -49.68 76.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.796 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.65 -35.46 80.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.852 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' ' 515' ' ' CYS . 37.1 tp60 -59.03 -48.5 81.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.063 0.459 . . . . 0.0 110.022 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -73.06 -30.24 63.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.24 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.27 -42.38 88.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.558 . . . . 0.0 110.5 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.71 -11.87 59.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.944 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.477 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 70.9 t-105 -60.37 -29.48 68.95 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -170.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.412 ' HA ' HE21 ' A' ' 537' ' ' GLN . 96.0 mttt -69.33 -28.28 66.1 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.96 -175.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.505 ' O ' HG21 ' A' ' 539' ' ' ILE . 0.8 OUTLIER -93.61 -38.4 11.37 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 122.479 1.133 . . . . 0.0 109.439 171.162 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.2 t60 -67.07 -33.17 74.91 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.599 -173.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . 0.422 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 9.8 pt20 -61.15 -33.44 73.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -175.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.1 p80 -81.62 -21.4 38.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.14 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.505 HG21 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -91.72 -45.21 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.826 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.503 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.3 t -53.04 121.45 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.032 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 136.04 -18.83 3.73 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.258 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -84.98 87.2 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.621 0.248 . . . . 0.0 110.542 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.7 m -60.59 98.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.592 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.401 179.783 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 67.81 45.57 1.4 Allowed 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.193 0.597 . . . . 0.0 110.917 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' MET . . . . . 0.643 ' HA ' ' HB2' ' A' ' 509' ' ' ARG . 34.5 mtm -150.97 -11.98 0.22 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.004 174.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' ' 501' ' ' GLU . 1.0 OUTLIER -81.6 -15.59 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.616 -173.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.503 ' HG2' ' HB1' ' A' ' 511' ' ' ALA . 0.7 OUTLIER -137.72 147.59 44.91 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.4 p -120.87 128.61 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.161 0.505 . . . . 0.0 112.158 -174.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.727 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 41.9 t -64.59 129.21 38.99 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 175.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -21.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.764 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -99.25 -29.22 12.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.73 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 62.8 m -121.07 -49.23 2.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -167.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . 128.14 -150.73 18.53 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.586 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.643 ' HB2' ' HA ' ' A' ' 500' ' ' MET . 13.3 ptp180 -53.09 -12.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -175.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.23 -4.34 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.727 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -50.73 150.79 2.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 47.0 ttm -153.92 -27.86 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.335 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.6 t -122.87 155.53 36.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.521 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -117.16 163.48 16.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.49 124.27 27.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.742 174.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 60.5 m -77.67 120.16 22.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.57 -59.8 0.68 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -168.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.7 p -134.72 144.15 47.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.57 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -112.16 32.57 5.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.06 0.457 . . . . 0.0 110.077 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -86.82 -28.87 22.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.14 157.81 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.45 152.09 47.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.34 0.59 . . . . 0.0 110.757 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.635 ' HD1' ' CD2' ' A' ' 523' ' ' TYR . 90.8 m-85 -125.67 -172.56 2.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.956 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 25.0 p -108.87 -37.46 5.85 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 6.0 p -145.4 171.78 14.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.146 -177.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -62.26 -29.95 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.662 ' HD1' ' CD2' ' A' ' 527' ' ' PHE . 34.5 t80 -59.92 -49.21 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.133 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 67.6 m -65.78 -35.05 79.6 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.854 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -60.65 -49.33 77.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 109.892 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 530' ' ' ARG . 22.1 mmt180 -72.54 -32.47 66.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.092 -177.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.853 ' HZ1' ' HB3' ' A' ' 531' ' ' LYS . 0.0 OUTLIER -69.7 -41.74 74.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.303 178.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.91 -13.28 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.603 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 67.7 t-105 -58.27 -30.81 66.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.093 -173.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 119.721 -0.18 . . . . 0.0 111.349 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.462 ' O ' HG21 ' A' ' 539' ' ' ILE . 29.1 t70 -93.0 -37.84 11.97 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.342 1.068 . . . . 0.0 109.663 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -67.23 -32.63 73.79 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.411 -170.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -59.84 -38.16 81.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -79.67 -21.7 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.984 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.04 -44.92 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.342 178.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.451 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.4 t -53.07 121.77 8.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.395 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 144.54 -31.42 1.79 Allowed Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.283 -175.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 66.58 -79.97 0.03 OUTLIER 'General case' 0 C--N 1.339 0.111 0 C-N-CA 123.912 0.885 . . . . 0.0 111.517 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.7 p -84.2 64.41 8.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.361 0.601 . . . . 0.0 110.885 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.173 178.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.957 -0.457 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -106.56 125.56 51.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.01 0.434 . . . . 0.0 111.601 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -151.45 18.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 110.02 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -103.27 -1.27 29.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.183 -175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.534 ' HG2' ' HB1' ' A' ' 511' ' ' ALA . 0.5 OUTLIER -144.22 146.92 32.98 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.393 -175.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 75.4 m -125.55 137.92 53.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.132 0.491 . . . . 0.0 112.08 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.6 t -60.07 127.72 33.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.98 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.06 -11.92 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -104.5 -31.42 9.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.69 -86.35 0.65 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -176.6 -158.95 21.22 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.479 -0.867 . . . . 0.0 113.221 -174.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 509' ' ' ARG . 14.9 mtp180 -51.66 -11.61 0.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -173.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' A' ' 512' ' ' MET . 20.7 tt0 -67.21 -1.87 5.04 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.665 0.269 . . . . 0.0 111.372 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.642 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -49.62 115.78 1.5 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.202 0.525 . . . . 0.0 112.293 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 25.6 mmt -123.27 -22.68 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.695 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.9 m -123.93 152.79 42.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 111.451 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -111.65 164.19 13.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.17 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.539 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.4 t -76.62 126.94 31.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.398 0.618 . . . . 0.0 109.901 173.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.8 m -77.56 120.51 22.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.51 -52.15 0.84 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.158 -171.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.4 p -136.77 146.05 45.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -109.8 25.64 11.56 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.193 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 520' ' ' LYS . 14.4 ptpt -87.3 -27.11 23.07 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.978 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 30.8 m -127.54 156.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.028 -0.42 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.69 153.11 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 111.396 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.642 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 89.8 m-85 -125.45 -178.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.459 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 8.9 p -117.63 -25.53 6.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.089 0.471 . . . . 0.0 110.032 -177.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.2 m -143.87 162.34 36.36 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 28.7 m -66.48 -27.12 67.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.108 0.48 . . . . 0.0 110.146 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -60.08 -48.17 82.85 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.071 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.69 0.281 . . . . 0.0 110.308 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.539 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.3 tp60 -59.63 -48.93 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.345 0.593 . . . . 0.0 110.05 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -73.87 -35.16 64.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.496 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -65.47 -43.61 89.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.126 0.489 . . . . 0.0 110.957 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.67 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.448 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -59.95 -26.07 65.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.162 -174.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.401 ' HA ' HE21 ' A' ' 537' ' ' GLN . 55.3 mttp -68.7 -32.81 72.88 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.62 -175.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 1.8 t0 -93.51 -37.31 11.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.484 1.135 . . . . 0.0 109.435 170.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.4 t60 -67.69 -33.09 74.22 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.922 -170.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . 0.401 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.4 pt20 -58.4 -38.01 76.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.9 p80 -79.04 -22.47 45.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.893 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.532 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -87.77 -45.88 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.316 -0.553 . . . . 0.0 109.875 178.658 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.532 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.5 t -55.28 121.3 8.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.598 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 144.4 -20.71 2.06 Favored Glycine 0 CA--C 1.501 -0.81 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.528 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -70.97 145.93 49.75 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.751 -0.725 . . . . 0.0 109.792 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.8 t -112.81 -0.68 14.87 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.68 0.753 . . . . 0.0 109.081 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.706 178.507 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.026 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -75.35 74.31 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.266 0.555 . . . . 0.0 110.391 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' MET . . . . . 0.522 ' SD ' ' HD3' ' A' ' 509' ' ' ARG . 55.7 mtm -82.72 59.63 4.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.052 -175.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.465 ' HG3' ' HG2' ' A' ' 502' ' ' GLN . 6.5 pt-20 -79.26 -20.05 49.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.783 0.802 . . . . 0.0 110.262 176.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.465 ' HG2' ' HG3' ' A' ' 501' ' ' GLU . 5.7 pt20 -132.12 162.26 31.28 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.734 -172.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 8.4 p -128.62 128.67 44.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.689 0.28 . . . . 0.0 110.254 177.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.7 t -60.63 123.09 16.4 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.06 -14.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.938 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -99.91 -34.43 10.13 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.095 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -122.03 -83.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -173.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.432 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.41 -170.39 33.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.873 -175.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.522 ' HD3' ' SD ' ' A' ' 500' ' ' MET . 4.1 ppt_? -53.48 -7.81 0.12 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.07 -2.95 1.45 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.509 0.323 . . . . 0.0 111.665 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.642 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -50.66 154.34 1.4 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.6 ptp -165.65 -20.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.032 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.2 m -124.04 154.57 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.909 -0.495 . . . . 0.0 110.856 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -115.32 154.81 28.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.758 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.533 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.37 125.8 29.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.552 177.099 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.8 m -76.93 121.09 22.95 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 134.32 -32.03 2.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.9 p -145.13 177.17 8.98 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 170.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -129.51 28.83 5.14 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 164.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.563 ' HG2' HG12 ' A' ' 521' ' ' VAL . 3.0 ttmm -90.51 -30.08 17.5 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.942 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.563 HG12 ' HG2' ' A' ' 520' ' ' LYS . 34.1 m -118.59 160.13 18.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 121.215 0.531 . . . . 0.0 111.487 -175.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.1 143.02 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 -178.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.661 ' HD1' ' CD2' ' A' ' 523' ' ' TYR . 98.0 m-85 -125.51 178.88 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.773 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.828 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 4.9 p -120.46 -13.26 8.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 109.896 -176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.43 ' HG ' ' C ' ' A' ' 524' ' ' CYS . 19.8 m -154.77 163.67 39.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.8 m -71.29 -28.14 63.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.429 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.612 ' HE2' ' CE1' ' A' ' 527' ' ' PHE . 65.2 t80 -59.8 -47.21 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.797 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.48 -36.39 83.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 110.268 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.533 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.8 OUTLIER -56.09 -48.78 75.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.124 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -73.38 -29.49 62.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.484 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.5 -43.25 60.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 110.518 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -74.88 -12.61 60.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.938 0.399 . . . . 0.0 111.074 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -58.12 -30.11 66.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.723 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -59.18 -38.52 80.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.354 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 24.9 t70 -92.56 -41.15 10.39 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.488 1.137 . . . . 0.0 109.845 173.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -65.53 -31.84 73.11 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.033 -169.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -60.19 -34.93 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 112.059 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.3 p80 -79.16 -20.37 48.65 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.861 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.529 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -93.36 -45.61 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.649 178.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.529 ' N ' HG13 ' A' ' 539' ' ' ILE . 13.2 t -55.05 121.57 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.385 0.612 . . . . 0.0 111.293 -177.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 110.41 -11.35 30.85 Favored Glycine 0 C--N 1.316 -0.566 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.753 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -81.15 -82.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.8 t -104.71 151.88 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . 0.428 ' HA ' ' HE2' ' A' ' 520' ' ' LYS . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.279 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . 0.428 ' HA2' ' HE2' ' A' ' 512' ' ' MET . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 501' ' ' GLU . . . -61.89 -57.49 11.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.733 0.301 . . . . 0.0 110.772 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' MET . . . . . 0.505 ' HA ' ' HB2' ' A' ' 509' ' ' ARG . 66.8 mtt 68.15 -14.22 0.25 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.911 173.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 499' ' ' ALA . 7.5 pt-20 -68.96 -20.63 64.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.386 0.612 . . . . 0.0 110.439 176.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 7.3 pt20 -138.55 154.07 48.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.205 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 5.5 p -121.2 129.2 53.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.888 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.718 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 43.1 t -59.14 123.15 15.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.35 -18.11 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.522 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -97.98 -30.8 12.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 8.7 m -122.44 -82.94 0.65 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.421 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -179.99 -162.46 28.91 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.048 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.505 ' HB2' ' HA ' ' A' ' 500' ' ' MET . 32.6 ptt180 -54.69 -8.24 0.23 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -174.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 512' ' ' MET . 10.4 tp10 -67.4 -2.01 5.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.683 0.278 . . . . 0.0 111.078 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.718 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -48.3 137.99 10.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.293 0.568 . . . . 0.0 112.333 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 23.6 mmt -143.49 -28.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.12 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.0 m -123.41 155.28 37.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -171.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.09 164.62 16.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.92 123.68 28.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.24 175.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.3 m -80.07 120.41 24.19 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 167.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.85 -57.78 0.72 Allowed Glycine 0 C--N 1.312 -0.786 0 C-N-CA 120.314 -0.946 . . . . 0.0 110.813 -168.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.647 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 9.3 p -135.53 144.33 46.22 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -113.75 35.05 4.24 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.647 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 18.0 ptpt -86.88 -25.77 24.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.429 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.555 HG11 ' HG3' ' A' ' 520' ' ' LYS . 20.1 m -128.05 163.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 0.0 111.319 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.51 147.96 52.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.817 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.651 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 97.4 m-85 -123.56 -174.63 3.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.567 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 7.6 p -124.8 4.23 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.167 0.508 . . . . 0.0 110.064 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 79.4 p -170.25 162.01 8.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 16.2 m -69.31 -24.46 63.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 109.925 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.671 ' HE1' ' CE2' ' A' ' 527' ' ' PHE . 55.8 t80 -63.35 -48.72 76.79 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.79 176.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 55.6 m -58.67 -35.89 73.29 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.939 0.399 . . . . 0.0 109.95 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -48.45 78.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.649 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -71.59 -30.48 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.081 0.467 . . . . 0.0 111.279 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -71.73 -42.55 67.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.55 -13.47 60.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.789 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.523 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 74.1 t-105 -58.5 -26.11 63.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.407 -173.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.401 ' HA ' HE21 ' A' ' 537' ' ' GLN . 48.8 mttp -68.88 -30.94 69.55 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.119 -0.363 . . . . 0.0 111.266 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 4.7 t0 -94.47 -37.9 11.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.798 1.285 . . . . 0.0 109.043 170.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.523 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.64 -33.89 76.66 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.472 -170.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . 0.401 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.3 pt20 -58.68 -36.87 74.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.0 p80 -82.69 -20.01 36.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.233 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 540' ' ' CYS . 1.0 OUTLIER -91.8 -42.16 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.138 0.495 . . . . 0.0 110.59 178.037 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.434 ' N ' HG13 ' A' ' 539' ' ' ILE . 18.7 t -51.48 121.49 6.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.117 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 157.97 -84.29 0.13 Allowed Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.05 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.14 162.24 35.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 50.9 m -153.1 135.35 14.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.351 178.15 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -88.37 129.44 35.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.762 0.315 . . . . 0.0 110.248 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' MET . . . . . 0.434 ' HA ' ' HD2' ' A' ' 509' ' ' ARG . 89.4 mtp -85.54 10.5 12.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 -176.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.67 -26.93 20.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.472 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 3.2 pt20 -136.02 160.22 39.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.527 -170.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.1 p -129.12 130.9 47.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.531 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.719 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.18 125.51 23.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.27 -17.84 20.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.619 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -98.73 -28.48 13.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.365 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 13.0 m -122.78 -82.92 0.65 Allowed 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 176.05 -156.46 21.49 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.576 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 500' ' ' MET . 3.6 tpp180 -53.05 -8.7 0.11 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.7 -4.07 8.06 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 122.364 -0.21 . . . . 0.0 111.485 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.702 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -47.67 149.58 1.2 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.8 ttm -162.18 -28.55 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.471 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 37.8 m -118.63 138.31 52.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.585 0.707 . . . . 0.0 110.803 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.31 162.07 14.43 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.108 -175.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.451 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -73.35 127.59 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.441 0.639 . . . . 0.0 110.55 174.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 120.5 23.01 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 162.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.45 -57.61 0.72 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -139.94 145.48 37.98 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -113.06 32.46 5.71 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.577 ' HG3' HG11 ' A' ' 521' ' ' VAL . 12.9 ptmm? -87.72 -25.6 23.36 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.472 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.577 HG11 ' HG3' ' A' ' 520' ' ' LYS . 14.0 m -122.31 159.61 25.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.008 0.432 . . . . 0.0 110.943 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.97 144.87 51.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.332 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.648 ' HE1' ' CE2' ' A' ' 523' ' ' TYR . 34.0 m-85 -125.53 -174.98 3.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.148 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.719 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.2 p -121.89 -9.13 8.83 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.265 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 48.2 t -161.57 162.36 30.13 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.048 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 57.7 m -67.41 -25.16 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.097 0.475 . . . . 0.0 110.193 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.594 ' HD1' ' CD2' ' A' ' 527' ' ' PHE . 71.9 t80 -61.08 -48.94 79.37 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.738 177.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.7 m -64.4 -35.32 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.352 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.453 ' HA ' ' CE2' ' A' ' 523' ' ' TYR . 36.6 tp60 -60.63 -48.16 83.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.745 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 41.1 ttp-105 -72.12 -31.96 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.465 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -70.18 -42.28 72.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.422 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.4 -11.52 60.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.117 0.484 . . . . 0.0 111.161 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.2 t-105 -60.04 -26.53 66.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.848 -171.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -68.4 -31.7 71.23 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 122.131 -0.356 . . . . 0.0 110.738 -176.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.47 ' O ' HG21 ' A' ' 539' ' ' ILE . 37.0 m-20 -94.39 -35.2 12.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.803 0.811 . . . . 0.0 110.09 171.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 55.1 t60 -67.41 -34.4 77.17 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.684 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -60.23 -34.75 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.997 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.7 p80 -81.54 -22.11 38.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.334 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.47 HG21 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.24 -44.79 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.628 178.648 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.454 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.0 t -53.14 122.23 9.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.362 -177.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 125.69 8.49 5.24 Favored Glycine 0 C--N 1.319 -0.395 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.499 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 63.89 -149.79 0.31 Allowed 'General case' 0 C--O 1.233 0.234 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.7 m -118.18 -60.28 1.81 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.054 0.454 . . . . 0.0 110.462 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.245 -177.056 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -130.18 19.69 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -148.38 11.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.119 0.485 . . . . 0.0 109.799 175.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -75.87 -32.47 59.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.554 0.692 . . . . 0.0 110.091 -175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.487 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 9.1 pt20 -136.3 158.69 43.82 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.186 176.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 7.9 p -127.85 126.3 41.36 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.682 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 41.9 t -60.27 122.75 15.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.42 -16.04 15.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.741 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -100.85 -26.75 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.5 m -122.94 -80.89 0.63 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.429 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 173.31 -153.86 18.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.533 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -51.25 -13.35 0.18 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.59 -1.69 9.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.739 0.305 . . . . 0.0 111.802 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.682 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -48.86 139.56 9.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 112.586 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.46 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 64.7 mtt -149.38 -27.66 0.27 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.959 -177.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.9 t -122.28 155.04 36.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.118 0.485 . . . . 0.0 110.226 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -123.91 163.87 20.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -172.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.589 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.63 126.69 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.567 0.699 . . . . 0.0 110.579 173.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 1.8 t -77.58 120.02 21.95 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.782 164.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.18 -51.89 0.84 Allowed Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.555 ' HB2' ' NZ ' ' A' ' 520' ' ' LYS . 9.1 p -145.36 145.61 31.25 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.892 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -113.65 29.98 7.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.281 0.563 . . . . 0.0 109.586 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.555 ' NZ ' ' HB2' ' A' ' 518' ' ' CYS . 4.8 ptpp? -87.02 -21.09 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.738 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.503 HG11 ' HG3' ' A' ' 520' ' ' LYS . 27.2 m -125.83 158.35 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.15 146.51 52.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.541 0.686 . . . . 0.0 111.568 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.65 ' HE2' ' CE1' ' A' ' 523' ' ' TYR . 73.7 m-85 -124.6 -173.69 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.11 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.4 p -120.86 -14.36 8.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.183 0.516 . . . . 0.0 109.895 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 40.2 t -157.12 160.77 39.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 56.9 m -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.063 0.459 . . . . 0.0 110.219 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.88 -49.14 78.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.615 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -64.4 -35.12 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.165 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.589 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.57 -48.95 79.21 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.035 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -73.15 -30.98 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.32 -41.78 89.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.114 0.483 . . . . 0.0 109.827 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -78.72 -11.7 59.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.427 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -58.59 -29.27 66.31 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -172.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.62 -42.83 79.46 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 122.346 0.258 . . . . 0.0 110.896 177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.542 ' O ' HG21 ' A' ' 539' ' ' ILE . 24.0 t70 -92.25 -36.56 13.17 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.204 1.002 . . . . 0.0 109.812 176.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.9 t60 -68.01 -33.02 73.82 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.205 -170.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -58.44 -38.54 77.7 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.794 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.4 p80 -80.03 -22.7 42.1 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.398 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.542 HG21 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -88.32 -43.82 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.236 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.506 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.96 120.83 6.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 123.4 -6.51 9.21 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.355 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -79.14 150.27 31.78 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 66.6 m 62.14 43.64 8.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.417 0.627 . . . . 0.0 110.767 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.568 178.061 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -149.83 -73.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 22.8 ptp -78.2 10.72 2.77 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.605 -174.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -82.73 -12.33 57.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.473 0.654 . . . . 0.0 109.534 174.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.547 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 8.6 pt20 -134.39 165.14 25.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.38 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 55.5 p -129.08 123.77 33.1 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.368 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.715 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 49.3 t -60.55 122.59 15.05 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.3 -15.86 18.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.745 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -97.04 -33.56 11.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.242 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.96 -81.92 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.799 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -174.2 -166.76 32.77 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.04 -1.076 . . . . 0.0 113.552 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.539 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.8 mpt_? -56.0 -8.15 0.41 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.26 0.58 3.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.735 0.302 . . . . 0.0 111.438 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.715 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -46.87 155.19 0.28 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.727 0.775 . . . . 0.0 113.075 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.9 ttt -159.05 -24.54 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.026 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.5 t -121.82 154.98 36.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.29 0.567 . . . . 0.0 110.943 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -123.09 158.43 30.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.695 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.5 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.3 OUTLIER -75.92 128.15 34.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.335 0.588 . . . . 0.0 110.861 178.416 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 m -78.39 120.32 22.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 164.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.64 -52.5 0.83 Allowed Glycine 0 CA--C 1.5 -0.899 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.1 p -144.55 144.03 31.11 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -109.67 30.83 6.3 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.502 ' HG3' HG11 ' A' ' 521' ' ' VAL . 11.1 ptmm? -86.43 -24.4 25.7 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.114 -176.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.502 HG11 ' HG3' ' A' ' 520' ' ' LYS . 29.9 m -124.44 160.32 29.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.83 0.348 . . . . 0.0 110.122 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.44 148.24 51.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.841 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.629 ' HE2' ' CE1' ' A' ' 523' ' ' TYR . 78.2 m-85 -126.7 -173.8 2.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.776 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.0 p -126.66 0.84 6.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.543 . . . . 0.0 110.135 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 37.3 t -167.25 161.08 14.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 17.8 m -64.92 -28.69 69.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.462 . . . . 0.0 110.136 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.594 ' HE2' ' CE1' ' A' ' 527' ' ' PHE . 71.8 t80 -61.13 -48.51 81.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.747 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.5 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.08 -48.63 79.58 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.14 177.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -73.25 -34.01 65.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.336 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -62.3 -42.34 99.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.873 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.32 -12.2 59.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.39 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.514 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -60.32 -26.53 66.62 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -68.49 -31.81 71.34 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.038 -0.414 . . . . 0.0 110.539 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.451 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 39.0 t70 -93.11 -38.1 11.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.592 1.186 . . . . 0.0 109.718 170.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.55 -33.81 76.5 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.372 -1.285 . . . . 0.0 111.012 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -59.09 -34.36 71.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.0 p80 -83.55 -25.43 30.98 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.31 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.8 OUTLIER -86.28 -44.17 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.084 0.469 . . . . 0.0 110.472 179.463 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.446 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.9 t -52.14 122.87 9.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.865 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 119.28 -10.87 11.59 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.245 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -75.95 -17.35 59.77 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 117.465 0.633 . . . . 0.0 110.856 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 21.1 m -114.41 23.94 12.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.103 0.477 . . . . 0.0 110.331 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.166 179.629 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 54.53 27.54 8.55 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.196 0.598 . . . . 0.0 112.486 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 14.1 tpt -174.6 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.494 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.07 -39.56 86.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.027 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.513 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 6.8 pt20 -135.4 152.54 51.51 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -173.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.4 m -116.81 123.01 46.05 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.857 0.36 . . . . 0.0 111.512 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.738 ' N ' ' HB3' ' A' ' 511' ' ' ALA . 42.2 t -59.85 124.98 21.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 175.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.53 -12.34 10.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -104.12 -24.13 13.21 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.126 175.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 39.6 m -121.82 -84.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.107 -0.37 . . . . 0.0 111.93 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . 172.62 -154.24 20.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.017 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -52.51 -9.48 0.11 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -175.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.07 -4.17 19.86 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.738 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -52.93 146.56 10.67 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.3 ttt -145.52 -28.6 0.44 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.46 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 23.0 t -122.3 155.87 35.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.065 0.46 . . . . 0.0 110.633 -167.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -118.01 163.4 16.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.546 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -80.67 127.54 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.595 176.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 4.3 m -79.72 120.72 24.41 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 164.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 132.21 -49.24 0.93 Allowed Glycine 0 C--N 1.313 -0.713 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -170.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 16.7 p -145.01 143.98 30.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -108.58 37.59 2.47 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.321 0.582 . . . . 0.0 109.47 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.538 ' HG3' HG12 ' A' ' 521' ' ' VAL . 12.5 ptmm? -99.17 -24.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.801 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.538 HG12 ' HG3' ' A' ' 520' ' ' LYS . 18.1 m -121.79 162.05 21.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.933 0.397 . . . . 0.0 110.815 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.85 149.94 52.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.155 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.65 ' HD2' ' CD1' ' A' ' 523' ' ' TYR . 88.3 m-85 -125.05 -174.2 2.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.645 -1.161 . . . . 0.0 108.555 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.9 p -117.1 -32.75 4.93 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 13.0 m -138.99 165.27 27.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.239 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -69.14 -25.37 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.084 0.469 . . . . 0.0 110.501 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.618 ' HD1' ' CD2' ' A' ' 527' ' ' PHE . 45.3 t80 -60.23 -47.69 84.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.109 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.509 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 27.1 m -63.97 -35.74 81.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.546 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.78 -48.32 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.898 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -73.1 -35.21 66.55 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.313 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.574 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -72.98 -37.49 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.108 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . 0.574 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 29.7 t70 -70.53 -14.89 62.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 59.5 t-105 -58.69 -26.41 63.83 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.489 -173.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.54 -33.91 76.73 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 122.255 -0.278 . . . . 0.0 111.171 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.481 ' O ' HG21 ' A' ' 539' ' ' ILE . 31.5 t70 -94.18 -37.55 11.51 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.676 1.226 . . . . 0.0 109.517 170.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 72.6 t60 -66.22 -33.14 75.09 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.271 -169.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -58.7 -36.92 75.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 22.8 p80 -80.15 -23.86 40.8 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.934 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -88.07 -44.81 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 110.062 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.493 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.5 t -51.67 122.44 8.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.245 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 149.27 -28.58 1.22 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.748 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -86.87 86.3 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.552 -0.324 . . . . 0.0 110.38 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 46.9 m -99.05 -55.18 2.78 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.161 -179.647 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -82.08 125.4 30.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.713 0.292 . . . . 0.0 110.271 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' MET . . . . . 0.447 ' O ' ' HG3' ' A' ' 509' ' ' ARG . 64.1 mtt -132.36 15.46 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -178.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.466 ' HG3' ' H ' ' A' ' 502' ' ' GLN . 6.7 pt-20 -70.42 -47.61 59.94 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.736 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.466 ' H ' ' HG3' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -61.38 150.58 34.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.109 0.48 . . . . 0.0 110.361 173.722 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.6 m -129.39 136.72 50.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.662 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 43.0 t -61.07 123.43 17.62 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.62 -15.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.983 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -103.16 -25.19 13.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.622 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 33.7 m -122.58 -76.25 0.59 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.429 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 167.37 -153.5 23.04 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.915 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 500' ' ' MET . 44.6 ttt180 -52.0 -12.07 0.2 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.13 -3.17 3.44 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 122.111 -0.368 . . . . 0.0 111.878 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.619 ' HB1' ' N ' ' A' ' 504' ' ' CYS . . . -48.08 141.35 6.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.7 tpt -147.11 -23.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.22 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.0 m -124.32 154.64 39.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.178 0.513 . . . . 0.0 111.187 -175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -114.61 163.02 16.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.504 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.491 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -75.03 124.78 27.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.53 0.681 . . . . 0.0 110.141 175.41 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.3 m -79.92 119.83 23.3 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 164.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.46 -55.84 0.75 Allowed Glycine 0 C--N 1.313 -0.736 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -168.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.618 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 16.7 p -142.13 142.4 32.75 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 168.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -105.48 30.55 5.6 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.186 0.517 . . . . 0.0 109.771 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.618 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 8.6 ptpp? -88.65 -29.77 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.256 -177.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.554 HG11 ' HG3' ' A' ' 520' ' ' LYS . 29.6 m -122.87 158.8 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.054 0.454 . . . . 0.0 110.159 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.59 148.62 52.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.434 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -125.61 -175.47 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.287 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 14.4 p -115.22 -18.88 11.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.232 0.539 . . . . 0.0 109.939 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 163.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.885 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 2.5 m -65.14 -24.85 67.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 0.0 110.982 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -61.53 -49.23 77.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.701 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 63.6 m -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.577 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.491 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 3.3 tp60 -58.01 -47.21 83.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.656 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.74 -37.14 65.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.252 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.701 ' HG3' ' HA ' ' A' ' 528' ' ' CYS . 0.0 OUTLIER -69.74 -36.87 76.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.05 -177.506 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . 0.597 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 34.1 t70 -71.79 -13.58 61.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.955 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 63.9 t-105 -58.48 -27.08 64.1 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.279 -173.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -59.62 -39.15 83.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.199 -0.313 . . . . 0.0 111.319 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.456 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 5.2 t70 -93.48 -38.75 11.25 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.561 1.172 . . . . 0.0 109.124 173.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.515 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 49.7 t60 -64.96 -32.72 74.58 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.283 -170.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -63.97 -31.1 72.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.3 p80 -83.23 -20.77 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.08 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 536' ' ' HIS . 1.0 OUTLIER -92.79 -46.33 14.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.308 178.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.406 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.8 t -52.0 123.45 10.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.972 0.891 . . . . 0.0 112.072 -175.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 156.71 -82.06 0.16 Allowed Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.832 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -89.82 85.62 6.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.515 0.674 . . . . 0.0 111.63 -172.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.8 m -81.29 -60.36 2.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.868 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.543 178.339 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -106.8 160.41 15.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' MET . . . . . 0.803 ' HA ' ' HB2' ' A' ' 509' ' ' ARG . 23.2 ptp -158.19 20.76 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.072 175.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.36 -26.93 16.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.978 0.894 . . . . 0.0 109.784 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.526 ' HG3' ' HB1' ' A' ' 511' ' ' ALA . 3.7 pt20 -145.6 145.64 31.06 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.063 -172.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 62.2 m -112.14 129.45 56.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.069 0.461 . . . . 0.0 111.801 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.61 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 48.3 t -59.11 127.99 34.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -26.98 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.944 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -92.33 -34.65 14.12 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.457 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 12.0 m -121.79 -80.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.44 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.22 -160.86 26.6 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.787 -174.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.803 ' HB2' ' HA ' ' A' ' 500' ' ' MET . 7.3 ptp180 -51.9 -11.11 0.14 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -173.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.96 -1.63 4.29 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.604 ' HB3' ' N ' ' A' ' 504' ' ' CYS . . . -52.1 122.5 8.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.719 0.771 . . . . 0.0 112.096 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -136.37 -11.33 1.89 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.153 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 t -124.5 156.41 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.558 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.96 156.78 34.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.821 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.49 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.2 t -71.47 125.36 26.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.354 0.597 . . . . 0.0 109.862 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.5 m -78.36 120.9 23.77 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 167.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.76 -51.16 0.87 Allowed Glycine 0 C--N 1.31 -0.89 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -170.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.0 p -138.58 143.78 39.52 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 171.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -106.9 25.36 11.41 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.076 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.17 -28.47 23.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.399 -177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.56 160.93 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.25 149.31 52.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.964 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 1.667 ' HD1' ' CD2' ' A' ' 523' ' ' TYR . 97.6 m-85 -124.79 -177.02 3.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.728 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.1 p -122.56 -1.13 9.08 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.724 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 35.3 t -174.17 161.3 3.53 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.15 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.3 m -67.17 -24.24 65.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.025 0.441 . . . . 0.0 110.515 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 1.669 ' HD2' ' CD1' ' A' ' 527' ' ' PHE . 7.6 t80 -59.56 -48.68 80.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 176.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.48 -36.6 83.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.49 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.6 tp60 -58.77 -48.61 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.197 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -73.23 -31.33 64.07 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.179 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -70.18 -43.89 69.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.113 0.483 . . . . 0.0 110.812 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.47 -10.79 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.167 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 71.0 t-105 -57.97 -27.02 63.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.66 -175.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -56.82 -42.14 79.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.45 ' O ' HG21 ' A' ' 539' ' ' ILE . 23.5 t70 -92.96 -36.86 12.53 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 122.327 1.06 . . . . 0.0 109.47 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 64.9 t60 -65.86 -32.44 73.96 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.315 -169.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -60.81 -37.33 81.62 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.846 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.5 p80 -79.61 -19.96 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.198 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.659 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 0.8 OUTLIER -92.75 -44.93 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.193 178.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . 0.466 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.6 t -51.62 123.19 9.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.717 0.77 . . . . 0.0 111.675 -175.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 115.57 -0.17 21.82 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.843 -1.071 . . . . 0.0 113.101 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 539' ' ' ILE . 28.7 mm-40 -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.069 0.435 . . . . 0.0 111.278 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.6 m -113.56 124.7 52.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.706 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.116 177.342 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 502' ' ' GLN . 2.7 pt20 . . . . . 0 C--O 1.226 -0.138 0 CA-C-O 120.612 0.244 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 3.2 p -128.88 127.31 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.356 -176.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.668 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 48.2 t -62.3 125.53 24.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.17 -16.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.857 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -103.77 -23.57 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.253 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 53.2 m -122.47 -87.32 0.64 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.129 0.49 . . . . 0.0 112.125 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -177.4 -162.11 27.07 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.717 -174.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 35.4 ptt180 -53.46 -9.86 0.21 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -64.27 -3.78 3.15 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.668 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.17 139.96 4.26 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' MET . . . . . 0.429 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 50.0 ttm -148.26 -24.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.488 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.8 m -123.79 142.76 50.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.25 0.548 . . . . 0.0 111.252 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -106.77 164.17 12.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.763 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.9 t -77.13 125.62 29.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.346 0.593 . . . . 0.0 110.305 174.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 2.9 t -77.94 122.09 25.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 167.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.06 -52.65 0.82 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.57 146.51 44.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -109.11 21.12 17.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.554 ' HG3' HG13 ' A' ' 521' ' ' VAL . 20.1 ptmt -87.37 -23.47 24.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.906 -174.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.554 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -125.3 157.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 118.0 0.364 . . . . 0.0 110.381 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 147.2 51.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.368 0.604 . . . . 0.0 111.265 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.408 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 83.2 m-85 -125.84 -172.75 2.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 21.3 p -110.97 -34.47 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.411 0.624 . . . . 0.0 109.48 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.7 p -146.43 172.57 13.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.264 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 24.4 m -68.15 -25.63 65.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -60.23 -49.52 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.617 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 95.2 m -66.22 -35.68 81.07 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.464 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.565 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.1 tp60 -59.14 -48.59 81.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.061 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.89 -36.46 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.897 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.619 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -68.53 -36.88 79.46 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.634 -178.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 532' ' ' ASP . . . . . 0.619 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 30.3 t70 -72.17 -13.3 61.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 55.8 t-105 -59.44 -26.51 65.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.13 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -62.84 -35.78 81.07 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.427 -0.171 . . . . 0.0 110.6 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 34.8 t70 -93.25 -39.33 11.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.587 1.185 . . . . 0.0 109.53 171.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 57.7 t60 -66.01 -32.12 73.41 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.312 -169.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.5 -33.55 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.753 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 16.6 p80 -80.38 -20.37 44.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.049 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -92.73 -47.42 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.871 178.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.511 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.2 t -56.04 120.53 7.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.556 0.693 . . . . 0.0 110.651 -177.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.591 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.856 -176.551 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 16.0 m -126.15 128.07 46.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.938 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.703 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 33.2 t -61.15 123.42 17.64 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.7 -19.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.207 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 10.5 t30 -95.57 -39.76 9.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.909 -178.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.1 p -121.29 -73.6 0.64 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 119.337 -0.945 . . . . 0.0 112.558 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.405 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -167.63 -168.73 30.2 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.839 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -52.57 -9.24 0.11 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.193 1.182 . . . . 0.0 114.193 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.4 -2.69 0.52 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.784 0.434 . . . . 0.0 111.975 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.703 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.05 153.19 0.33 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.8 ttt -168.11 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.675 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.0 m -123.11 140.35 53.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.638 0.256 . . . . 0.0 110.384 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -100.87 163.59 12.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.819 0.343 . . . . 0.0 110.721 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.555 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.33 124.9 27.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.497 172.471 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.6 t -78.24 119.8 22.12 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 166.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.8 -50.1 0.9 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.598 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 13.2 p -144.7 145.76 31.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -108.33 24.94 12.27 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.598 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 5.7 ptpp? -85.96 -18.72 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.68 157.3 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.47 154.09 42.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.395 0.616 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.429 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 87.4 m-85 -126.41 -171.93 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.563 -1.199 . . . . 0.0 108.453 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 27.7 p -108.52 -44.3 4.11 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.76 0.791 . . . . 0.0 109.213 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 12.8 t -143.38 172.43 12.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.613 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.7 m -62.46 -28.03 69.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.25 -51.24 70.4 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.48 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 57.1 m -64.47 -35.75 81.95 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.137 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.555 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.1 -48.59 81.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.378 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -73.07 -31.89 64.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.239 0.542 . . . . 0.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -70.15 -43.42 70.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.413 0.625 . . . . 0.0 110.93 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -77.77 -11.51 59.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.026 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.518 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 76.6 t-105 -59.39 -27.2 65.78 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.341 -173.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -69.41 -30.02 67.88 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.678 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 539' ' ' ILE . 0.4 OUTLIER -93.95 -37.52 11.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.493 1.139 . . . . 0.0 109.676 170.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.2 t60 -65.71 -33.08 75.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.391 -173.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -62.27 -30.08 70.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -83.81 -22.61 31.73 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.153 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.512 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -90.38 -46.24 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.512 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.5 t -53.77 120.94 6.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.342 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.59 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.491 -176.758 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.446 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 3.7 pm0 . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.87 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 6.4 m -109.28 131.12 55.37 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.952 -176.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.574 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.7 t -61.11 120.92 11.23 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.45 -16.89 18.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.219 -174.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.552 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 18.5 t30 -98.59 -37.62 9.46 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 508' ' ' GLY . 17.4 p -123.53 -75.1 0.6 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 119.144 -1.022 . . . . 0.0 113.136 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -160.25 178.05 36.45 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.579 -174.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.87 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 3.0 ptm180 -54.59 -7.69 0.18 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -178.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -58.65 -0.93 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.248 0.619 . . . . 0.0 112.232 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.574 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.54 152.56 0.45 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.5 tpt -160.03 -28.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.348 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 144.4 49.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.712 0.291 . . . . 0.0 110.476 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -101.65 155.07 18.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 110.491 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.554 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.1 t -71.61 125.86 28.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.687 173.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 27.4 m -75.9 120.01 20.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 133.5 -46.87 1.03 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.363 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.23 165.51 23.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -129.99 26.97 5.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.968 173.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.529 ' HG3' HG13 ' A' ' 521' ' ' VAL . 18.7 ptmt -89.49 -26.5 20.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.529 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -130.12 159.0 42.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.693 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 156.91 39.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.427 0.632 . . . . 0.0 111.167 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 515' ' ' CYS . 82.1 m-85 -127.1 -171.86 2.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.749 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.9 p -112.29 -39.55 4.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.6 p -144.47 171.7 13.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.389 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 33.1 m -70.41 -23.94 62.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.979 0.419 . . . . 0.0 110.483 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.38 -50.11 74.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.552 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 66.8 m -65.62 -35.7 81.56 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.384 -0.526 . . . . 0.0 109.679 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.554 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.3 tp60 -57.48 -48.84 78.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.69 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -73.87 -30.68 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.314 0.578 . . . . 0.0 110.385 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.442 ' HD2' ' OD1' ' A' ' 506' ' ' ASN . 13.9 tmtt? -70.45 -42.8 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.416 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.66 -11.69 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.186 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 65.4 t-105 -59.75 -26.22 65.5 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.692 -172.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -68.51 -32.19 71.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.215 -0.303 . . . . 0.0 111.233 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 539' ' ' ILE . 25.5 t70 -92.78 -38.62 11.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.541 1.162 . . . . 0.0 109.606 170.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 80.2 t60 -67.97 -32.34 72.68 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.48 -169.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' GLN . . . . . 0.411 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 21.0 pt20 -59.23 -38.09 79.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -77.28 -18.93 57.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.627 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.5 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.84 -44.91 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.667 177.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.5 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.2 t -55.22 121.82 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.085 0.945 . . . . 0.0 111.336 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.77 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.488 -177.02 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.029 0.442 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 68.3 m -130.56 137.66 49.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.328 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.899 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.2 t -60.4 124.28 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.33 -16.49 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.684 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -97.37 -32.19 12.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 5.0 m -122.44 -83.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.712 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.472 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.69 -156.29 17.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.624 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -52.23 -8.14 0.07 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.82 -2.22 8.99 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.142 -0.349 . . . . 0.0 111.55 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.62 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -47.96 148.2 1.77 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.438 0.637 . . . . 0.0 112.706 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.7 ptp -163.29 -24.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.555 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 26.3 m -123.7 151.05 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.408 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.02 163.51 14.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.57 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.7 t -79.54 124.81 28.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.126 175.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.2 m -77.39 122.21 24.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.28 -35.88 2.35 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.28 159.34 42.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -120.27 33.21 5.68 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.55 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.661 ' HG3' HG13 ' A' ' 521' ' ' VAL . 16.6 ptmt -106.97 -26.59 11.12 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.661 HG13 ' HG3' ' A' ' 520' ' ' LYS . 30.5 m -118.91 157.5 20.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.314 -0.866 . . . . 0.0 110.858 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.71 145.07 51.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -127.26 -176.96 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.727 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.899 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 3.6 p -121.65 -4.55 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.303 0.573 . . . . 0.0 109.811 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 46.9 t -164.97 160.53 19.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 27.3 m -69.36 -25.8 64.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.05 0.453 . . . . 0.0 110.011 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.91 -49.47 76.06 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.639 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -61.93 -35.6 78.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.063 0.459 . . . . 0.0 109.85 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.57 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.2 OUTLIER -59.42 -48.83 80.13 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.351 177.75 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -72.67 -30.79 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.699 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.495 ' C ' ' HD3' ' A' ' 531' ' ' LYS . 1.2 tmtp? -69.93 -44.31 69.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -74.7 -10.75 59.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.123 0.487 . . . . 0.0 111.02 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -59.34 -25.21 64.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.497 -173.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -65.92 -40.3 91.33 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 122.249 -0.282 . . . . 0.0 110.707 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.494 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 3.8 t70 -92.0 -36.91 13.13 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 122.716 1.246 . . . . 0.0 109.636 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.4 ' CE1' HG21 ' A' ' 521' ' ' VAL . 76.3 t60 -68.1 -32.07 72.12 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.577 -170.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -58.66 -38.68 78.68 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.678 -0.409 . . . . 0.0 112.085 -175.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.3 p80 -76.61 -18.13 58.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.738 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' ' 538' ' ' HIS . 0.5 OUTLIER -93.39 -44.69 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.419 177.727 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.461 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.5 t -53.21 122.19 9.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.759 0.79 . . . . 0.0 111.576 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 CA-C-N 114.198 -1.364 . . . . 0.0 111.307 -177.856 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.797 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 18.2 m -128.6 132.95 48.2 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.825 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.1 t -59.9 123.9 18.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.21 -16.63 14.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.76 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.97 -30.61 10.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.549 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.23 -82.49 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.53 -174.53 37.97 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.006 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.797 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 17.2 ptp180 -55.22 -8.44 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.22 -1.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -46.67 132.49 11.0 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' MET . . . . . 0.449 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 21.0 mmt -130.44 -27.1 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.875 -178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 24.8 t -123.9 156.3 36.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.2 0.524 . . . . 0.0 111.117 -170.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.22 163.94 15.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.52 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.58 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -78.41 127.58 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.384 0.611 . . . . 0.0 110.195 176.648 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 6.0 t -79.67 121.64 25.56 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 165.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.12 -52.52 0.83 Allowed Glycine 0 CA--C 1.501 -0.796 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -170.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 14.4 p -140.5 143.57 35.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 169.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -105.99 29.06 7.02 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.75 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.566 ' HG3' HG13 ' A' ' 521' ' ' VAL . 18.4 ptmt -95.28 -19.83 19.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.6 m -120.91 159.52 22.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.891 -0.505 . . . . 0.0 110.657 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.74 143.52 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 92.6 m-85 -124.06 178.59 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.577 -176.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.825 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.9 p -118.27 -18.75 9.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.09 0.471 . . . . 0.0 110.175 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.9 m -148.85 161.3 42.11 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.8 m -67.19 -26.65 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.27 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.938 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.09 -35.78 81.88 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.58 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.8 tp60 -59.33 -48.48 81.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -73.62 -31.67 63.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.272 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 531' ' ' LYS . 14.4 tmtt? -71.85 -42.85 66.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.643 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.91 -14.49 62.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.425 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.59 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 65.8 t-105 -57.64 -26.64 61.9 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.65 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -62.3 -36.31 81.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 33.8 t70 -93.68 -39.24 10.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.701 1.239 . . . . 0.0 109.734 169.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.59 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 67.3 t60 -64.98 -32.29 73.94 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.509 -168.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -59.91 -35.66 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.651 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.504 ' CE1' HG22 ' A' ' 539' ' ' ILE . 15.8 p80 -78.47 -22.29 47.75 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.952 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.504 HG22 ' CE1' ' A' ' 538' ' ' HIS . 0.5 OUTLIER -90.74 -46.5 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.849 179.023 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.477 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.9 t -53.44 121.27 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.754 0.788 . . . . 0.0 111.394 -175.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.597 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.338 -175.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.415 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.709 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 34.8 m -129.29 133.76 47.62 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.856 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.29 124.17 19.47 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.54 -18.07 19.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.421 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.28 -33.05 10.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.506 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -121.56 -83.85 0.66 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.085 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.44 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -165.87 -176.19 37.01 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.481 -174.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 39.5 mtp180 -54.21 -10.07 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.57 -0.91 0.47 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.609 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -44.96 113.83 0.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' MET . . . . . 0.455 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 53.8 ttp -121.99 -20.09 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.047 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 16.7 m -123.12 146.41 47.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.436 0.636 . . . . 0.0 111.752 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -112.53 165.8 11.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.388 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 523' ' ' TYR . 0.9 OUTLIER -78.02 124.99 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.418 0.628 . . . . 0.0 110.248 173.037 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 14.6 m -78.68 120.54 23.5 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 167.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.35 -49.1 0.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.391 -0.909 . . . . 0.0 111.465 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.6 p -141.66 150.22 41.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -119.71 31.37 6.59 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.055 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.513 ' HG3' HG13 ' A' ' 521' ' ' VAL . 17.6 ptpt -87.28 -30.11 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.513 HG13 ' HG3' ' A' ' 520' ' ' LYS . 33.4 m -121.87 158.7 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.3 149.15 52.12 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.505 0.669 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.412 ' CE1' ' HA ' ' A' ' 529' ' ' GLN . 89.3 m-85 -123.68 -172.13 2.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.826 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.856 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 12.0 p -121.18 -17.41 7.73 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.056 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 72.1 m -154.13 163.92 39.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 39.6 m -67.8 -24.93 65.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.705 0.288 . . . . 0.0 110.847 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -61.47 -49.46 76.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.266 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.57 78.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.215 0.531 . . . . 0.0 109.899 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.412 ' HA ' ' CE1' ' A' ' 523' ' ' TYR . 0.4 OUTLIER -63.85 -49.07 74.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.698 -179.785 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.81 -29.73 64.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.064 0.459 . . . . 0.0 111.039 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -71.15 -42.17 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.24 0.543 . . . . 0.0 110.044 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.32 -13.14 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.633 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 68.8 t-105 -59.79 -26.44 65.73 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.609 -172.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.61 -35.35 80.21 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.103 -0.373 . . . . 0.0 111.096 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 539' ' ' ILE . 26.1 t70 -93.0 -37.0 12.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.433 1.111 . . . . 0.0 109.603 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.3 t60 -67.87 -32.64 73.29 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.395 -170.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 537' ' ' GLN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 20.8 pt20 -59.8 -35.33 74.46 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.47 -20.74 39.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.436 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.9 OUTLIER -92.02 -44.05 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.165 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.459 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.9 t -54.05 122.07 9.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.586 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.979 -179.356 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.449 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 8.2 pt20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.2 m -120.26 125.94 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.752 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 37.9 t -61.38 124.5 20.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.684 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.87 -20.31 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.404 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -93.46 -42.21 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.755 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 p -120.7 -70.84 0.76 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 119.126 -1.03 . . . . 0.0 112.023 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.439 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -178.46 -156.17 16.23 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.444 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -7.87 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.83 -4.62 4.6 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.005 0.366 . . . . 0.0 111.847 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.752 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -51.06 148.38 4.44 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 56.8 ttp -166.9 -27.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.179 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.1 m -122.56 155.57 36.0 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.558 0.218 . . . . 0.0 110.607 -173.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -120.97 155.56 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.566 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.551 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -70.77 127.54 33.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.546 0.688 . . . . 0.0 110.362 177.107 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 m -77.5 120.42 22.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 165.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.42 -53.53 0.8 Allowed Glycine 0 C--N 1.31 -0.899 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.529 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 12.7 p -138.84 144.32 39.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -114.64 37.92 3.27 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.36 0.6 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.543 ' HG3' HG13 ' A' ' 521' ' ' VAL . 6.4 ptpp? -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.346 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.543 HG13 ' HG3' ' A' ' 520' ' ' LYS . 30.9 m -127.76 160.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -177.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.6 153.33 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.459 0.647 . . . . 0.0 110.688 177.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.429 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 92.6 m-85 -124.89 -171.6 2.39 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.372 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.597 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.0 p -107.44 -44.42 4.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.854 0.835 . . . . 0.0 109.224 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 47.9 t -145.89 168.14 21.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.506 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 12.9 m -60.93 -24.33 65.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.282 . . . . 0.0 111.402 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.57 -50.54 73.49 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.258 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.0 -35.32 80.26 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.406 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.551 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.9 tp60 -58.99 -48.47 81.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.185 0.517 . . . . 0.0 110.002 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -73.47 -31.17 63.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.151 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -73.69 -42.9 60.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.02 -14.79 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.59 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -58.79 -27.27 64.86 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.637 -176.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -63.85 -33.24 75.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.949 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -94.0 -40.59 10.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.622 1.201 . . . . 0.0 109.438 170.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.59 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.8 t60 -64.53 -32.02 73.48 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.138 -168.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -60.95 -33.24 72.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.796 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -80.83 -21.0 41.18 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.738 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.498 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.95 -47.34 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.891 178.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.498 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.8 t -54.71 120.67 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.564 0.697 . . . . 0.0 110.689 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.582 -175.878 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.648 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 41.7 m -117.72 131.3 56.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.677 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 45.5 t -60.56 123.38 17.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 14.4 p -65.32 -20.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.837 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 12.5 t30 -96.58 -34.85 11.28 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.736 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.5 p -127.12 -75.08 0.58 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.95 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.437 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -163.1 -175.85 34.54 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 119.542 -1.313 . . . . 0.0 114.288 -175.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.648 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 96.3 mtt180 -53.8 -9.97 0.27 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -61.87 0.62 0.35 Allowed 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 122.669 0.388 . . . . 0.0 111.886 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.677 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.49 163.79 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.5 ttt -178.44 -28.21 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.064 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 10.7 t -119.87 155.09 33.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.011 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -124.87 162.77 23.64 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -172.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 126.05 29.31 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.442 0.639 . . . . 0.0 109.996 174.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.2 m -79.58 121.0 24.7 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 166.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.9 -50.75 0.88 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.568 ' HB2' ' NZ ' ' A' ' 520' ' ' LYS . 10.1 p -142.5 144.72 33.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 170.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -114.77 37.9 3.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.605 0.716 . . . . 0.0 109.912 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.568 ' NZ ' ' HB2' ' A' ' 518' ' ' CYS . 4.7 ptpp? -94.3 -21.36 19.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.486 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.554 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.5 m -120.79 160.01 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 110.666 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.78 145.8 51.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.533 0.682 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -126.2 -169.14 1.96 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.566 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 31.9 p -112.63 -41.62 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.395 0.616 . . . . 0.0 109.477 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.0 p -139.14 172.11 13.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.897 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 26.6 m -67.76 -25.96 65.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 0.0 110.345 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -60.72 -50.47 73.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.374 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 58.4 m -65.45 -35.06 79.79 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.165 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -48.39 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.29 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -73.34 -31.16 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -70.55 -42.92 70.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.06 -12.98 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.912 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 73.3 t-105 -59.37 -26.89 65.47 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.79 -176.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.53 -36.53 78.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.041 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 539' ' ' ILE . 28.7 t70 -93.41 -38.77 11.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.529 1.157 . . . . 0.0 109.558 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -66.5 -31.71 72.61 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.176 -168.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -61.46 -36.21 79.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.716 -0.393 . . . . 0.0 112.006 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.6 p80 -78.94 -18.67 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.242 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.6 OUTLIER -93.67 -45.6 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.95 178.303 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.485 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.93 120.38 6.28 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.816 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.523 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.66 -175.181 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.401 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 3.5 pm0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.7 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 3.7 p -128.79 134.49 48.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.782 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.3 t -59.73 124.19 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.12 -15.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.834 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -101.14 -28.99 12.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.5 m -128.99 -86.06 0.55 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -167.62 -171.15 33.29 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.44 -174.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.7 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 98.0 mtt180 -54.25 -10.36 0.37 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.56 -0.83 1.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.885 0.374 . . . . 0.0 111.965 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -44.88 119.89 2.13 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.467 178.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 25.2 ttt -127.03 -21.46 3.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.753 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 40.8 m -123.01 144.93 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.384 0.611 . . . . 0.0 111.157 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.65 162.89 14.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.392 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.46 121.64 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.405 0.621 . . . . 0.0 109.658 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.4 m -78.78 118.71 21.1 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 165.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.92 -56.85 0.73 Allowed Glycine 0 C--N 1.311 -0.851 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -167.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.5 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 11.9 p -141.48 145.28 35.02 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 170.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -109.9 28.51 8.52 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.56 ' HG3' HG13 ' A' ' 521' ' ' VAL . 13.5 ptmm? -86.36 -20.1 28.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.793 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.56 HG13 ' HG3' ' A' ' 520' ' ' LYS . 36.0 m -132.97 160.11 42.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.949 0.404 . . . . 0.0 110.163 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.33 153.34 47.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -126.82 179.88 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.305 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.782 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.1 p -120.76 -8.5 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.167 -176.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 82.8 p -152.96 164.16 38.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.2 m -67.81 -28.14 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.35 0.595 . . . . 0.0 109.468 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.01 -47.94 82.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.088 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.529 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 35.7 m -59.97 -36.6 77.5 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.46 -47.97 83.81 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.776 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -72.23 -37.5 69.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.749 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -69.28 -37.33 77.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.596 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 532' ' ' ASP . . . . . 0.749 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 26.2 t70 -72.88 -14.16 61.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.676 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -57.79 -30.8 65.97 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.644 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -58.26 -42.29 86.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.311 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 539' ' ' ILE . 11.3 m-20 -93.08 -36.12 12.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.107 0.956 . . . . 0.0 110.243 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 539' ' ' ILE . 63.3 t60 -67.42 -34.7 77.78 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.509 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -58.94 -35.24 72.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.896 -175.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -82.03 -22.73 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.076 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 535' ' ' ASP . 1.0 OUTLIER -89.05 -45.42 15.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.251 178.361 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.411 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.0 t -52.41 121.79 7.62 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.726 -178.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.884 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.723 -177.177 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.504 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 7.4 pt20 . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.8 p -118.93 125.32 49.18 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.677 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.1 t -60.63 125.84 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.29 -18.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.983 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -101.35 -24.95 14.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.055 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' CYS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 69.2 m -120.53 -82.29 0.65 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -171.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 165.49 -149.7 16.41 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -176.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -53.38 -10.4 0.23 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.36 3.94 0.83 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 123.794 0.838 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.677 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -71.74 170.69 13.03 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.097 -0.377 . . . . 0.0 110.929 -166.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.1 tpp -173.45 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.428 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 39.9 m -119.83 145.54 46.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -113.75 164.03 14.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.093 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.478 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -76.38 125.78 29.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.937 174.766 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 3.7 t -79.4 120.58 24.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.33 -54.96 0.77 Allowed Glycine 0 C--N 1.31 -0.867 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 11.2 p -143.39 144.91 32.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -114.34 33.0 5.55 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.516 ' HG3' HG13 ' A' ' 521' ' ' VAL . 9.5 ptmm? -87.63 -16.59 34.01 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.272 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 520' ' ' LYS . 31.2 m -129.77 161.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.09 146.56 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 0.0 111.232 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.421 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 28.5 m-85 -125.87 -170.83 2.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.638 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 21.8 p -113.97 -37.8 4.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.318 0.58 . . . . 0.0 109.446 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.2 p -142.7 165.01 28.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.25 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.9 m -64.73 -22.8 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -59.77 -49.68 76.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.796 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.65 -35.46 80.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.852 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.478 ' OE1' ' HB2' ' A' ' 515' ' ' CYS . 37.1 tp60 -59.03 -48.5 81.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.063 0.459 . . . . 0.0 110.022 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -73.06 -30.24 63.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.24 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.27 -42.38 88.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.558 . . . . 0.0 110.5 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.71 -11.87 59.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.944 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.519 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 70.9 t-105 -60.37 -29.48 68.95 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -170.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.33 -28.28 66.1 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.96 -175.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.515 ' O ' HG23 ' A' ' 539' ' ' ILE . 0.8 OUTLIER -93.61 -38.4 11.37 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 122.479 1.133 . . . . 0.0 109.439 171.162 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.2 t60 -67.07 -33.17 74.91 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.599 -173.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' GLN . . . . . 0.442 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 21.0 pt20 -61.15 -33.44 73.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -175.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.1 p80 -81.62 -21.4 38.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.14 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -91.72 -45.21 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.826 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.495 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.3 t -53.04 121.45 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.032 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.68 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.258 -176.865 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.497 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.4 p -120.87 128.61 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.161 0.505 . . . . 0.0 112.158 -174.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.732 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 41.9 t -64.59 129.21 38.99 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 175.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -21.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.764 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -99.25 -29.22 12.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.73 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' CYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 62.8 m -121.07 -49.23 2.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -167.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . 128.14 -150.73 18.53 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.586 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -53.09 -12.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.23 -4.34 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.732 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -50.73 150.79 2.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 47.0 ttm -153.92 -27.86 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.335 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.6 t -122.87 155.53 36.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.521 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -117.16 163.48 16.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.49 124.27 27.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.742 174.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 60.5 m -77.67 120.16 22.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.57 -59.8 0.68 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -168.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.7 p -134.72 144.15 47.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.57 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -112.16 32.57 5.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.06 0.457 . . . . 0.0 110.077 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -86.82 -28.87 22.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.14 157.81 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.45 152.09 47.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.34 0.59 . . . . 0.0 110.757 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -125.67 -172.56 2.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.956 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 25.0 p -108.87 -37.46 5.85 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 6.0 p -145.4 171.78 14.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.146 -177.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -62.26 -29.95 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -59.92 -49.21 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.133 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 67.6 m -65.78 -35.05 79.6 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.854 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -60.65 -49.33 77.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 109.892 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' ARG . . . . . 0.415 ' HD3' ' HA ' ' A' ' 530' ' ' ARG . 22.1 mmt180 -72.54 -32.47 66.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.092 -177.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.481 ' HB3' ' NZ ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER -69.7 -41.74 74.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.303 178.44 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.91 -13.28 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.603 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 67.7 t-105 -58.27 -30.81 66.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.093 -173.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 119.721 -0.18 . . . . 0.0 111.349 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 539' ' ' ILE . 29.1 t70 -93.0 -37.84 11.97 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.342 1.068 . . . . 0.0 109.663 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -67.23 -32.63 73.79 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.411 -170.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -59.84 -38.16 81.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -79.67 -21.7 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.984 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.04 -44.92 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.342 178.764 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.445 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.4 t -53.07 121.77 8.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.395 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.843 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.283 -175.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.591 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 75.4 m -125.55 137.92 53.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.132 0.491 . . . . 0.0 112.08 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.833 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.6 t -60.07 127.72 33.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.98 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.06 -11.92 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -104.5 -31.42 9.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.69 -86.35 0.65 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.443 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -176.6 -158.95 21.22 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.479 -0.867 . . . . 0.0 113.221 -174.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 509' ' ' ARG . 14.9 mtp180 -51.66 -11.61 0.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -173.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 512' ' ' MET . 20.7 tt0 -67.21 -1.87 5.04 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.665 0.269 . . . . 0.0 111.372 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.673 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -49.62 115.78 1.5 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.202 0.525 . . . . 0.0 112.293 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 512' ' ' MET . . . . . 0.621 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 25.6 mmt -123.27 -22.68 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.695 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.9 m -123.93 152.79 42.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 111.451 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -111.65 164.19 13.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.17 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.4 t -76.62 126.94 31.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.398 0.618 . . . . 0.0 109.901 173.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.8 m -77.56 120.51 22.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.51 -52.15 0.84 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.158 -171.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.4 p -136.77 146.05 45.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -109.8 25.64 11.56 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.193 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 520' ' ' LYS . 14.4 ptpt -87.3 -27.11 23.07 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.978 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 30.8 m -127.54 156.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.028 -0.42 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.69 153.11 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 111.396 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.431 ' HE1' ' HB2' ' A' ' 515' ' ' CYS . 89.8 m-85 -125.45 -178.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.459 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.833 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 8.9 p -117.63 -25.53 6.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.089 0.471 . . . . 0.0 110.032 -177.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.2 m -143.87 162.34 36.36 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 28.7 m -66.48 -27.12 67.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.108 0.48 . . . . 0.0 110.146 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -60.08 -48.17 82.85 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.071 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.69 0.281 . . . . 0.0 110.308 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.565 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.3 tp60 -59.63 -48.93 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.345 0.593 . . . . 0.0 110.05 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -73.87 -35.16 64.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.496 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -65.47 -43.61 89.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.126 0.489 . . . . 0.0 110.957 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.67 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.448 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -59.95 -26.07 65.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.162 -174.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -68.7 -32.81 72.88 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.62 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 539' ' ' ILE . 1.8 t0 -93.51 -37.31 11.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.484 1.135 . . . . 0.0 109.435 170.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.4 t60 -67.69 -33.09 74.22 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.922 -170.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.4 -38.01 76.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.9 p80 -79.04 -22.47 45.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.893 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.526 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -87.77 -45.88 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.316 -0.553 . . . . 0.0 109.875 178.658 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.526 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.5 t -55.28 121.3 8.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.598 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.81 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.528 -176.503 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 N--CA 1.446 -0.674 0 CA-C-O 120.522 0.201 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 8.4 p -128.62 128.67 44.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.689 0.28 . . . . 0.0 110.254 177.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.7 t -60.63 123.09 16.4 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.06 -14.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.938 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -99.91 -34.43 10.13 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.095 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -122.03 -83.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -173.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.456 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.41 -170.39 33.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.873 -175.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 4.1 ppt_? -53.48 -7.81 0.12 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.07 -2.95 1.45 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.509 0.323 . . . . 0.0 111.665 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.625 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -50.66 154.34 1.4 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.6 ptp -165.65 -20.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.032 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.2 m -124.04 154.57 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.909 -0.495 . . . . 0.0 110.856 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -115.32 154.81 28.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.758 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.545 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.37 125.8 29.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.552 177.099 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.8 m -76.93 121.09 22.95 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 134.32 -32.03 2.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.9 p -145.13 177.17 8.98 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 170.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -129.51 28.83 5.14 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 164.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.646 ' HG2' HG13 ' A' ' 521' ' ' VAL . 3.0 ttmm -90.51 -30.08 17.5 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.942 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.646 HG13 ' HG2' ' A' ' 520' ' ' LYS . 34.1 m -118.59 160.13 18.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 121.215 0.531 . . . . 0.0 111.487 -175.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.1 143.02 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 -178.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.404 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 98.0 m-85 -125.51 178.88 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.773 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 4.9 p -120.46 -13.26 8.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 109.896 -176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 19.8 m -154.77 163.67 39.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.8 m -71.29 -28.14 63.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.429 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.8 -47.21 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.797 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.48 -36.39 83.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 110.268 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.545 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.8 OUTLIER -56.09 -48.78 75.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.124 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -73.38 -29.49 62.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.484 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.5 -43.25 60.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 110.518 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -74.88 -12.61 60.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.938 0.399 . . . . 0.0 111.074 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -58.12 -30.11 66.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.723 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -59.18 -38.52 80.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.354 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 24.9 t70 -92.56 -41.15 10.39 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.488 1.137 . . . . 0.0 109.845 173.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -65.53 -31.84 73.11 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.033 -169.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -60.19 -34.93 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 112.059 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.3 p80 -79.16 -20.37 48.65 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.861 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.521 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -93.36 -45.61 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.649 178.623 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.521 ' N ' HG13 ' A' ' 539' ' ' ILE . 13.2 t -55.05 121.57 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.385 0.612 . . . . 0.0 111.293 -177.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.566 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.753 178.339 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.435 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 7.3 pt20 . . . . . 0 N--CA 1.445 -0.697 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 5.5 p -121.2 129.2 53.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.888 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.725 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 43.1 t -59.14 123.15 15.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.35 -18.11 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.522 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -97.98 -30.8 12.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 8.7 m -122.44 -82.94 0.65 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.447 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -179.99 -162.46 28.91 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.048 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 32.6 ptt180 -54.69 -8.24 0.23 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -174.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 512' ' ' MET . 10.4 tp10 -67.4 -2.01 5.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.683 0.278 . . . . 0.0 111.078 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.725 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.3 137.99 10.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.293 0.568 . . . . 0.0 112.333 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 512' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 23.6 mmt -143.49 -28.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.12 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.0 m -123.41 155.28 37.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -171.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.09 164.62 16.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.92 123.68 28.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.24 175.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.3 m -80.07 120.41 24.19 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 167.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.85 -57.78 0.72 Allowed Glycine 0 C--N 1.312 -0.786 0 C-N-CA 120.314 -0.946 . . . . 0.0 110.813 -168.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.656 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 9.3 p -135.53 144.33 46.22 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -113.75 35.05 4.24 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.656 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 18.0 ptpt -86.88 -25.77 24.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.429 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 520' ' ' LYS . 20.1 m -128.05 163.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 0.0 111.319 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.51 147.96 52.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.817 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -123.56 -174.63 3.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.567 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 7.6 p -124.8 4.23 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.167 0.508 . . . . 0.0 110.064 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 79.4 p -170.25 162.01 8.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 16.2 m -69.31 -24.46 63.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 109.925 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -63.35 -48.72 76.79 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.79 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 55.6 m -58.67 -35.89 73.29 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.939 0.399 . . . . 0.0 109.95 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -48.45 78.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.649 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -71.59 -30.48 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.081 0.467 . . . . 0.0 111.279 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -71.73 -42.55 67.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.55 -13.47 60.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.789 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.571 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 74.1 t-105 -58.5 -26.11 63.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.407 -173.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -68.88 -30.94 69.55 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.119 -0.363 . . . . 0.0 111.266 -176.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 4.7 t0 -94.47 -37.9 11.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.798 1.285 . . . . 0.0 109.043 170.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.64 -33.89 76.66 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.472 -170.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.68 -36.87 74.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.0 p80 -82.69 -20.01 36.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.233 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 536' ' ' HIS . 1.0 OUTLIER -91.8 -42.16 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.138 0.495 . . . . 0.0 110.59 178.037 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.424 ' N ' HG13 ' A' ' 539' ' ' ILE . 18.7 t -51.48 121.49 6.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.117 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.685 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.05 -175.634 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.413 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 12.6 pt20 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.732 0.301 . . . . 0.0 111.527 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.1 p -129.12 130.9 47.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.531 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.18 125.51 23.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.27 -17.84 20.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.619 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -98.73 -28.48 13.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.365 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 13.0 m -122.78 -82.92 0.65 Allowed 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.486 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 176.05 -156.46 21.49 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.576 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -53.05 -8.7 0.11 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.7 -4.07 8.06 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 122.364 -0.21 . . . . 0.0 111.485 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.712 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -47.67 149.58 1.2 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.8 ttm -162.18 -28.55 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.471 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 37.8 m -118.63 138.31 52.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.585 0.707 . . . . 0.0 110.803 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 514' ' ' GLU . 8.0 pt-20 -108.31 162.07 14.43 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.108 -175.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.459 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -73.35 127.59 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.441 0.639 . . . . 0.0 110.55 174.703 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 120.5 23.01 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 162.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.45 -57.61 0.72 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -139.94 145.48 37.98 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -113.06 32.46 5.71 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.618 ' HG3' HG13 ' A' ' 521' ' ' VAL . 12.9 ptmm? -87.72 -25.6 23.36 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.472 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.618 HG13 ' HG3' ' A' ' 520' ' ' LYS . 14.0 m -122.31 159.61 25.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.008 0.432 . . . . 0.0 110.943 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.97 144.87 51.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.332 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 34.0 m-85 -125.53 -174.98 3.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.148 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.724 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.2 p -121.89 -9.13 8.83 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.265 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 48.2 t -161.57 162.36 30.13 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.048 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 57.7 m -67.41 -25.16 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.097 0.475 . . . . 0.0 110.193 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.08 -48.94 79.37 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.738 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.7 m -64.4 -35.32 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.352 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.459 ' OE1' ' HB2' ' A' ' 515' ' ' CYS . 36.6 tp60 -60.63 -48.16 83.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.745 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 41.1 ttp-105 -72.12 -31.96 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.465 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -70.18 -42.28 72.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.422 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.4 -11.52 60.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.117 0.484 . . . . 0.0 111.161 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.489 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.2 t-105 -60.04 -26.53 66.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.848 -171.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -68.4 -31.7 71.23 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 122.131 -0.356 . . . . 0.0 110.738 -176.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.513 ' O ' HG23 ' A' ' 539' ' ' ILE . 37.0 m-20 -94.39 -35.2 12.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.803 0.811 . . . . 0.0 110.09 171.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 55.1 t60 -67.41 -34.4 77.17 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.684 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -60.23 -34.75 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.997 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -81.54 -22.11 38.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.334 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.24 -44.79 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.628 178.648 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.442 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.0 t -53.14 122.23 9.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.362 -177.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.395 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.499 -178.214 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.423 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 9.1 pt20 . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 7.9 p -127.85 126.3 41.36 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.692 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 41.9 t -60.27 122.75 15.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.42 -16.04 15.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.741 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -100.85 -26.75 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.5 m -122.94 -80.89 0.63 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 173.31 -153.86 18.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.533 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -51.25 -13.35 0.18 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.59 -1.69 9.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.739 0.305 . . . . 0.0 111.802 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.692 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.86 139.56 9.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 112.586 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 512' ' ' MET . . . . . 0.474 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 64.7 mtt -149.38 -27.66 0.27 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.959 -177.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.9 t -122.28 155.04 36.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.118 0.485 . . . . 0.0 110.226 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -123.91 163.87 20.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -172.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.618 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.63 126.69 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.567 0.699 . . . . 0.0 110.579 173.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 1.8 t -77.58 120.02 21.95 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.782 164.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.18 -51.89 0.84 Allowed Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.562 ' HB2' ' NZ ' ' A' ' 520' ' ' LYS . 9.1 p -145.36 145.61 31.25 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.892 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -113.65 29.98 7.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.281 0.563 . . . . 0.0 109.586 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.562 ' NZ ' ' HB2' ' A' ' 518' ' ' CYS . 4.8 ptpp? -87.02 -21.09 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.738 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.517 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.2 m -125.83 158.35 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.15 146.51 52.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.541 0.686 . . . . 0.0 111.568 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.6 -173.69 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.11 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.4 p -120.86 -14.36 8.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.183 0.516 . . . . 0.0 109.895 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 40.2 t -157.12 160.77 39.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 56.9 m -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.063 0.459 . . . . 0.0 110.219 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.88 -49.14 78.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.615 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -64.4 -35.12 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.165 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.618 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.57 -48.95 79.21 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.035 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -73.15 -30.98 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.32 -41.78 89.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.114 0.483 . . . . 0.0 109.827 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -78.72 -11.7 59.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.427 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.438 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -58.59 -29.27 66.31 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -172.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.62 -42.83 79.46 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 122.346 0.258 . . . . 0.0 110.896 177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 539' ' ' ILE . 24.0 t70 -92.25 -36.56 13.17 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.204 1.002 . . . . 0.0 109.812 176.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.9 t60 -68.01 -33.02 73.82 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.205 -170.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.44 -38.54 77.7 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.794 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.4 p80 -80.03 -22.7 42.1 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.398 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -88.32 -43.82 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.236 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.505 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.96 120.83 6.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.355 -177.179 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 8.6 pt20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 55.5 p -129.08 123.77 33.1 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.368 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.724 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 49.3 t -60.55 122.59 15.05 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.3 -15.86 18.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.745 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -97.04 -33.56 11.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.242 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.96 -81.92 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.799 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.436 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -174.2 -166.76 32.77 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.04 -1.076 . . . . 0.0 113.552 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.579 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.8 mpt_? -56.0 -8.15 0.41 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.26 0.58 3.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.735 0.302 . . . . 0.0 111.438 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.724 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.87 155.19 0.28 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.727 0.775 . . . . 0.0 113.075 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.9 ttt -159.05 -24.54 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.026 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.5 t -121.82 154.98 36.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.29 0.567 . . . . 0.0 110.943 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -123.09 158.43 30.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.695 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.517 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.3 OUTLIER -75.92 128.15 34.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.335 0.588 . . . . 0.0 110.861 178.416 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 m -78.39 120.32 22.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 164.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.64 -52.5 0.83 Allowed Glycine 0 CA--C 1.5 -0.899 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.1 p -144.55 144.03 31.11 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -109.67 30.83 6.3 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.549 ' HG3' HG13 ' A' ' 521' ' ' VAL . 11.1 ptmm? -86.43 -24.4 25.7 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.114 -176.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.549 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.9 m -124.44 160.32 29.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.83 0.348 . . . . 0.0 110.122 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.44 148.24 51.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.841 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -126.7 -173.8 2.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.776 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.0 p -126.66 0.84 6.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.543 . . . . 0.0 110.135 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 37.3 t -167.25 161.08 14.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 17.8 m -64.92 -28.69 69.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.462 . . . . 0.0 110.136 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -61.13 -48.51 81.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.747 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.517 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.08 -48.63 79.58 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.14 177.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -73.25 -34.01 65.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.336 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -62.3 -42.34 99.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.873 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.32 -12.2 59.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.39 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -60.32 -26.53 66.62 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -68.49 -31.81 71.34 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.038 -0.414 . . . . 0.0 110.539 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 539' ' ' ILE . 39.0 t70 -93.11 -38.1 11.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.592 1.186 . . . . 0.0 109.718 170.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.55 -33.81 76.5 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.372 -1.285 . . . . 0.0 111.012 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -59.09 -34.36 71.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.0 p80 -83.55 -25.43 30.98 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.31 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.8 OUTLIER -86.28 -44.17 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.084 0.469 . . . . 0.0 110.472 179.463 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.44 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.9 t -52.14 122.87 9.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.865 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.782 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.245 179.11 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.451 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 6.8 pt20 . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.688 0.28 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.4 m -116.81 123.01 46.05 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.857 0.36 . . . . 0.0 111.512 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.736 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.2 t -59.85 124.98 21.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 175.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.53 -12.34 10.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -104.12 -24.13 13.21 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.126 175.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 507' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 39.6 m -121.82 -84.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.107 -0.37 . . . . 0.0 111.93 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 172.62 -154.24 20.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.017 -176.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -52.51 -9.48 0.11 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -175.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.07 -4.17 19.86 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.736 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -52.93 146.56 10.67 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.3 ttt -145.52 -28.6 0.44 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.46 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 23.0 t -122.3 155.87 35.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.065 0.46 . . . . 0.0 110.633 -167.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -118.01 163.4 16.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.569 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -80.67 127.54 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.595 176.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 4.3 m -79.72 120.72 24.41 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 164.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 132.21 -49.24 0.93 Allowed Glycine 0 C--N 1.313 -0.713 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -170.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 16.7 p -145.01 143.98 30.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -108.58 37.59 2.47 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.321 0.582 . . . . 0.0 109.47 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.626 ' HG3' HG13 ' A' ' 521' ' ' VAL . 12.5 ptmm? -99.17 -24.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.801 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.626 HG13 ' HG3' ' A' ' 520' ' ' LYS . 18.1 m -121.79 162.05 21.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.933 0.397 . . . . 0.0 110.815 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.85 149.94 52.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.155 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -125.05 -174.2 2.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.645 -1.161 . . . . 0.0 108.555 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.9 p -117.1 -32.75 4.93 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 13.0 m -138.99 165.27 27.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.239 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -69.14 -25.37 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.084 0.469 . . . . 0.0 110.501 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -60.23 -47.69 84.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.109 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.521 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 27.1 m -63.97 -35.74 81.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.569 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.78 -48.32 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.898 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -73.1 -35.21 66.55 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.313 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.572 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -72.98 -37.49 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.108 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 532' ' ' ASP . . . . . 0.572 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 29.7 t70 -70.53 -14.89 62.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 59.5 t-105 -58.69 -26.41 63.83 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.489 -173.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.54 -33.91 76.73 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 122.255 -0.278 . . . . 0.0 111.171 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 539' ' ' ILE . 31.5 t70 -94.18 -37.55 11.51 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.676 1.226 . . . . 0.0 109.517 170.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.554 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 72.6 t60 -66.22 -33.14 75.09 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.271 -169.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -58.7 -36.92 75.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 22.8 p80 -80.15 -23.86 40.8 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.934 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.6 OUTLIER -88.07 -44.81 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 110.062 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.5 t -51.67 122.44 8.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.245 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.748 -177.542 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.109 0.48 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.6 m -129.39 136.72 50.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.668 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 43.0 t -61.07 123.43 17.62 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.62 -15.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.983 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -103.16 -25.19 13.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.622 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 33.7 m -122.58 -76.25 0.59 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 167.37 -153.5 23.04 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.915 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 509' ' ' ARG . 44.6 ttt180 -52.0 -12.07 0.2 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.13 -3.17 3.44 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 122.111 -0.368 . . . . 0.0 111.878 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.636 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.08 141.35 6.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.7 tpt -147.11 -23.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.22 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.0 m -124.32 154.64 39.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.178 0.513 . . . . 0.0 111.187 -175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -114.61 163.02 16.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.504 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.506 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -75.03 124.78 27.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.53 0.681 . . . . 0.0 110.141 175.41 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.3 m -79.92 119.83 23.3 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 164.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.46 -55.84 0.75 Allowed Glycine 0 C--N 1.313 -0.736 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -168.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.638 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 16.7 p -142.13 142.4 32.75 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 168.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -105.48 30.55 5.6 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.186 0.517 . . . . 0.0 109.771 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.638 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 8.6 ptpp? -88.65 -29.77 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.256 -177.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.6 m -122.87 158.8 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.054 0.454 . . . . 0.0 110.159 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.59 148.62 52.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.434 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -125.61 -175.47 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.287 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.668 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 14.4 p -115.22 -18.88 11.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.232 0.539 . . . . 0.0 109.939 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 163.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.885 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 2.5 m -65.14 -24.85 67.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 0.0 110.982 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -61.53 -49.23 77.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.74 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 63.6 m -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.577 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.506 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 3.3 tp60 -58.01 -47.21 83.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.656 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.74 -37.14 65.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.252 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.74 ' HG3' ' HA ' ' A' ' 528' ' ' CYS . 0.0 OUTLIER -69.74 -36.87 76.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.05 -177.506 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 532' ' ' ASP . . . . . 0.6 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 34.1 t70 -71.79 -13.58 61.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.955 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.558 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 63.9 t-105 -58.48 -27.08 64.1 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.279 -173.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -59.62 -39.15 83.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.199 -0.313 . . . . 0.0 111.319 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -93.48 -38.75 11.25 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.561 1.172 . . . . 0.0 109.124 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 49.7 t60 -64.96 -32.72 74.58 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.283 -170.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -63.97 -31.1 72.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -83.23 -20.77 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.08 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 536' ' ' HIS . 1.0 OUTLIER -92.79 -46.33 14.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.308 178.743 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 8.8 t -52.0 123.45 10.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.972 0.891 . . . . 0.0 112.072 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.845 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.832 179.766 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.56 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 16.1 pt20 . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 62.2 m -112.14 129.45 56.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.069 0.461 . . . . 0.0 111.801 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 48.3 t -59.11 127.99 34.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -26.98 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.944 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -92.33 -34.65 14.12 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.457 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 12.0 m -121.79 -80.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.473 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.22 -160.86 26.6 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.787 -174.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -51.9 -11.11 0.14 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -173.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.96 -1.63 4.29 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.617 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -52.1 122.5 8.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.719 0.771 . . . . 0.0 112.096 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -136.37 -11.33 1.89 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.153 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 t -124.5 156.41 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.558 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.96 156.78 34.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.821 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.515 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.2 t -71.47 125.36 26.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.354 0.597 . . . . 0.0 109.862 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.5 m -78.36 120.9 23.77 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 167.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.76 -51.16 0.87 Allowed Glycine 0 C--N 1.31 -0.89 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -170.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.407 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 14.0 p -138.58 143.78 39.52 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 171.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -106.9 25.36 11.41 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.076 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.407 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 0.1 OUTLIER -86.17 -28.47 23.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.399 -177.277 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.56 160.93 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.25 149.31 52.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.964 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.79 -177.02 3.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.728 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.1 p -122.56 -1.13 9.08 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.724 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 35.3 t -174.17 161.3 3.53 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.15 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.3 m -67.17 -24.24 65.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.025 0.441 . . . . 0.0 110.515 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.56 -48.68 80.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.48 -36.6 83.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.515 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.6 tp60 -58.77 -48.61 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.197 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -73.23 -31.33 64.07 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.179 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -70.18 -43.89 69.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.113 0.483 . . . . 0.0 110.812 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.47 -10.79 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.167 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.532 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 71.0 t-105 -57.97 -27.02 63.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.66 -175.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -56.82 -42.14 79.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 539' ' ' ILE . 23.5 t70 -92.96 -36.86 12.53 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 122.327 1.06 . . . . 0.0 109.47 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 64.9 t60 -65.86 -32.44 73.96 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.315 -169.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -60.81 -37.33 81.62 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.846 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 538' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.5 p80 -79.61 -19.96 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.198 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.8 OUTLIER -92.75 -44.93 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.193 178.848 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 540' ' ' CYS . . . . . 0.458 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.6 t -51.62 123.19 9.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.717 0.77 . . . . 0.0 111.675 -175.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 CA-C-N 114.843 -1.071 . . . . 0.0 113.101 179.395 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 499' ' ' ALA . . . . . 0.473 ' HB1' ' HA ' ' A' ' 510' ' ' GLU . . . -81.17 57.22 3.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.248 0.546 . . . . 0.0 110.831 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -140.15 -38.8 0.45 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.687 176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.18 -29.32 70.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.841 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 502' ' ' GLN . 2.7 pt20 -133.24 153.5 51.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.612 0.244 . . . . 0.0 110.512 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 3.2 p -128.88 127.31 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.356 -176.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.668 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 48.2 t -62.3 125.53 24.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.17 -16.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.857 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -103.77 -23.57 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.253 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 53.2 m -122.47 -87.32 0.64 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.129 0.49 . . . . 0.0 112.125 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -177.4 -162.11 27.07 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.717 -174.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 35.4 ptt180 -53.46 -9.86 0.21 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.473 ' HA ' ' HB1' ' A' ' 499' ' ' ALA . 7.0 mp0 -64.27 -3.78 3.15 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.668 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.17 139.96 4.26 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.429 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 50.0 ttm -148.26 -24.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.488 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.8 m -123.79 142.76 50.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.25 0.548 . . . . 0.0 111.252 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -106.77 164.17 12.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.763 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.9 t -77.13 125.62 29.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.346 0.593 . . . . 0.0 110.305 174.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 2.9 t -77.94 122.09 25.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 167.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.06 -52.65 0.82 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.57 146.51 44.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -109.11 21.12 17.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.554 ' HG3' HG13 ' A' ' 521' ' ' VAL . 20.1 ptmt -87.37 -23.47 24.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.906 -174.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.554 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -125.3 157.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 118.0 0.364 . . . . 0.0 110.381 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 147.2 51.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.368 0.604 . . . . 0.0 111.265 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.408 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 83.2 m-85 -125.84 -172.75 2.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 21.3 p -110.97 -34.47 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.411 0.624 . . . . 0.0 109.48 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.7 p -146.43 172.57 13.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.264 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 24.4 m -68.15 -25.63 65.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -60.23 -49.52 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.617 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 95.2 m -66.22 -35.68 81.07 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.464 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.565 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.1 tp60 -59.14 -48.59 81.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.061 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.89 -36.46 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.897 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.619 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -68.53 -36.88 79.46 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.634 -178.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 532' ' ' ASP . . . . . 0.619 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 30.3 t70 -72.17 -13.3 61.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 55.8 t-105 -59.44 -26.51 65.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.13 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -62.84 -35.78 81.07 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.427 -0.171 . . . . 0.0 110.6 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 34.8 t70 -93.25 -39.33 11.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.587 1.185 . . . . 0.0 109.53 171.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 57.7 t60 -66.01 -32.12 73.41 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.312 -169.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.5 -33.55 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.753 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 16.6 p80 -80.38 -20.37 44.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.049 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -92.73 -47.42 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.871 178.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.511 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.2 t -56.04 120.53 7.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.556 0.693 . . . . 0.0 110.651 -177.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 142.32 -40.18 1.3 Allowed Glycine 0 C--N 1.315 -0.591 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.856 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -73.88 -79.73 0.08 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.3 m 89.78 60.81 0.01 OUTLIER 'General case' 0 C--O 1.235 0.331 0 CA-C-O 122.054 0.931 . . . . 0.0 110.555 165.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.735 0 CA-C-N 114.281 -1.327 . . . . 0.0 108.332 175.582 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.311 -0.315 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -141.76 28.13 1.79 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.981 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 87.1 mtp -125.85 -18.11 5.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.941 0.4 . . . . 0.0 110.97 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.85 -23.61 66.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.316 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -130.1 152.89 49.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -175.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 16.0 m -126.15 128.07 46.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.938 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.703 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 33.2 t -61.15 123.42 17.64 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.7 -19.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.207 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 10.5 t30 -95.57 -39.76 9.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.909 -178.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.1 p -121.29 -73.6 0.64 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 119.337 -0.945 . . . . 0.0 112.558 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.405 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -167.63 -168.73 30.2 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.839 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -52.57 -9.24 0.11 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.193 1.182 . . . . 0.0 114.193 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.4 -2.69 0.52 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.784 0.434 . . . . 0.0 111.975 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.703 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.05 153.19 0.33 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.8 ttt -168.11 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.675 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.0 m -123.11 140.35 53.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.638 0.256 . . . . 0.0 110.384 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -100.87 163.59 12.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.819 0.343 . . . . 0.0 110.721 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.555 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.33 124.9 27.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.497 172.471 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.6 t -78.24 119.8 22.12 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 166.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.8 -50.1 0.9 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.598 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 13.2 p -144.7 145.76 31.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -108.33 24.94 12.27 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.705 ' HE3' ' HB3' ' A' ' 544' ' ' ALA . 5.7 ptpp? -85.96 -18.72 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.68 157.3 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.47 154.09 42.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.395 0.616 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.429 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 87.4 m-85 -126.41 -171.93 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.563 -1.199 . . . . 0.0 108.453 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 27.7 p -108.52 -44.3 4.11 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.76 0.791 . . . . 0.0 109.213 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 12.8 t -143.38 172.43 12.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.613 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.7 m -62.46 -28.03 69.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.25 -51.24 70.4 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.48 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 57.1 m -64.47 -35.75 81.95 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.137 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.555 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.1 -48.59 81.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.378 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -73.07 -31.89 64.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.239 0.542 . . . . 0.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -70.15 -43.42 70.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.413 0.625 . . . . 0.0 110.93 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -77.77 -11.51 59.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.026 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.518 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 76.6 t-105 -59.39 -27.2 65.78 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.341 -173.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -69.41 -30.02 67.88 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.678 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 539' ' ' ILE . 0.4 OUTLIER -93.95 -37.52 11.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.493 1.139 . . . . 0.0 109.676 170.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.2 t60 -65.71 -33.08 75.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.391 -173.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -62.27 -30.08 70.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -83.81 -22.61 31.73 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.153 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.512 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -90.38 -46.24 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.512 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.5 t -53.77 120.94 6.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.342 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 135.38 -22.05 3.58 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.491 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -66.02 146.41 54.73 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.5 m -75.54 90.36 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.733 -175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' ALA . . . . . 0.705 ' HB3' ' HE3' ' A' ' 520' ' ' LYS . . . . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.319 -0.848 . . . . 0.0 109.812 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 66.7 138.63 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.409 0.684 . . . . 0.0 112.02 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 5.2 mpp? 56.74 37.27 28.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.766 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -83.06 2.01 37.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.788 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.446 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 3.7 pm0 -137.83 141.49 40.8 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.501 -0.772 . . . . 0.0 108.992 -173.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.87 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 6.4 m -109.28 131.12 55.37 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.952 -176.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.574 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.7 t -61.11 120.92 11.23 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.45 -16.89 18.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.219 -174.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.552 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 18.5 t30 -98.59 -37.62 9.46 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 508' ' ' GLY . 17.4 p -123.53 -75.1 0.6 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 119.144 -1.022 . . . . 0.0 113.136 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -160.25 178.05 36.45 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.579 -174.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.87 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 3.0 ptm180 -54.59 -7.69 0.18 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -178.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -58.65 -0.93 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.248 0.619 . . . . 0.0 112.232 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.574 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.54 152.56 0.45 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.5 tpt -160.03 -28.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.348 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 144.4 49.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.712 0.291 . . . . 0.0 110.476 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -101.65 155.07 18.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 110.491 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.554 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.1 t -71.61 125.86 28.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.687 173.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 27.4 m -75.9 120.01 20.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 133.5 -46.87 1.03 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.363 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.23 165.51 23.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -129.99 26.97 5.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.968 173.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.529 ' HG3' HG13 ' A' ' 521' ' ' VAL . 18.7 ptmt -89.49 -26.5 20.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.529 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -130.12 159.0 42.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.693 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 156.91 39.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.427 0.632 . . . . 0.0 111.167 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 515' ' ' CYS . 82.1 m-85 -127.1 -171.86 2.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.749 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.9 p -112.29 -39.55 4.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.6 p -144.47 171.7 13.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.389 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 33.1 m -70.41 -23.94 62.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.979 0.419 . . . . 0.0 110.483 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.38 -50.11 74.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.552 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 66.8 m -65.62 -35.7 81.56 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.384 -0.526 . . . . 0.0 109.679 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.554 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.3 tp60 -57.48 -48.84 78.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.69 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -73.87 -30.68 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.314 0.578 . . . . 0.0 110.385 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.442 ' HD2' ' OD1' ' A' ' 506' ' ' ASN . 13.9 tmtt? -70.45 -42.8 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.416 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.66 -11.69 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.186 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 65.4 t-105 -59.75 -26.22 65.5 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.692 -172.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -68.51 -32.19 71.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.215 -0.303 . . . . 0.0 111.233 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 539' ' ' ILE . 25.5 t70 -92.78 -38.62 11.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.541 1.162 . . . . 0.0 109.606 170.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 80.2 t60 -67.97 -32.34 72.68 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.48 -169.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' GLN . . . . . 0.411 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 21.0 pt20 -59.23 -38.09 79.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -77.28 -18.93 57.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.627 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.5 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.84 -44.91 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.667 177.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.5 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.2 t -55.22 121.82 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.085 0.945 . . . . 0.0 111.336 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 145.23 -35.24 1.47 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.488 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -105.66 158.56 16.62 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 70.5 m -115.17 49.62 1.05 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.272 0.558 . . . . 0.0 110.126 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.557 178.446 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -129.75 117.16 19.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 52.5 ttm -70.3 -17.93 63.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.283 0.563 . . . . 0.0 110.623 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.13 -22.6 65.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.039 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -134.72 156.74 48.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.029 0.442 . . . . 0.0 111.129 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 68.3 m -130.56 137.66 49.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.328 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.899 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.2 t -60.4 124.28 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.33 -16.49 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.684 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -97.37 -32.19 12.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 5.0 m -122.44 -83.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.712 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.472 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.69 -156.29 17.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.624 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -52.23 -8.14 0.07 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.82 -2.22 8.99 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.142 -0.349 . . . . 0.0 111.55 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.62 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -47.96 148.2 1.77 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.438 0.637 . . . . 0.0 112.706 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.7 ptp -163.29 -24.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.555 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 26.3 m -123.7 151.05 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.408 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.02 163.51 14.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.57 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.7 t -79.54 124.81 28.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.126 175.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.2 m -77.39 122.21 24.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.28 -35.88 2.35 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.28 159.34 42.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -120.27 33.21 5.68 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.55 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.661 ' HG3' HG13 ' A' ' 521' ' ' VAL . 16.6 ptmt -106.97 -26.59 11.12 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.661 HG13 ' HG3' ' A' ' 520' ' ' LYS . 30.5 m -118.91 157.5 20.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.314 -0.866 . . . . 0.0 110.858 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.71 145.07 51.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -127.26 -176.96 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.727 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.899 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 3.6 p -121.65 -4.55 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.303 0.573 . . . . 0.0 109.811 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 46.9 t -164.97 160.53 19.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 27.3 m -69.36 -25.8 64.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.05 0.453 . . . . 0.0 110.011 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.91 -49.47 76.06 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.639 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -61.93 -35.6 78.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.063 0.459 . . . . 0.0 109.85 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.57 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.2 OUTLIER -59.42 -48.83 80.13 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.351 177.75 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -72.67 -30.79 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.699 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.495 ' C ' ' HD3' ' A' ' 531' ' ' LYS . 1.2 tmtp? -69.93 -44.31 69.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -74.7 -10.75 59.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.123 0.487 . . . . 0.0 111.02 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -59.34 -25.21 64.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.497 -173.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -65.92 -40.3 91.33 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 122.249 -0.282 . . . . 0.0 110.707 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.494 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 3.8 t70 -92.0 -36.91 13.13 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 122.716 1.246 . . . . 0.0 109.636 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.4 ' CE1' HG21 ' A' ' 521' ' ' VAL . 76.3 t60 -68.1 -32.07 72.12 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.577 -170.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -58.66 -38.68 78.68 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.678 -0.409 . . . . 0.0 112.085 -175.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.3 p80 -76.61 -18.13 58.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.738 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' ' 538' ' ' HIS . 0.5 OUTLIER -93.39 -44.69 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.419 177.727 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.461 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.5 t -53.21 122.19 9.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.759 0.79 . . . . 0.0 111.576 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 148.71 -19.52 1.28 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 114.198 -1.364 . . . . 0.0 111.307 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.431 ' O ' ' HD2' ' A' ' 520' ' ' LYS . 76.5 mt-30 -110.84 91.18 3.56 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.24 -0.48 . . . . 0.0 111.609 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.2 m -101.25 2.28 39.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.393 0.615 . . . . 0.0 109.496 171.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.159 -178.378 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 112.687 -0.165 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 64.64 35.82 8.78 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 170.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' MET . . . . . 0.454 ' HB2' ' HD3' ' A' ' 509' ' ' ARG . 23.7 ptt? -142.76 8.42 1.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.336 0.589 . . . . 0.0 109.536 169.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.94 -13.68 59.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.894 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -138.64 156.66 47.25 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.797 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 18.2 m -128.6 132.95 48.2 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.825 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.1 t -59.9 123.9 18.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.21 -16.63 14.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.76 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.97 -30.61 10.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.549 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.23 -82.49 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.53 -174.53 37.97 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.006 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.797 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 17.2 ptp180 -55.22 -8.44 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.22 -1.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -46.67 132.49 11.0 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.449 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 21.0 mmt -130.44 -27.1 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.875 -178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 24.8 t -123.9 156.3 36.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.2 0.524 . . . . 0.0 111.117 -170.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.22 163.94 15.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.52 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.58 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -78.41 127.58 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.384 0.611 . . . . 0.0 110.195 176.648 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 6.0 t -79.67 121.64 25.56 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 165.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.12 -52.52 0.83 Allowed Glycine 0 CA--C 1.501 -0.796 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -170.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 14.4 p -140.5 143.57 35.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 169.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -105.99 29.06 7.02 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.75 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.566 ' HG3' HG13 ' A' ' 521' ' ' VAL . 18.4 ptmt -95.28 -19.83 19.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.6 m -120.91 159.52 22.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.891 -0.505 . . . . 0.0 110.657 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.74 143.52 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 92.6 m-85 -124.06 178.59 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.577 -176.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.825 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.9 p -118.27 -18.75 9.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.09 0.471 . . . . 0.0 110.175 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.9 m -148.85 161.3 42.11 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.8 m -67.19 -26.65 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.27 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.938 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.09 -35.78 81.88 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.58 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.8 tp60 -59.33 -48.48 81.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -73.62 -31.67 63.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.272 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 531' ' ' LYS . 14.4 tmtt? -71.85 -42.85 66.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.643 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.91 -14.49 62.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.425 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.59 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 65.8 t-105 -57.64 -26.64 61.9 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.65 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -62.3 -36.31 81.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 33.8 t70 -93.68 -39.24 10.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.701 1.239 . . . . 0.0 109.734 169.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.59 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 67.3 t60 -64.98 -32.29 73.94 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.509 -168.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -59.91 -35.66 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.651 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.504 ' CE1' HG22 ' A' ' 539' ' ' ILE . 15.8 p80 -78.47 -22.29 47.75 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.952 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.504 HG22 ' CE1' ' A' ' 538' ' ' HIS . 0.5 OUTLIER -90.74 -46.5 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.849 179.023 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.477 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.9 t -53.44 121.27 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.754 0.788 . . . . 0.0 111.394 -175.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 149.26 -31.81 1.16 Allowed Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.338 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -88.6 150.83 22.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.867 -0.667 . . . . 0.0 110.042 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 23.8 m -126.08 -40.54 2.0 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.089 0.471 . . . . 0.0 110.413 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.403 178.598 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.299 -0.32 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -108.63 -64.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 50.4 mtt -148.69 33.55 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.459 0.647 . . . . 0.0 110.216 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -89.91 -10.51 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.957 0.884 . . . . 0.0 108.621 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.415 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.2 OUTLIER -136.66 159.7 41.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.226 -179.226 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.709 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 34.8 m -129.29 133.76 47.62 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.856 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.29 124.17 19.47 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.54 -18.07 19.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.421 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.28 -33.05 10.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.506 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -121.56 -83.85 0.66 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.085 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.44 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -165.87 -176.19 37.01 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.481 -174.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 39.5 mtp180 -54.21 -10.07 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.57 -0.91 0.47 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.609 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -44.96 113.83 0.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.455 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 53.8 ttp -121.99 -20.09 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.047 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 16.7 m -123.12 146.41 47.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.436 0.636 . . . . 0.0 111.752 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -112.53 165.8 11.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.388 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 523' ' ' TYR . 0.9 OUTLIER -78.02 124.99 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.418 0.628 . . . . 0.0 110.248 173.037 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 14.6 m -78.68 120.54 23.5 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 167.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.35 -49.1 0.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.391 -0.909 . . . . 0.0 111.465 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.6 p -141.66 150.22 41.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -119.71 31.37 6.59 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.055 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.513 ' HG3' HG13 ' A' ' 521' ' ' VAL . 17.6 ptpt -87.28 -30.11 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.513 HG13 ' HG3' ' A' ' 520' ' ' LYS . 33.4 m -121.87 158.7 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.3 149.15 52.12 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.505 0.669 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.412 ' CE1' ' HA ' ' A' ' 529' ' ' GLN . 89.3 m-85 -123.68 -172.13 2.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.826 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.856 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 12.0 p -121.18 -17.41 7.73 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.056 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 72.1 m -154.13 163.92 39.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 39.6 m -67.8 -24.93 65.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.705 0.288 . . . . 0.0 110.847 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -61.47 -49.46 76.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.266 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.57 78.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.215 0.531 . . . . 0.0 109.899 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.412 ' HA ' ' CE1' ' A' ' 523' ' ' TYR . 0.4 OUTLIER -63.85 -49.07 74.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.698 -179.785 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.81 -29.73 64.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.064 0.459 . . . . 0.0 111.039 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -71.15 -42.17 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.24 0.543 . . . . 0.0 110.044 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.32 -13.14 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.633 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 68.8 t-105 -59.79 -26.44 65.73 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.609 -172.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.61 -35.35 80.21 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.103 -0.373 . . . . 0.0 111.096 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 539' ' ' ILE . 26.1 t70 -93.0 -37.0 12.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.433 1.111 . . . . 0.0 109.603 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.3 t60 -67.87 -32.64 73.29 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.395 -170.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' GLN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 20.8 pt20 -59.8 -35.33 74.46 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.47 -20.74 39.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.436 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.9 OUTLIER -92.02 -44.05 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.165 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.459 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.9 t -54.05 122.07 9.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.586 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 148.07 -61.86 0.44 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.979 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -155.27 -178.3 7.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -174.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.9 m -133.95 -23.33 1.77 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.087 0.47 . . . . 0.0 110.467 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.717 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 112.362 -0.295 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -164.67 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.314 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 23.6 mmt -114.84 95.43 5.22 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -91.8 -7.47 49.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.776 -173.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.449 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 8.2 pt20 -134.54 155.59 50.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.546 -176.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.2 m -120.26 125.94 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.752 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 37.9 t -61.38 124.5 20.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.684 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.87 -20.31 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.404 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -93.46 -42.21 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.755 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 p -120.7 -70.84 0.76 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 119.126 -1.03 . . . . 0.0 112.023 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.439 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -178.46 -156.17 16.23 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.444 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -7.87 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.83 -4.62 4.6 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.005 0.366 . . . . 0.0 111.847 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.752 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -51.06 148.38 4.44 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 56.8 ttp -166.9 -27.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.179 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.1 m -122.56 155.57 36.0 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.558 0.218 . . . . 0.0 110.607 -173.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -120.97 155.56 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.566 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.551 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -70.77 127.54 33.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.546 0.688 . . . . 0.0 110.362 177.107 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 m -77.5 120.42 22.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 165.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.42 -53.53 0.8 Allowed Glycine 0 C--N 1.31 -0.899 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.529 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 12.7 p -138.84 144.32 39.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -114.64 37.92 3.27 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.36 0.6 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.543 ' HG3' HG13 ' A' ' 521' ' ' VAL . 6.4 ptpp? -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.346 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.543 HG13 ' HG3' ' A' ' 520' ' ' LYS . 30.9 m -127.76 160.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -177.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.6 153.33 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.459 0.647 . . . . 0.0 110.688 177.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.429 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 92.6 m-85 -124.89 -171.6 2.39 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.372 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.597 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.0 p -107.44 -44.42 4.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.854 0.835 . . . . 0.0 109.224 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 47.9 t -145.89 168.14 21.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.506 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 12.9 m -60.93 -24.33 65.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.282 . . . . 0.0 111.402 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.57 -50.54 73.49 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.258 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.0 -35.32 80.26 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.406 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.551 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.9 tp60 -58.99 -48.47 81.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.185 0.517 . . . . 0.0 110.002 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -73.47 -31.17 63.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.151 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -73.69 -42.9 60.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.02 -14.79 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.59 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -58.79 -27.27 64.86 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.637 -176.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -63.85 -33.24 75.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.949 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -94.0 -40.59 10.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.622 1.201 . . . . 0.0 109.438 170.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.59 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.8 t60 -64.53 -32.02 73.48 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.138 -168.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -60.95 -33.24 72.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.796 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -80.83 -21.0 41.18 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.738 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.498 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.95 -47.34 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.891 178.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.498 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.8 t -54.71 120.67 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.564 0.697 . . . . 0.0 110.689 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 138.33 -24.02 2.96 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.582 -175.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -85.83 150.77 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 40.4 t 57.03 55.92 5.69 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.247 0.546 . . . . 0.0 110.276 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.225 -179.756 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 63.71 22.31 13.05 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.006 0.431 . . . . 0.0 111.217 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 65.9 mtt -134.46 18.84 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.426 0.631 . . . . 0.0 109.628 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -106.34 -4.84 19.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.229 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.4 149.67 48.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.658 -1.156 . . . . 0.0 109.674 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.648 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 41.7 m -117.72 131.3 56.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.677 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 45.5 t -60.56 123.38 17.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 14.4 p -65.32 -20.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.837 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 12.5 t30 -96.58 -34.85 11.28 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.736 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.5 p -127.12 -75.08 0.58 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.95 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.437 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -163.1 -175.85 34.54 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 119.542 -1.313 . . . . 0.0 114.288 -175.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.648 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 96.3 mtt180 -53.8 -9.97 0.27 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -61.87 0.62 0.35 Allowed 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 122.669 0.388 . . . . 0.0 111.886 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.677 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.49 163.79 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.5 ttt -178.44 -28.21 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.064 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 10.7 t -119.87 155.09 33.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.011 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -124.87 162.77 23.64 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -172.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 126.05 29.31 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.442 0.639 . . . . 0.0 109.996 174.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.2 m -79.58 121.0 24.7 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 166.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.9 -50.75 0.88 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.6 ' HB2' ' HZ3' ' A' ' 520' ' ' LYS . 10.1 p -142.5 144.72 33.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 170.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -114.77 37.9 3.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.605 0.716 . . . . 0.0 109.912 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.6 ' HZ3' ' HB2' ' A' ' 518' ' ' CYS . 4.7 ptpp? -94.3 -21.36 19.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.486 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.554 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.5 m -120.79 160.01 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 110.666 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.78 145.8 51.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.533 0.682 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -126.2 -169.14 1.96 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.566 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 31.9 p -112.63 -41.62 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.395 0.616 . . . . 0.0 109.477 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.0 p -139.14 172.11 13.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.897 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 26.6 m -67.76 -25.96 65.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 0.0 110.345 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -60.72 -50.47 73.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.374 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 58.4 m -65.45 -35.06 79.79 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.165 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -48.39 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.29 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -73.34 -31.16 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -70.55 -42.92 70.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.06 -12.98 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.912 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 73.3 t-105 -59.37 -26.89 65.47 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.79 -176.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.53 -36.53 78.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.041 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 539' ' ' ILE . 28.7 t70 -93.41 -38.77 11.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.529 1.157 . . . . 0.0 109.558 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -66.5 -31.71 72.61 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.176 -168.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -61.46 -36.21 79.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.716 -0.393 . . . . 0.0 112.006 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.6 p80 -78.94 -18.67 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.242 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.6 OUTLIER -93.67 -45.6 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.95 178.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.485 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.93 120.38 6.28 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.816 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 140.95 -28.99 2.36 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.66 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -78.65 150.55 32.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 47.7 m -112.9 -46.77 3.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.595 0.236 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.189 -179.413 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -157.84 -9.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 27.1 ttt -157.38 -25.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.546 -0.462 . . . . 0.0 112.022 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 501' ' ' GLU . 1.6 pm0 -77.87 -3.96 44.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.421 ' NE2' ' HG2' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -137.44 151.89 48.99 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.661 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.7 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 3.7 p -128.79 134.49 48.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.782 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.3 t -59.73 124.19 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.12 -15.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.834 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -101.14 -28.99 12.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.5 m -128.99 -86.06 0.55 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -167.62 -171.15 33.29 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.44 -174.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.7 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 98.0 mtt180 -54.25 -10.36 0.37 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.56 -0.83 1.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.885 0.374 . . . . 0.0 111.965 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -44.88 119.89 2.13 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.467 178.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 25.2 ttt -127.03 -21.46 3.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.753 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 40.8 m -123.01 144.93 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.384 0.611 . . . . 0.0 111.157 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.65 162.89 14.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.392 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.46 121.64 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.405 0.621 . . . . 0.0 109.658 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.4 m -78.78 118.71 21.1 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 165.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.92 -56.85 0.73 Allowed Glycine 0 C--N 1.311 -0.851 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -167.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.5 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 11.9 p -141.48 145.28 35.02 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 170.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -109.9 28.51 8.52 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.56 ' HG3' HG13 ' A' ' 521' ' ' VAL . 13.5 ptmm? -86.36 -20.1 28.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.793 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.56 HG13 ' HG3' ' A' ' 520' ' ' LYS . 36.0 m -132.97 160.11 42.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.949 0.404 . . . . 0.0 110.163 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.33 153.34 47.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -126.82 179.88 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.305 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.782 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.1 p -120.76 -8.5 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.167 -176.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 82.8 p -152.96 164.16 38.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.2 m -67.81 -28.14 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.35 0.595 . . . . 0.0 109.468 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.01 -47.94 82.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.088 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.529 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 35.7 m -59.97 -36.6 77.5 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.46 -47.97 83.81 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.776 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -72.23 -37.5 69.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.749 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -69.28 -37.33 77.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.596 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 532' ' ' ASP . . . . . 0.749 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 26.2 t70 -72.88 -14.16 61.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.676 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -57.79 -30.8 65.97 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.644 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -58.26 -42.29 86.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.311 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 539' ' ' ILE . 11.3 m-20 -93.08 -36.12 12.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.107 0.956 . . . . 0.0 110.243 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 539' ' ' ILE . 63.3 t60 -67.42 -34.7 77.78 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.509 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -58.94 -35.24 72.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.896 -175.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -82.03 -22.73 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.076 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 535' ' ' ASP . 1.0 OUTLIER -89.05 -45.42 15.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.251 178.361 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.411 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.0 t -52.41 121.79 7.62 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.726 -178.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 143.35 -35.56 1.64 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.723 -177.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -77.02 85.57 3.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.975 0.417 . . . . 0.0 110.494 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 21.6 m -147.49 141.86 26.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.863 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.072 178.834 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 65.76 -174.26 0.18 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 122.815 0.446 . . . . 0.0 110.364 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 65.8 mtt -130.47 38.78 3.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.368 0.604 . . . . 0.0 110.353 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -81.58 -39.29 24.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.261 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.504 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 7.4 pt20 -133.95 153.4 51.79 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.698 -171.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.8 p -118.93 125.32 49.18 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.677 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.1 t -60.63 125.84 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.29 -18.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.983 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -101.35 -24.95 14.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.055 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' CYS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 69.2 m -120.53 -82.29 0.65 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -171.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 165.49 -149.7 16.41 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -176.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -53.38 -10.4 0.23 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.36 3.94 0.83 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 123.794 0.838 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.677 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -71.74 170.69 13.03 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.097 -0.377 . . . . 0.0 110.929 -166.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.1 tpp -173.45 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.428 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 39.9 m -119.83 145.54 46.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -113.75 164.03 14.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.093 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.478 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -76.38 125.78 29.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.937 174.766 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 3.7 t -79.4 120.58 24.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.33 -54.96 0.77 Allowed Glycine 0 C--N 1.31 -0.867 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 11.2 p -143.39 144.91 32.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -114.34 33.0 5.55 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.516 ' HG3' HG13 ' A' ' 521' ' ' VAL . 9.5 ptmm? -87.63 -16.59 34.01 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.272 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 520' ' ' LYS . 31.2 m -129.77 161.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.09 146.56 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 0.0 111.232 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.421 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 28.5 m-85 -125.87 -170.83 2.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.638 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 21.8 p -113.97 -37.8 4.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.318 0.58 . . . . 0.0 109.446 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.2 p -142.7 165.01 28.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.25 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.9 m -64.73 -22.8 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -59.77 -49.68 76.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.796 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.65 -35.46 80.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.852 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.478 ' OE1' ' HB2' ' A' ' 515' ' ' CYS . 37.1 tp60 -59.03 -48.5 81.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.063 0.459 . . . . 0.0 110.022 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -73.06 -30.24 63.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.24 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.27 -42.38 88.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.558 . . . . 0.0 110.5 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.71 -11.87 59.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.944 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.519 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 70.9 t-105 -60.37 -29.48 68.95 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -170.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.33 -28.28 66.1 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.96 -175.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.515 ' O ' HG23 ' A' ' 539' ' ' ILE . 0.8 OUTLIER -93.61 -38.4 11.37 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 122.479 1.133 . . . . 0.0 109.439 171.162 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.2 t60 -67.07 -33.17 74.91 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.599 -173.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' GLN . . . . . 0.442 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 21.0 pt20 -61.15 -33.44 73.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -175.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.1 p80 -81.62 -21.4 38.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.14 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -91.72 -45.21 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.826 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.495 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.3 t -53.04 121.45 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.032 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 136.04 -18.83 3.73 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.258 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -84.98 87.2 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.621 0.248 . . . . 0.0 110.542 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.7 m -60.59 98.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.592 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.401 179.783 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 67.81 45.57 1.4 Allowed 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.193 0.597 . . . . 0.0 110.917 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' MET . . . . . 0.66 ' HA ' ' HB2' ' A' ' 509' ' ' ARG . 34.5 mtm -150.97 -11.98 0.22 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.004 174.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.53 ' CD ' ' H ' ' A' ' 501' ' ' GLU . 1.0 OUTLIER -81.6 -15.59 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.616 -173.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.497 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.7 OUTLIER -137.72 147.59 44.91 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.577 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.4 p -120.87 128.61 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.161 0.505 . . . . 0.0 112.158 -174.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.732 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 41.9 t -64.59 129.21 38.99 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 175.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -21.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.764 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -99.25 -29.22 12.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.73 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' CYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 62.8 m -121.07 -49.23 2.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -167.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . 128.14 -150.73 18.53 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.586 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.66 ' HB2' ' HA ' ' A' ' 500' ' ' MET . 13.3 ptp180 -53.09 -12.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -175.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.23 -4.34 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.732 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -50.73 150.79 2.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 47.0 ttm -153.92 -27.86 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.335 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.6 t -122.87 155.53 36.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.521 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -117.16 163.48 16.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.49 124.27 27.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.742 174.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 60.5 m -77.67 120.16 22.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.57 -59.8 0.68 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -168.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.7 p -134.72 144.15 47.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.57 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -112.16 32.57 5.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.06 0.457 . . . . 0.0 110.077 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -86.82 -28.87 22.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.14 157.81 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.45 152.09 47.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.34 0.59 . . . . 0.0 110.757 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -125.67 -172.56 2.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.956 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 25.0 p -108.87 -37.46 5.85 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 6.0 p -145.4 171.78 14.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.146 -177.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -62.26 -29.95 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -59.92 -49.21 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.133 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 67.6 m -65.78 -35.05 79.6 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.854 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -60.65 -49.33 77.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 109.892 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' ARG . . . . . 0.415 ' HD3' ' HA ' ' A' ' 530' ' ' ARG . 22.1 mmt180 -72.54 -32.47 66.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.092 -177.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.481 ' HB3' ' NZ ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER -69.7 -41.74 74.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.303 178.44 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.91 -13.28 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.603 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 67.7 t-105 -58.27 -30.81 66.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.093 -173.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 119.721 -0.18 . . . . 0.0 111.349 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 539' ' ' ILE . 29.1 t70 -93.0 -37.84 11.97 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.342 1.068 . . . . 0.0 109.663 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -67.23 -32.63 73.79 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.411 -170.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -59.84 -38.16 81.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -79.67 -21.7 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.984 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.04 -44.92 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.342 178.764 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.445 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.4 t -53.07 121.77 8.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.395 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 144.54 -31.42 1.79 Allowed Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.283 -175.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 66.58 -79.97 0.03 OUTLIER 'General case' 0 C--N 1.339 0.111 0 C-N-CA 123.912 0.885 . . . . 0.0 111.517 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.7 p -84.2 64.41 8.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.361 0.601 . . . . 0.0 110.885 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.173 178.929 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.957 -0.457 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -106.56 125.56 51.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.01 0.434 . . . . 0.0 111.601 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -151.45 18.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 110.02 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -103.27 -1.27 29.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.183 -175.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.591 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.0 OUTLIER -144.22 146.92 32.98 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.393 -175.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 75.4 m -125.55 137.92 53.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.132 0.491 . . . . 0.0 112.08 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.833 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.6 t -60.07 127.72 33.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.98 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.06 -11.92 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -104.5 -31.42 9.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.69 -86.35 0.65 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.443 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -176.6 -158.95 21.22 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.479 -0.867 . . . . 0.0 113.221 -174.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 509' ' ' ARG . 14.9 mtp180 -51.66 -11.61 0.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -173.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 512' ' ' MET . 20.7 tt0 -67.21 -1.87 5.04 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.665 0.269 . . . . 0.0 111.372 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.673 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -49.62 115.78 1.5 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.202 0.525 . . . . 0.0 112.293 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.621 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 25.6 mmt -123.27 -22.68 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.695 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.9 m -123.93 152.79 42.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 111.451 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -111.65 164.19 13.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.17 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.4 t -76.62 126.94 31.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.398 0.618 . . . . 0.0 109.901 173.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.8 m -77.56 120.51 22.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.51 -52.15 0.84 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.158 -171.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.4 p -136.77 146.05 45.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -109.8 25.64 11.56 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.193 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 520' ' ' LYS . 14.4 ptpt -87.3 -27.11 23.07 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.978 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 30.8 m -127.54 156.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.028 -0.42 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.69 153.11 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 111.396 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.431 ' HE1' ' HB2' ' A' ' 515' ' ' CYS . 89.8 m-85 -125.45 -178.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.459 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.833 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 8.9 p -117.63 -25.53 6.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.089 0.471 . . . . 0.0 110.032 -177.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.2 m -143.87 162.34 36.36 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 28.7 m -66.48 -27.12 67.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.108 0.48 . . . . 0.0 110.146 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -60.08 -48.17 82.85 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.071 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.69 0.281 . . . . 0.0 110.308 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.565 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.3 tp60 -59.63 -48.93 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.345 0.593 . . . . 0.0 110.05 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -73.87 -35.16 64.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.496 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -65.47 -43.61 89.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.126 0.489 . . . . 0.0 110.957 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.67 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.448 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -59.95 -26.07 65.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.162 -174.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -68.7 -32.81 72.88 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.62 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 539' ' ' ILE . 1.8 t0 -93.51 -37.31 11.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.484 1.135 . . . . 0.0 109.435 170.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.4 t60 -67.69 -33.09 74.22 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.922 -170.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.4 -38.01 76.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.9 p80 -79.04 -22.47 45.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.893 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.526 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -87.77 -45.88 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.316 -0.553 . . . . 0.0 109.875 178.658 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.526 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.5 t -55.28 121.3 8.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.598 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 144.4 -20.71 2.06 Favored Glycine 0 CA--C 1.501 -0.81 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.528 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -70.97 145.93 49.75 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.751 -0.725 . . . . 0.0 109.792 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.8 t -112.81 -0.68 14.87 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.68 0.753 . . . . 0.0 109.081 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.706 178.507 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.026 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -75.35 74.31 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.266 0.555 . . . . 0.0 110.391 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' MET . . . . . 0.543 ' SD ' ' HD3' ' A' ' 509' ' ' ARG . 55.7 mtm -82.72 59.63 4.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.052 -175.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.477 ' HG3' ' HG2' ' A' ' 502' ' ' GLN . 6.5 pt-20 -79.26 -20.05 49.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.783 0.802 . . . . 0.0 110.262 176.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.477 ' HG2' ' HG3' ' A' ' 501' ' ' GLU . 8.0 pt20 -132.12 162.26 31.28 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.734 -172.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 8.4 p -128.62 128.67 44.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.689 0.28 . . . . 0.0 110.254 177.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.7 t -60.63 123.09 16.4 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.06 -14.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.938 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -99.91 -34.43 10.13 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.095 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -122.03 -83.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -173.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.456 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.41 -170.39 33.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.873 -175.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 4.1 ppt_? -53.48 -7.81 0.12 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.07 -2.95 1.45 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.509 0.323 . . . . 0.0 111.665 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.625 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -50.66 154.34 1.4 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.6 ptp -165.65 -20.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.032 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.2 m -124.04 154.57 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.909 -0.495 . . . . 0.0 110.856 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -115.32 154.81 28.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.758 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.545 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.37 125.8 29.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.552 177.099 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.8 m -76.93 121.09 22.95 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 134.32 -32.03 2.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.9 p -145.13 177.17 8.98 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 170.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -129.51 28.83 5.14 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 164.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.646 ' HG2' HG13 ' A' ' 521' ' ' VAL . 3.0 ttmm -90.51 -30.08 17.5 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.942 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.646 HG13 ' HG2' ' A' ' 520' ' ' LYS . 34.1 m -118.59 160.13 18.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 121.215 0.531 . . . . 0.0 111.487 -175.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.1 143.02 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 -178.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.404 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 98.0 m-85 -125.51 178.88 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.773 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 4.9 p -120.46 -13.26 8.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 109.896 -176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 19.8 m -154.77 163.67 39.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.8 m -71.29 -28.14 63.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.429 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.8 -47.21 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.797 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.48 -36.39 83.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 110.268 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.545 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.8 OUTLIER -56.09 -48.78 75.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.124 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -73.38 -29.49 62.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.484 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.5 -43.25 60.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 110.518 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -74.88 -12.61 60.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.938 0.399 . . . . 0.0 111.074 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -58.12 -30.11 66.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.723 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -59.18 -38.52 80.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.354 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 24.9 t70 -92.56 -41.15 10.39 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.488 1.137 . . . . 0.0 109.845 173.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -65.53 -31.84 73.11 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.033 -169.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -60.19 -34.93 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 112.059 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.3 p80 -79.16 -20.37 48.65 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.861 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.521 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -93.36 -45.61 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.649 178.623 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.521 ' N ' HG13 ' A' ' 539' ' ' ILE . 13.2 t -55.05 121.57 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.385 0.612 . . . . 0.0 111.293 -177.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 110.41 -11.35 30.85 Favored Glycine 0 C--N 1.316 -0.566 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.753 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -81.15 -82.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.8 t -104.71 151.88 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' ALA . . . . . 0.446 ' HA ' ' HE2' ' A' ' 520' ' ' LYS . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.279 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 499' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' A' ' 501' ' ' GLU . . . -61.89 -57.49 11.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.733 0.301 . . . . 0.0 110.772 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 500' ' ' MET . . . . . 0.516 ' HA ' ' HB2' ' A' ' 509' ' ' ARG . 66.8 mtt 68.15 -14.22 0.25 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.911 173.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' A' ' 499' ' ' ALA . 7.5 pt-20 -68.96 -20.63 64.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.386 0.612 . . . . 0.0 110.439 176.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.435 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 7.3 pt20 -138.55 154.07 48.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.205 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 5.5 p -121.2 129.2 53.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.888 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.725 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 43.1 t -59.14 123.15 15.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.35 -18.11 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.522 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -97.98 -30.8 12.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 8.7 m -122.44 -82.94 0.65 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.447 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -179.99 -162.46 28.91 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.048 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.516 ' HB2' ' HA ' ' A' ' 500' ' ' MET . 32.6 ptt180 -54.69 -8.24 0.23 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -174.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 512' ' ' MET . 10.4 tp10 -67.4 -2.01 5.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.683 0.278 . . . . 0.0 111.078 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.725 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.3 137.99 10.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.293 0.568 . . . . 0.0 112.333 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 23.6 mmt -143.49 -28.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.12 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.0 m -123.41 155.28 37.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -171.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.09 164.62 16.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.92 123.68 28.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.24 175.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.3 m -80.07 120.41 24.19 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 167.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.85 -57.78 0.72 Allowed Glycine 0 C--N 1.312 -0.786 0 C-N-CA 120.314 -0.946 . . . . 0.0 110.813 -168.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.656 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 9.3 p -135.53 144.33 46.22 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -113.75 35.05 4.24 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.656 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 18.0 ptpt -86.88 -25.77 24.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.429 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 520' ' ' LYS . 20.1 m -128.05 163.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 0.0 111.319 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.51 147.96 52.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.817 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -123.56 -174.63 3.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.567 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 7.6 p -124.8 4.23 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.167 0.508 . . . . 0.0 110.064 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 79.4 p -170.25 162.01 8.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 16.2 m -69.31 -24.46 63.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 109.925 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -63.35 -48.72 76.79 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.79 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 55.6 m -58.67 -35.89 73.29 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.939 0.399 . . . . 0.0 109.95 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -48.45 78.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.649 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -71.59 -30.48 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.081 0.467 . . . . 0.0 111.279 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -71.73 -42.55 67.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.55 -13.47 60.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.789 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.571 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 74.1 t-105 -58.5 -26.11 63.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.407 -173.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -68.88 -30.94 69.55 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.119 -0.363 . . . . 0.0 111.266 -176.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 4.7 t0 -94.47 -37.9 11.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.798 1.285 . . . . 0.0 109.043 170.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.64 -33.89 76.66 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.472 -170.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.68 -36.87 74.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.0 p80 -82.69 -20.01 36.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.233 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 536' ' ' HIS . 1.0 OUTLIER -91.8 -42.16 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.138 0.495 . . . . 0.0 110.59 178.037 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.424 ' N ' HG13 ' A' ' 539' ' ' ILE . 18.7 t -51.48 121.49 6.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.117 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 157.97 -84.29 0.13 Allowed Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.05 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -142.14 162.24 35.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 50.9 m -153.1 135.35 14.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.351 178.15 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -88.37 129.44 35.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.762 0.315 . . . . 0.0 110.248 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' MET . . . . . 0.468 ' HA ' ' HD2' ' A' ' 509' ' ' ARG . 89.4 mtp -85.54 10.5 12.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 -176.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.67 -26.93 20.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.413 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 12.6 pt20 -136.02 160.22 39.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.527 -170.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.1 p -129.12 130.9 47.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.531 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.18 125.51 23.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.27 -17.84 20.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.619 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -98.73 -28.48 13.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.365 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 13.0 m -122.78 -82.92 0.65 Allowed 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.486 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 176.05 -156.46 21.49 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.576 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.468 ' HD2' ' HA ' ' A' ' 500' ' ' MET . 3.6 tpp180 -53.05 -8.7 0.11 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.7 -4.07 8.06 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 122.364 -0.21 . . . . 0.0 111.485 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.712 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -47.67 149.58 1.2 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.8 ttm -162.18 -28.55 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.471 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 37.8 m -118.63 138.31 52.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.585 0.707 . . . . 0.0 110.803 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 514' ' ' GLU . 8.0 pt-20 -108.31 162.07 14.43 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.108 -175.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.459 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -73.35 127.59 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.441 0.639 . . . . 0.0 110.55 174.703 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 120.5 23.01 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 162.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.45 -57.61 0.72 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -139.94 145.48 37.98 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -113.06 32.46 5.71 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.618 ' HG3' HG13 ' A' ' 521' ' ' VAL . 12.9 ptmm? -87.72 -25.6 23.36 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.472 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.618 HG13 ' HG3' ' A' ' 520' ' ' LYS . 14.0 m -122.31 159.61 25.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.008 0.432 . . . . 0.0 110.943 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.97 144.87 51.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.332 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 34.0 m-85 -125.53 -174.98 3.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.148 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.724 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.2 p -121.89 -9.13 8.83 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.265 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 48.2 t -161.57 162.36 30.13 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.048 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 57.7 m -67.41 -25.16 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.097 0.475 . . . . 0.0 110.193 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.08 -48.94 79.37 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.738 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.7 m -64.4 -35.32 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.352 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.459 ' OE1' ' HB2' ' A' ' 515' ' ' CYS . 36.6 tp60 -60.63 -48.16 83.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.745 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 41.1 ttp-105 -72.12 -31.96 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.465 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -70.18 -42.28 72.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.422 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.4 -11.52 60.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.117 0.484 . . . . 0.0 111.161 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.489 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.2 t-105 -60.04 -26.53 66.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.848 -171.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -68.4 -31.7 71.23 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 122.131 -0.356 . . . . 0.0 110.738 -176.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.513 ' O ' HG23 ' A' ' 539' ' ' ILE . 37.0 m-20 -94.39 -35.2 12.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.803 0.811 . . . . 0.0 110.09 171.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 55.1 t60 -67.41 -34.4 77.17 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.684 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -60.23 -34.75 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.997 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -81.54 -22.11 38.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.334 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.24 -44.79 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.628 178.648 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.442 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.0 t -53.14 122.23 9.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.362 -177.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 125.69 8.49 5.24 Favored Glycine 0 C--N 1.319 -0.395 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.499 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 63.89 -149.79 0.31 Allowed 'General case' 0 C--O 1.233 0.234 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.7 m -118.18 -60.28 1.81 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.054 0.454 . . . . 0.0 110.462 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.245 -177.056 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -130.18 19.69 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -148.38 11.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.119 0.485 . . . . 0.0 109.799 175.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -75.87 -32.47 59.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.554 0.692 . . . . 0.0 110.091 -175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.423 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 9.1 pt20 -136.3 158.69 43.82 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.186 176.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 7.9 p -127.85 126.3 41.36 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.692 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 41.9 t -60.27 122.75 15.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.42 -16.04 15.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.741 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -100.85 -26.75 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.5 m -122.94 -80.89 0.63 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 173.31 -153.86 18.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.533 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -51.25 -13.35 0.18 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.59 -1.69 9.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.739 0.305 . . . . 0.0 111.802 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.692 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.86 139.56 9.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 112.586 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.474 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 64.7 mtt -149.38 -27.66 0.27 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.959 -177.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.9 t -122.28 155.04 36.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.118 0.485 . . . . 0.0 110.226 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -123.91 163.87 20.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -172.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.618 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.63 126.69 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.567 0.699 . . . . 0.0 110.579 173.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 1.8 t -77.58 120.02 21.95 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.782 164.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.18 -51.89 0.84 Allowed Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.562 ' HB2' ' NZ ' ' A' ' 520' ' ' LYS . 9.1 p -145.36 145.61 31.25 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.892 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -113.65 29.98 7.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.281 0.563 . . . . 0.0 109.586 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.562 ' NZ ' ' HB2' ' A' ' 518' ' ' CYS . 4.8 ptpp? -87.02 -21.09 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.738 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.517 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.2 m -125.83 158.35 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.15 146.51 52.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.541 0.686 . . . . 0.0 111.568 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.6 -173.69 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.11 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.4 p -120.86 -14.36 8.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.183 0.516 . . . . 0.0 109.895 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 40.2 t -157.12 160.77 39.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 56.9 m -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.063 0.459 . . . . 0.0 110.219 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.88 -49.14 78.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.615 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -64.4 -35.12 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.165 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.618 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.57 -48.95 79.21 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.035 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -73.15 -30.98 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.32 -41.78 89.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.114 0.483 . . . . 0.0 109.827 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -78.72 -11.7 59.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.427 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.438 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -58.59 -29.27 66.31 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -172.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.62 -42.83 79.46 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 122.346 0.258 . . . . 0.0 110.896 177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 539' ' ' ILE . 24.0 t70 -92.25 -36.56 13.17 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.204 1.002 . . . . 0.0 109.812 176.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.9 t60 -68.01 -33.02 73.82 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.205 -170.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.44 -38.54 77.7 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.794 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.4 p80 -80.03 -22.7 42.1 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.398 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -88.32 -43.82 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.236 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.505 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.96 120.83 6.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 123.4 -6.51 9.21 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.355 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -79.14 150.27 31.78 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 66.6 m 62.14 43.64 8.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.417 0.627 . . . . 0.0 110.767 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.568 178.061 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -149.83 -73.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 22.8 ptp -78.2 10.72 2.77 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.605 -174.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -82.73 -12.33 57.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.473 0.654 . . . . 0.0 109.534 174.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 8.6 pt20 -134.39 165.14 25.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.38 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 55.5 p -129.08 123.77 33.1 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.368 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.724 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 49.3 t -60.55 122.59 15.05 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.3 -15.86 18.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.745 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -97.04 -33.56 11.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.242 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.96 -81.92 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.799 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.436 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -174.2 -166.76 32.77 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.04 -1.076 . . . . 0.0 113.552 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.579 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.8 mpt_? -56.0 -8.15 0.41 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.26 0.58 3.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.735 0.302 . . . . 0.0 111.438 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.724 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.87 155.19 0.28 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.727 0.775 . . . . 0.0 113.075 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.9 ttt -159.05 -24.54 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.026 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.5 t -121.82 154.98 36.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.29 0.567 . . . . 0.0 110.943 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -123.09 158.43 30.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.695 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.517 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.3 OUTLIER -75.92 128.15 34.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.335 0.588 . . . . 0.0 110.861 178.416 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 m -78.39 120.32 22.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 164.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.64 -52.5 0.83 Allowed Glycine 0 CA--C 1.5 -0.899 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.1 p -144.55 144.03 31.11 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -109.67 30.83 6.3 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.549 ' HG3' HG13 ' A' ' 521' ' ' VAL . 11.1 ptmm? -86.43 -24.4 25.7 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.114 -176.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.549 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.9 m -124.44 160.32 29.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.83 0.348 . . . . 0.0 110.122 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.44 148.24 51.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.841 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -126.7 -173.8 2.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.776 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.0 p -126.66 0.84 6.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.543 . . . . 0.0 110.135 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 37.3 t -167.25 161.08 14.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 17.8 m -64.92 -28.69 69.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.462 . . . . 0.0 110.136 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -61.13 -48.51 81.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.747 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.517 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.08 -48.63 79.58 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.14 177.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -73.25 -34.01 65.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.336 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -62.3 -42.34 99.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.873 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.32 -12.2 59.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.39 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -60.32 -26.53 66.62 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -68.49 -31.81 71.34 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.038 -0.414 . . . . 0.0 110.539 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 539' ' ' ILE . 39.0 t70 -93.11 -38.1 11.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.592 1.186 . . . . 0.0 109.718 170.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.55 -33.81 76.5 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.372 -1.285 . . . . 0.0 111.012 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -59.09 -34.36 71.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.0 p80 -83.55 -25.43 30.98 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.31 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.8 OUTLIER -86.28 -44.17 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.084 0.469 . . . . 0.0 110.472 179.463 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.44 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.9 t -52.14 122.87 9.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.865 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 119.28 -10.87 11.59 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.245 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -75.95 -17.35 59.77 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 117.465 0.633 . . . . 0.0 110.856 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 21.1 m -114.41 23.94 12.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.103 0.477 . . . . 0.0 110.331 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.166 179.629 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 54.53 27.54 8.55 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.196 0.598 . . . . 0.0 112.486 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 14.1 tpt -174.6 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.494 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.07 -39.56 86.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.027 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.451 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 6.8 pt20 -135.4 152.54 51.51 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -173.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.4 m -116.81 123.01 46.05 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.857 0.36 . . . . 0.0 111.512 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.736 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.2 t -59.85 124.98 21.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 175.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.53 -12.34 10.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -104.12 -24.13 13.21 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.126 175.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 39.6 m -121.82 -84.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.107 -0.37 . . . . 0.0 111.93 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 172.62 -154.24 20.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.017 -176.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -52.51 -9.48 0.11 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -175.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.07 -4.17 19.86 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.736 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -52.93 146.56 10.67 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.3 ttt -145.52 -28.6 0.44 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.46 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 23.0 t -122.3 155.87 35.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.065 0.46 . . . . 0.0 110.633 -167.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -118.01 163.4 16.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.569 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -80.67 127.54 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.595 176.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 4.3 m -79.72 120.72 24.41 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 164.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 132.21 -49.24 0.93 Allowed Glycine 0 C--N 1.313 -0.713 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -170.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 16.7 p -145.01 143.98 30.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -108.58 37.59 2.47 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.321 0.582 . . . . 0.0 109.47 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.626 ' HG3' HG13 ' A' ' 521' ' ' VAL . 12.5 ptmm? -99.17 -24.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.801 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.626 HG13 ' HG3' ' A' ' 520' ' ' LYS . 18.1 m -121.79 162.05 21.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.933 0.397 . . . . 0.0 110.815 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.85 149.94 52.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.155 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -125.05 -174.2 2.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.645 -1.161 . . . . 0.0 108.555 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.9 p -117.1 -32.75 4.93 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 13.0 m -138.99 165.27 27.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.239 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -69.14 -25.37 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.084 0.469 . . . . 0.0 110.501 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -60.23 -47.69 84.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.109 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.521 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 27.1 m -63.97 -35.74 81.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.569 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.78 -48.32 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.898 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -73.1 -35.21 66.55 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.313 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.572 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -72.98 -37.49 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.108 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 532' ' ' ASP . . . . . 0.572 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 29.7 t70 -70.53 -14.89 62.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 59.5 t-105 -58.69 -26.41 63.83 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.489 -173.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.54 -33.91 76.73 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 122.255 -0.278 . . . . 0.0 111.171 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 539' ' ' ILE . 31.5 t70 -94.18 -37.55 11.51 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.676 1.226 . . . . 0.0 109.517 170.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.554 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 72.6 t60 -66.22 -33.14 75.09 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.271 -169.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -58.7 -36.92 75.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 22.8 p80 -80.15 -23.86 40.8 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.934 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.6 OUTLIER -88.07 -44.81 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 110.062 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.5 t -51.67 122.44 8.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.245 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 149.27 -28.58 1.22 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.748 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -86.87 86.3 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.552 -0.324 . . . . 0.0 110.38 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 46.9 m -99.05 -55.18 2.78 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.161 -179.647 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -82.08 125.4 30.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.713 0.292 . . . . 0.0 110.271 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 509' ' ' ARG . 64.1 mtt -132.36 15.46 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -178.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' A' ' 502' ' ' GLN . 6.7 pt-20 -70.42 -47.61 59.94 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.736 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.42 ' H ' ' HG3' ' A' ' 501' ' ' GLU . 2.2 pm0 -61.38 150.58 34.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.109 0.48 . . . . 0.0 110.361 173.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.6 m -129.39 136.72 50.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.668 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 43.0 t -61.07 123.43 17.62 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.62 -15.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.983 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -103.16 -25.19 13.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.622 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 33.7 m -122.58 -76.25 0.59 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 167.37 -153.5 23.04 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.915 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 500' ' ' MET . 44.6 ttt180 -52.0 -12.07 0.2 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.13 -3.17 3.44 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 122.111 -0.368 . . . . 0.0 111.878 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.636 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.08 141.35 6.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.7 tpt -147.11 -23.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.22 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.0 m -124.32 154.64 39.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.178 0.513 . . . . 0.0 111.187 -175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -114.61 163.02 16.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.504 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.506 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -75.03 124.78 27.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.53 0.681 . . . . 0.0 110.141 175.41 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.3 m -79.92 119.83 23.3 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 164.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.46 -55.84 0.75 Allowed Glycine 0 C--N 1.313 -0.736 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -168.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.638 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 16.7 p -142.13 142.4 32.75 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 168.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -105.48 30.55 5.6 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.186 0.517 . . . . 0.0 109.771 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.638 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 8.6 ptpp? -88.65 -29.77 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.256 -177.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.6 m -122.87 158.8 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.054 0.454 . . . . 0.0 110.159 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.59 148.62 52.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.434 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -125.61 -175.47 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.287 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.668 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 14.4 p -115.22 -18.88 11.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.232 0.539 . . . . 0.0 109.939 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 163.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.885 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 2.5 m -65.14 -24.85 67.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 0.0 110.982 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -61.53 -49.23 77.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.74 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 63.6 m -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.577 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.506 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 3.3 tp60 -58.01 -47.21 83.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.656 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.74 -37.14 65.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.252 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.74 ' HG3' ' HA ' ' A' ' 528' ' ' CYS . 0.0 OUTLIER -69.74 -36.87 76.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.05 -177.506 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 532' ' ' ASP . . . . . 0.6 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 34.1 t70 -71.79 -13.58 61.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.955 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.558 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 63.9 t-105 -58.48 -27.08 64.1 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.279 -173.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -59.62 -39.15 83.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.199 -0.313 . . . . 0.0 111.319 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -93.48 -38.75 11.25 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.561 1.172 . . . . 0.0 109.124 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 49.7 t60 -64.96 -32.72 74.58 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.283 -170.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -63.97 -31.1 72.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -83.23 -20.77 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.08 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 536' ' ' HIS . 1.0 OUTLIER -92.79 -46.33 14.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.308 178.743 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 8.8 t -52.0 123.45 10.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.972 0.891 . . . . 0.0 112.072 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 156.71 -82.06 0.16 Allowed Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.832 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.438 ' H ' ' HG2' ' A' ' 542' ' ' GLN . 6.5 pt20 -89.82 85.62 6.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.515 0.674 . . . . 0.0 111.63 -172.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.8 m -81.29 -60.36 2.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.868 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.543 178.339 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -106.8 160.41 15.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' MET . . . . . 0.825 ' HA ' ' HB2' ' A' ' 509' ' ' ARG . 23.2 ptp -158.19 20.76 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.072 175.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.36 -26.93 16.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.978 0.894 . . . . 0.0 109.784 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.56 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 16.1 pt20 -145.6 145.64 31.06 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.063 -172.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 62.2 m -112.14 129.45 56.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.069 0.461 . . . . 0.0 111.801 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 48.3 t -59.11 127.99 34.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -26.98 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.944 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -92.33 -34.65 14.12 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.457 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 12.0 m -121.79 -80.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.473 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.22 -160.86 26.6 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.787 -174.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.825 ' HB2' ' HA ' ' A' ' 500' ' ' MET . 7.3 ptp180 -51.9 -11.11 0.14 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -173.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.96 -1.63 4.29 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.617 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -52.1 122.5 8.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.719 0.771 . . . . 0.0 112.096 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -136.37 -11.33 1.89 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.153 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 t -124.5 156.41 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.558 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.96 156.78 34.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.821 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.515 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.2 t -71.47 125.36 26.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.354 0.597 . . . . 0.0 109.862 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.5 m -78.36 120.9 23.77 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 167.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.76 -51.16 0.87 Allowed Glycine 0 C--N 1.31 -0.89 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -170.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.407 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 14.0 p -138.58 143.78 39.52 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 171.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -106.9 25.36 11.41 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.076 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.407 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 0.1 OUTLIER -86.17 -28.47 23.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.399 -177.277 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.56 160.93 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.25 149.31 52.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.964 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.79 -177.02 3.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.728 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.1 p -122.56 -1.13 9.08 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.724 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 35.3 t -174.17 161.3 3.53 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.15 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.3 m -67.17 -24.24 65.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.025 0.441 . . . . 0.0 110.515 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.56 -48.68 80.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.48 -36.6 83.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.515 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.6 tp60 -58.77 -48.61 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.197 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -73.23 -31.33 64.07 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.179 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -70.18 -43.89 69.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.113 0.483 . . . . 0.0 110.812 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.47 -10.79 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.167 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.532 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 71.0 t-105 -57.97 -27.02 63.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.66 -175.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -56.82 -42.14 79.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 539' ' ' ILE . 23.5 t70 -92.96 -36.86 12.53 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 122.327 1.06 . . . . 0.0 109.47 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 64.9 t60 -65.86 -32.44 73.96 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.315 -169.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -60.81 -37.33 81.62 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.846 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.5 p80 -79.61 -19.96 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.198 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.669 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 0.8 OUTLIER -92.75 -44.93 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.193 178.848 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 540' ' ' CYS . . . . . 0.458 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.6 t -51.62 123.19 9.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.717 0.77 . . . . 0.0 111.675 -175.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 115.57 -0.17 21.82 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.843 -1.071 . . . . 0.0 113.101 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 539' ' ' ILE . 28.7 mm-40 -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.069 0.435 . . . . 0.0 111.278 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.6 m -113.56 124.7 52.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.706 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.116 177.342 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 502' ' ' GLN . 2.7 pt20 . . . . . 0 C--O 1.226 -0.138 0 CA-C-O 120.612 0.244 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 3.2 p -128.88 127.31 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.356 -176.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.668 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 48.2 t -62.3 125.53 24.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.17 -16.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.857 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -103.77 -23.57 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.253 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 53.2 m -122.47 -87.32 0.64 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.129 0.49 . . . . 0.0 112.125 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -177.4 -162.11 27.07 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.717 -174.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 35.4 ptt180 -53.46 -9.86 0.21 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -64.27 -3.78 3.15 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.668 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.17 139.96 4.26 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . 0.429 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 50.0 ttm -148.26 -24.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.488 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.8 m -123.79 142.76 50.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.25 0.548 . . . . 0.0 111.252 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -106.77 164.17 12.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.763 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.9 t -77.13 125.62 29.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.346 0.593 . . . . 0.0 110.305 174.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 2.9 t -77.94 122.09 25.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 167.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.06 -52.65 0.82 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.57 146.51 44.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -109.11 21.12 17.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.554 ' HG3' HG13 ' A' ' 521' ' ' VAL . 20.1 ptmt -87.37 -23.47 24.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.906 -174.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.554 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -125.3 157.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 118.0 0.364 . . . . 0.0 110.381 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 147.2 51.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.368 0.604 . . . . 0.0 111.265 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.408 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 83.2 m-85 -125.84 -172.75 2.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 21.3 p -110.97 -34.47 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.411 0.624 . . . . 0.0 109.48 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.7 p -146.43 172.57 13.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.264 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 24.4 m -68.15 -25.63 65.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -60.23 -49.52 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.617 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 95.2 m -66.22 -35.68 81.07 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.464 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.565 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.1 tp60 -59.14 -48.59 81.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.061 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.89 -36.46 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.897 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.619 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -68.53 -36.88 79.46 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.634 -178.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . 0.619 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 30.3 t70 -72.17 -13.3 61.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 55.8 t-105 -59.44 -26.51 65.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.13 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.413 ' HA ' HE21 ' A' ' 537' ' ' GLN . 60.0 mttp -62.84 -35.78 81.07 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.427 -0.171 . . . . 0.0 110.6 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 34.8 t70 -93.25 -39.33 11.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.587 1.185 . . . . 0.0 109.53 171.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 57.7 t60 -66.01 -32.12 73.41 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.312 -169.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.7 pt20 -61.5 -33.55 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.753 -176.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 16.6 p80 -80.38 -20.37 44.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.049 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -92.73 -47.42 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.871 178.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.511 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.2 t -56.04 120.53 7.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.556 0.693 . . . . 0.0 110.651 -177.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.591 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.856 -176.551 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 16.0 m -126.15 128.07 46.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.938 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.703 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 33.2 t -61.15 123.42 17.64 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.7 -19.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.207 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 10.5 t30 -95.57 -39.76 9.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.909 -178.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.1 p -121.29 -73.6 0.64 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 119.337 -0.945 . . . . 0.0 112.558 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.405 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -167.63 -168.73 30.2 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.839 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -52.57 -9.24 0.11 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.193 1.182 . . . . 0.0 114.193 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.4 -2.69 0.52 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.784 0.434 . . . . 0.0 111.975 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.703 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.05 153.19 0.33 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.8 ttt -168.11 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.675 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.0 m -123.11 140.35 53.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.638 0.256 . . . . 0.0 110.384 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -100.87 163.59 12.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.819 0.343 . . . . 0.0 110.721 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.555 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.33 124.9 27.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.497 172.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.6 t -78.24 119.8 22.12 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 166.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.8 -50.1 0.9 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.598 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 13.2 p -144.7 145.76 31.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -108.33 24.94 12.27 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.598 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 5.7 ptpp? -85.96 -18.72 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.68 157.3 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.47 154.09 42.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.395 0.616 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.429 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 87.4 m-85 -126.41 -171.93 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.563 -1.199 . . . . 0.0 108.453 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 27.7 p -108.52 -44.3 4.11 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.76 0.791 . . . . 0.0 109.213 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 12.8 t -143.38 172.43 12.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.613 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.7 m -62.46 -28.03 69.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.25 -51.24 70.4 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.48 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 57.1 m -64.47 -35.75 81.95 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.137 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.555 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.1 -48.59 81.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.378 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -73.07 -31.89 64.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.239 0.542 . . . . 0.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -70.15 -43.42 70.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.413 0.625 . . . . 0.0 110.93 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -77.77 -11.51 59.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.026 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.518 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 76.6 t-105 -59.39 -27.2 65.78 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.341 -173.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.464 ' HA ' HE21 ' A' ' 537' ' ' GLN . 75.9 mttt -69.41 -30.02 67.88 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.678 -174.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 539' ' ' ILE . 0.4 OUTLIER -93.95 -37.52 11.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.493 1.139 . . . . 0.0 109.676 170.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.2 t60 -65.71 -33.08 75.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.391 -173.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.464 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.2 pt20 -62.27 -30.08 70.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -83.81 -22.61 31.73 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.153 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.512 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -90.38 -46.24 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.512 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.5 t -53.77 120.94 6.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.342 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.59 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.491 -176.758 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.446 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.87 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 6.4 m -109.28 131.12 55.37 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.952 -176.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.574 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.7 t -61.11 120.92 11.23 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.45 -16.89 18.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.219 -174.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.552 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 18.5 t30 -98.59 -37.62 9.46 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 508' ' ' GLY . 17.4 p -123.53 -75.1 0.6 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 119.144 -1.022 . . . . 0.0 113.136 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -160.25 178.05 36.45 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.579 -174.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.87 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 3.0 ptm180 -54.59 -7.69 0.18 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -178.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -58.65 -0.93 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.248 0.619 . . . . 0.0 112.232 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.574 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.54 152.56 0.45 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.5 tpt -160.03 -28.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.348 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 144.4 49.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.712 0.291 . . . . 0.0 110.476 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -101.65 155.07 18.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 110.491 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.554 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.1 t -71.61 125.86 28.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.687 173.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 27.4 m -75.9 120.01 20.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 133.5 -46.87 1.03 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.363 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.23 165.51 23.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -129.99 26.97 5.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.968 173.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.529 ' HG3' HG13 ' A' ' 521' ' ' VAL . 18.7 ptmt -89.49 -26.5 20.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.529 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -130.12 159.0 42.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.693 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 156.91 39.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.427 0.632 . . . . 0.0 111.167 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 515' ' ' CYS . 82.1 m-85 -127.1 -171.86 2.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.749 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.9 p -112.29 -39.55 4.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.6 p -144.47 171.7 13.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.389 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 33.1 m -70.41 -23.94 62.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.979 0.419 . . . . 0.0 110.483 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.38 -50.11 74.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.552 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 66.8 m -65.62 -35.7 81.56 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.384 -0.526 . . . . 0.0 109.679 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.554 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.3 tp60 -57.48 -48.84 78.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.69 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -73.87 -30.68 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.314 0.578 . . . . 0.0 110.385 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.442 ' HD2' ' OD1' ' A' ' 506' ' ' ASN . 13.9 tmtt? -70.45 -42.8 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.416 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.66 -11.69 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.186 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 65.4 t-105 -59.75 -26.22 65.5 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.692 -172.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.425 ' HA ' HE21 ' A' ' 537' ' ' GLN . 95.3 mttt -68.51 -32.19 71.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.215 -0.303 . . . . 0.0 111.233 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 25.5 t70 -92.78 -38.62 11.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.541 1.162 . . . . 0.0 109.606 170.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 80.2 t60 -67.97 -32.34 72.68 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.48 -169.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.425 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.6 pt20 -59.23 -38.09 79.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.6 p80 -77.28 -18.93 57.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.627 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.5 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.84 -44.91 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.667 177.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.5 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.2 t -55.22 121.82 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.085 0.945 . . . . 0.0 111.336 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.77 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.488 -177.02 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.029 0.442 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 68.3 m -130.56 137.66 49.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.328 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.899 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.2 t -60.4 124.28 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.33 -16.49 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.684 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -97.37 -32.19 12.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 5.0 m -122.44 -83.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.712 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.472 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.69 -156.29 17.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.624 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -52.23 -8.14 0.07 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.82 -2.22 8.99 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.142 -0.349 . . . . 0.0 111.55 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.62 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -47.96 148.2 1.77 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.438 0.637 . . . . 0.0 112.706 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.7 ptp -163.29 -24.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.555 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 26.3 m -123.7 151.05 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.408 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.02 163.51 14.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.57 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.7 t -79.54 124.81 28.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.126 175.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.2 m -77.39 122.21 24.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.28 -35.88 2.35 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.28 159.34 42.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -120.27 33.21 5.68 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.55 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.661 ' HG3' HG13 ' A' ' 521' ' ' VAL . 16.6 ptmt -106.97 -26.59 11.12 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.661 HG13 ' HG3' ' A' ' 520' ' ' LYS . 30.5 m -118.91 157.5 20.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.314 -0.866 . . . . 0.0 110.858 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.71 145.07 51.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -127.26 -176.96 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.727 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.899 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 3.6 p -121.65 -4.55 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.303 0.573 . . . . 0.0 109.811 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 46.9 t -164.97 160.53 19.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 27.3 m -69.36 -25.8 64.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.05 0.453 . . . . 0.0 110.011 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.91 -49.47 76.06 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.639 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -61.93 -35.6 78.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.063 0.459 . . . . 0.0 109.85 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.57 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.2 OUTLIER -59.42 -48.83 80.13 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.351 177.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -72.67 -30.79 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.699 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.495 ' HD3' ' C ' ' A' ' 531' ' ' LYS . 1.2 tmtp? -69.93 -44.31 69.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -74.7 -10.75 59.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.123 0.487 . . . . 0.0 111.02 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -59.34 -25.21 64.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.497 -173.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.423 ' HA ' HE21 ' A' ' 537' ' ' GLN . 29.2 mtmm -65.92 -40.3 91.33 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 122.249 -0.282 . . . . 0.0 110.707 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.494 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 3.8 t70 -92.0 -36.91 13.13 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 122.716 1.246 . . . . 0.0 109.636 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.4 ' CE1' HG21 ' A' ' 521' ' ' VAL . 76.3 t60 -68.1 -32.07 72.12 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.577 -170.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.423 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.5 pt20 -58.66 -38.68 78.68 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.678 -0.409 . . . . 0.0 112.085 -175.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.3 p80 -76.61 -18.13 58.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.738 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' ' 538' ' ' HIS . 0.5 OUTLIER -93.39 -44.69 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.419 177.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.461 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.5 t -53.21 122.19 9.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.759 0.79 . . . . 0.0 111.576 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 CA-C-N 114.198 -1.364 . . . . 0.0 111.307 -177.856 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.797 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 18.2 m -128.6 132.95 48.2 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.825 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.1 t -59.9 123.9 18.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.21 -16.63 14.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.76 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.97 -30.61 10.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.549 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.23 -82.49 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.53 -174.53 37.97 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.006 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.797 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 17.2 ptp180 -55.22 -8.44 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.22 -1.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -46.67 132.49 11.0 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . 0.449 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 21.0 mmt -130.44 -27.1 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.875 -178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 24.8 t -123.9 156.3 36.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.2 0.524 . . . . 0.0 111.117 -170.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.22 163.94 15.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.52 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.58 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -78.41 127.58 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.384 0.611 . . . . 0.0 110.195 176.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 6.0 t -79.67 121.64 25.56 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 165.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.12 -52.52 0.83 Allowed Glycine 0 CA--C 1.501 -0.796 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -170.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 14.4 p -140.5 143.57 35.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 169.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -105.99 29.06 7.02 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.75 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.566 ' HG3' HG13 ' A' ' 521' ' ' VAL . 18.4 ptmt -95.28 -19.83 19.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.6 m -120.91 159.52 22.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.891 -0.505 . . . . 0.0 110.657 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.74 143.52 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 92.6 m-85 -124.06 178.59 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.577 -176.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.825 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.9 p -118.27 -18.75 9.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.09 0.471 . . . . 0.0 110.175 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.9 m -148.85 161.3 42.11 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.8 m -67.19 -26.65 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.27 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.938 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.09 -35.78 81.88 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.58 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.8 tp60 -59.33 -48.48 81.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -73.62 -31.67 63.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.272 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 531' ' ' LYS . 14.4 tmtt? -71.85 -42.85 66.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.643 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.91 -14.49 62.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.425 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.59 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 65.8 t-105 -57.64 -26.64 61.9 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.65 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -62.3 -36.31 81.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 33.8 t70 -93.68 -39.24 10.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.701 1.239 . . . . 0.0 109.734 169.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.59 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 67.3 t60 -64.98 -32.29 73.94 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.509 -168.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -59.91 -35.66 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.651 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.504 ' CE1' HG22 ' A' ' 539' ' ' ILE . 15.8 p80 -78.47 -22.29 47.75 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.952 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.504 HG22 ' CE1' ' A' ' 538' ' ' HIS . 0.5 OUTLIER -90.74 -46.5 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.849 179.023 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.477 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.9 t -53.44 121.27 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.754 0.788 . . . . 0.0 111.394 -175.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.597 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.338 -175.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.415 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.709 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 34.8 m -129.29 133.76 47.62 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.856 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.29 124.17 19.47 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.54 -18.07 19.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.421 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.28 -33.05 10.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.506 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -121.56 -83.85 0.66 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.085 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.44 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -165.87 -176.19 37.01 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.481 -174.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 39.5 mtp180 -54.21 -10.07 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.57 -0.91 0.47 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.609 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -44.96 113.83 0.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . 0.455 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 53.8 ttp -121.99 -20.09 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.047 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 16.7 m -123.12 146.41 47.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.436 0.636 . . . . 0.0 111.752 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -112.53 165.8 11.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.388 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 523' ' ' TYR . 0.9 OUTLIER -78.02 124.99 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.418 0.628 . . . . 0.0 110.248 173.037 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 14.6 m -78.68 120.54 23.5 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 167.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.35 -49.1 0.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.391 -0.909 . . . . 0.0 111.465 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.6 p -141.66 150.22 41.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -119.71 31.37 6.59 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.055 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.513 ' HG3' HG13 ' A' ' 521' ' ' VAL . 17.6 ptpt -87.28 -30.11 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.513 HG13 ' HG3' ' A' ' 520' ' ' LYS . 33.4 m -121.87 158.7 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.3 149.15 52.12 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.505 0.669 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.412 ' CE1' ' HA ' ' A' ' 529' ' ' GLN . 89.3 m-85 -123.68 -172.13 2.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.826 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.856 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 12.0 p -121.18 -17.41 7.73 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.056 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 72.1 m -154.13 163.92 39.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 39.6 m -67.8 -24.93 65.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.705 0.288 . . . . 0.0 110.847 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -61.47 -49.46 76.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.266 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.57 78.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.215 0.531 . . . . 0.0 109.899 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.412 ' HA ' ' CE1' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -63.85 -49.07 74.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.698 -179.785 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.81 -29.73 64.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.064 0.459 . . . . 0.0 111.039 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -71.15 -42.17 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.24 0.543 . . . . 0.0 110.044 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.32 -13.14 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.633 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 68.8 t-105 -59.79 -26.44 65.73 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.609 -172.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.469 ' HA ' HE21 ' A' ' 537' ' ' GLN . 99.1 mttt -63.61 -35.35 80.21 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.103 -0.373 . . . . 0.0 111.096 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.462 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 26.1 t70 -93.0 -37.0 12.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.433 1.111 . . . . 0.0 109.603 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.3 t60 -67.87 -32.64 73.29 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.395 -170.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.3 pt20 -59.8 -35.33 74.46 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 17.4 p80 -81.47 -20.74 39.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.436 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.9 OUTLIER -92.02 -44.05 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.165 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.459 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.9 t -54.05 122.07 9.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.586 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.979 -179.356 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.449 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 8.2 pt20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.2 m -120.26 125.94 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.752 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 37.9 t -61.38 124.5 20.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.684 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.87 -20.31 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.404 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -93.46 -42.21 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.755 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 p -120.7 -70.84 0.76 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 119.126 -1.03 . . . . 0.0 112.023 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.439 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -178.46 -156.17 16.23 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.444 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -7.87 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.83 -4.62 4.6 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.005 0.366 . . . . 0.0 111.847 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.752 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -51.06 148.38 4.44 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 56.8 ttp -166.9 -27.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.179 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.1 m -122.56 155.57 36.0 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.558 0.218 . . . . 0.0 110.607 -173.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -120.97 155.56 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.566 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.551 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -70.77 127.54 33.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.546 0.688 . . . . 0.0 110.362 177.107 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 m -77.5 120.42 22.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 165.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.42 -53.53 0.8 Allowed Glycine 0 C--N 1.31 -0.899 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.529 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 12.7 p -138.84 144.32 39.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -114.64 37.92 3.27 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.36 0.6 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.543 ' HG3' HG13 ' A' ' 521' ' ' VAL . 6.4 ptpp? -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.346 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.543 HG13 ' HG3' ' A' ' 520' ' ' LYS . 30.9 m -127.76 160.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -177.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.6 153.33 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.459 0.647 . . . . 0.0 110.688 177.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.429 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 92.6 m-85 -124.89 -171.6 2.39 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.372 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.597 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.0 p -107.44 -44.42 4.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.854 0.835 . . . . 0.0 109.224 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 47.9 t -145.89 168.14 21.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.506 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 12.9 m -60.93 -24.33 65.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.282 . . . . 0.0 111.402 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.57 -50.54 73.49 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.258 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.0 -35.32 80.26 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.406 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.551 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.9 tp60 -58.99 -48.47 81.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.185 0.517 . . . . 0.0 110.002 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -73.47 -31.17 63.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.151 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -73.69 -42.9 60.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.02 -14.79 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.59 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -58.79 -27.27 64.86 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.637 -176.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.4 ' HA ' HE21 ' A' ' 537' ' ' GLN . 56.8 mttp -63.85 -33.24 75.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.949 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.464 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 14.9 t70 -94.0 -40.59 10.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.622 1.201 . . . . 0.0 109.438 170.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.59 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.8 t60 -64.53 -32.02 73.48 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.138 -168.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.4 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.4 pt20 -60.95 -33.24 72.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.796 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 13.5 p80 -80.83 -21.0 41.18 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.738 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.498 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.95 -47.34 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.891 178.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.498 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.8 t -54.71 120.67 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.564 0.697 . . . . 0.0 110.689 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.582 -175.878 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.648 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 41.7 m -117.72 131.3 56.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.677 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 45.5 t -60.56 123.38 17.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 14.4 p -65.32 -20.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.837 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 12.5 t30 -96.58 -34.85 11.28 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.736 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.5 p -127.12 -75.08 0.58 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.95 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.437 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -163.1 -175.85 34.54 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 119.542 -1.313 . . . . 0.0 114.288 -175.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.648 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 96.3 mtt180 -53.8 -9.97 0.27 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -61.87 0.62 0.35 Allowed 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 122.669 0.388 . . . . 0.0 111.886 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.677 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.49 163.79 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.5 ttt -178.44 -28.21 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.064 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 10.7 t -119.87 155.09 33.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.011 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -124.87 162.77 23.64 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -172.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 126.05 29.31 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.442 0.639 . . . . 0.0 109.996 174.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.2 m -79.58 121.0 24.7 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 166.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.9 -50.75 0.88 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.568 ' HB2' ' NZ ' ' A' ' 520' ' ' LYS . 10.1 p -142.5 144.72 33.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 170.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -114.77 37.9 3.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.605 0.716 . . . . 0.0 109.912 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.568 ' NZ ' ' HB2' ' A' ' 518' ' ' CYS . 4.7 ptpp? -94.3 -21.36 19.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.486 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.554 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.5 m -120.79 160.01 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 110.666 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.78 145.8 51.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.533 0.682 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -126.2 -169.14 1.96 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.566 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 31.9 p -112.63 -41.62 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.395 0.616 . . . . 0.0 109.477 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.0 p -139.14 172.11 13.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.897 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 26.6 m -67.76 -25.96 65.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 0.0 110.345 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -60.72 -50.47 73.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.374 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 58.4 m -65.45 -35.06 79.79 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.165 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -48.39 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.29 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -73.34 -31.16 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -70.55 -42.92 70.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.06 -12.98 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.912 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 73.3 t-105 -59.37 -26.89 65.47 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.79 -176.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.413 ' HA ' HE21 ' A' ' 537' ' ' GLN . 28.2 mtpp -60.53 -36.53 78.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.041 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 539' ' ' ILE . 28.7 t70 -93.41 -38.77 11.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.529 1.157 . . . . 0.0 109.558 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -66.5 -31.71 72.61 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.176 -168.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.5 pt20 -61.46 -36.21 79.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.716 -0.393 . . . . 0.0 112.006 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.6 p80 -78.94 -18.67 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.242 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.6 OUTLIER -93.67 -45.6 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.95 178.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.485 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.93 120.38 6.28 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.816 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.523 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.66 -175.181 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 502' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.7 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 3.7 p -128.79 134.49 48.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.782 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.3 t -59.73 124.19 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.12 -15.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.834 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -101.14 -28.99 12.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.5 m -128.99 -86.06 0.55 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -167.62 -171.15 33.29 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.44 -174.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.7 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 98.0 mtt180 -54.25 -10.36 0.37 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.56 -0.83 1.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.885 0.374 . . . . 0.0 111.965 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -44.88 119.89 2.13 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.467 178.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 25.2 ttt -127.03 -21.46 3.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.753 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 40.8 m -123.01 144.93 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.384 0.611 . . . . 0.0 111.157 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.65 162.89 14.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.392 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.46 121.64 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.405 0.621 . . . . 0.0 109.658 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.4 m -78.78 118.71 21.1 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 165.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.92 -56.85 0.73 Allowed Glycine 0 C--N 1.311 -0.851 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -167.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.5 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 11.9 p -141.48 145.28 35.02 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 170.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -109.9 28.51 8.52 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.56 ' HG3' HG13 ' A' ' 521' ' ' VAL . 13.5 ptmm? -86.36 -20.1 28.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.793 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.56 HG13 ' HG3' ' A' ' 520' ' ' LYS . 36.0 m -132.97 160.11 42.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.949 0.404 . . . . 0.0 110.163 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.33 153.34 47.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -126.82 179.88 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.305 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.782 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.1 p -120.76 -8.5 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.167 -176.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 82.8 p -152.96 164.16 38.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.2 m -67.81 -28.14 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.35 0.595 . . . . 0.0 109.468 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.01 -47.94 82.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.088 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.529 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 35.7 m -59.97 -36.6 77.5 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.46 -47.97 83.81 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.776 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -72.23 -37.5 69.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.749 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -69.28 -37.33 77.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.596 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . 0.749 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 26.2 t70 -72.88 -14.16 61.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.676 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -57.79 -30.8 65.97 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.644 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.442 ' HA ' HE21 ' A' ' 537' ' ' GLN . 54.3 mtmt -58.26 -42.29 86.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.311 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 539' ' ' ILE . 11.3 m-20 -93.08 -36.12 12.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.107 0.956 . . . . 0.0 110.243 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 539' ' ' ILE . 63.3 t60 -67.42 -34.7 77.78 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.509 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.442 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.6 pt20 -58.94 -35.24 72.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.896 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 16.4 p80 -82.03 -22.73 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.076 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 535' ' ' ASP . 1.0 OUTLIER -89.05 -45.42 15.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.251 178.361 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.411 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.0 t -52.41 121.79 7.62 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.726 -178.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.884 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.723 -177.177 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.504 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 7.4 pt20 . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.8 p -118.93 125.32 49.18 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.677 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.1 t -60.63 125.84 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.29 -18.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.983 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -101.35 -24.95 14.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.055 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 69.2 m -120.53 -82.29 0.65 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -171.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 165.49 -149.7 16.41 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -176.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -53.38 -10.4 0.23 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.36 3.94 0.83 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 123.794 0.838 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.677 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -71.74 170.69 13.03 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.097 -0.377 . . . . 0.0 110.929 -166.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.1 tpp -173.45 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.428 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 39.9 m -119.83 145.54 46.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -113.75 164.03 14.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.093 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.478 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -76.38 125.78 29.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.937 174.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 3.7 t -79.4 120.58 24.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.33 -54.96 0.77 Allowed Glycine 0 C--N 1.31 -0.867 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 11.2 p -143.39 144.91 32.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -114.34 33.0 5.55 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.516 ' HG3' HG13 ' A' ' 521' ' ' VAL . 9.5 ptmm? -87.63 -16.59 34.01 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.272 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 520' ' ' LYS . 31.2 m -129.77 161.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.09 146.56 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 0.0 111.232 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.421 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 28.5 m-85 -125.87 -170.83 2.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.638 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 21.8 p -113.97 -37.8 4.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.318 0.58 . . . . 0.0 109.446 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.2 p -142.7 165.01 28.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.25 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.9 m -64.73 -22.8 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -59.77 -49.68 76.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.796 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.65 -35.46 80.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.852 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.478 ' OE1' ' HB2' ' A' ' 515' ' ' CYS . 37.1 tp60 -59.03 -48.5 81.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.063 0.459 . . . . 0.0 110.022 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -73.06 -30.24 63.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.24 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.27 -42.38 88.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.558 . . . . 0.0 110.5 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.71 -11.87 59.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.944 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.519 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 70.9 t-105 -60.37 -29.48 68.95 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -170.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.459 ' HA ' HE21 ' A' ' 537' ' ' GLN . 96.0 mttt -69.33 -28.28 66.1 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.96 -175.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.515 ' O ' HG23 ' A' ' 539' ' ' ILE . 0.8 OUTLIER -93.61 -38.4 11.37 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 122.479 1.133 . . . . 0.0 109.439 171.162 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.2 t60 -67.07 -33.17 74.91 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.599 -173.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 534' ' ' LYS . 9.8 pt20 -61.15 -33.44 73.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -175.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.1 p80 -81.62 -21.4 38.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.14 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -91.72 -45.21 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.826 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.495 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.3 t -53.04 121.45 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.032 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.68 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.258 -176.865 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.497 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.4 p -120.87 128.61 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.161 0.505 . . . . 0.0 112.158 -174.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.732 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 41.9 t -64.59 129.21 38.99 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 175.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -21.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.764 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -99.25 -29.22 12.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.73 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 62.8 m -121.07 -49.23 2.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -167.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . 128.14 -150.73 18.53 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.586 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -53.09 -12.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.23 -4.34 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.732 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -50.73 150.79 2.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 47.0 ttm -153.92 -27.86 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.335 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.6 t -122.87 155.53 36.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.521 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -117.16 163.48 16.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.49 124.27 27.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.742 174.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 60.5 m -77.67 120.16 22.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.57 -59.8 0.68 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -168.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.7 p -134.72 144.15 47.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.57 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -112.16 32.57 5.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.06 0.457 . . . . 0.0 110.077 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -86.82 -28.87 22.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.14 157.81 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.45 152.09 47.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.34 0.59 . . . . 0.0 110.757 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -125.67 -172.56 2.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.956 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 25.0 p -108.87 -37.46 5.85 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 6.0 p -145.4 171.78 14.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.146 -177.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -62.26 -29.95 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -59.92 -49.21 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.133 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 67.6 m -65.78 -35.05 79.6 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.854 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -60.65 -49.33 77.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 109.892 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . 0.415 ' HD3' ' HA ' ' A' ' 530' ' ' ARG . 22.1 mmt180 -72.54 -32.47 66.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.092 -177.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' A' ' 531' ' ' LYS . 0.0 OUTLIER -69.7 -41.74 74.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.303 178.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.91 -13.28 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.603 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 67.7 t-105 -58.27 -30.81 66.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.093 -173.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.412 ' HA ' HE21 ' A' ' 537' ' ' GLN . 51.6 mtmt -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 119.721 -0.18 . . . . 0.0 111.349 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 539' ' ' ILE . 29.1 t70 -93.0 -37.84 11.97 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.342 1.068 . . . . 0.0 109.663 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -67.23 -32.63 73.79 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.411 -170.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.4 pt20 -59.84 -38.16 81.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -79.67 -21.7 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.984 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.04 -44.92 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.342 178.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.445 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.4 t -53.07 121.77 8.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.395 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.843 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.283 -175.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.591 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 75.4 m -125.55 137.92 53.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.132 0.491 . . . . 0.0 112.08 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.833 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.6 t -60.07 127.72 33.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.98 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.06 -11.92 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -104.5 -31.42 9.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.69 -86.35 0.65 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.443 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -176.6 -158.95 21.22 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.479 -0.867 . . . . 0.0 113.221 -174.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 509' ' ' ARG . 14.9 mtp180 -51.66 -11.61 0.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -173.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 512' ' ' MET . 20.7 tt0 -67.21 -1.87 5.04 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.665 0.269 . . . . 0.0 111.372 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.673 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -49.62 115.78 1.5 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.202 0.525 . . . . 0.0 112.293 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . 0.621 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 25.6 mmt -123.27 -22.68 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.695 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.9 m -123.93 152.79 42.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 111.451 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -111.65 164.19 13.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.17 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.4 t -76.62 126.94 31.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.398 0.618 . . . . 0.0 109.901 173.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.8 m -77.56 120.51 22.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.51 -52.15 0.84 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.158 -171.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.4 p -136.77 146.05 45.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -109.8 25.64 11.56 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.193 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 520' ' ' LYS . 14.4 ptpt -87.3 -27.11 23.07 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.978 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 30.8 m -127.54 156.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.028 -0.42 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.69 153.11 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 111.396 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.431 ' HE1' ' HB2' ' A' ' 515' ' ' CYS . 89.8 m-85 -125.45 -178.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.459 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.833 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 8.9 p -117.63 -25.53 6.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.089 0.471 . . . . 0.0 110.032 -177.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.2 m -143.87 162.34 36.36 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 28.7 m -66.48 -27.12 67.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.108 0.48 . . . . 0.0 110.146 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -60.08 -48.17 82.85 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.071 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.69 0.281 . . . . 0.0 110.308 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.565 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.3 tp60 -59.63 -48.93 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.345 0.593 . . . . 0.0 110.05 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -73.87 -35.16 64.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.496 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -65.47 -43.61 89.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.126 0.489 . . . . 0.0 110.957 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.67 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.448 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -59.95 -26.07 65.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.162 -174.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.444 ' HA ' HE21 ' A' ' 537' ' ' GLN . 55.3 mttp -68.7 -32.81 72.88 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.62 -175.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 539' ' ' ILE . 1.8 t0 -93.51 -37.31 11.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.484 1.135 . . . . 0.0 109.435 170.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.4 t60 -67.69 -33.09 74.22 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.922 -170.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.4 pt20 -58.4 -38.01 76.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.9 p80 -79.04 -22.47 45.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.893 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.526 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -87.77 -45.88 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.316 -0.553 . . . . 0.0 109.875 178.658 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.526 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.5 t -55.28 121.3 8.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.598 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.81 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.528 -176.503 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 N--CA 1.446 -0.674 0 CA-C-O 120.522 0.201 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 8.4 p -128.62 128.67 44.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.689 0.28 . . . . 0.0 110.254 177.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.7 t -60.63 123.09 16.4 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.06 -14.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.938 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -99.91 -34.43 10.13 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.095 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -122.03 -83.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -173.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.456 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.41 -170.39 33.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.873 -175.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 4.1 ppt_? -53.48 -7.81 0.12 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.07 -2.95 1.45 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.509 0.323 . . . . 0.0 111.665 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.625 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -50.66 154.34 1.4 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.6 ptp -165.65 -20.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.032 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.2 m -124.04 154.57 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.909 -0.495 . . . . 0.0 110.856 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -115.32 154.81 28.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.758 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.545 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.37 125.8 29.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.552 177.099 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.8 m -76.93 121.09 22.95 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 134.32 -32.03 2.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.9 p -145.13 177.17 8.98 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 170.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -129.51 28.83 5.14 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 164.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.646 ' HG2' HG13 ' A' ' 521' ' ' VAL . 3.0 ttmm -90.51 -30.08 17.5 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.942 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.646 HG13 ' HG2' ' A' ' 520' ' ' LYS . 34.1 m -118.59 160.13 18.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 121.215 0.531 . . . . 0.0 111.487 -175.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.1 143.02 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 -178.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.404 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 98.0 m-85 -125.51 178.88 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.773 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 4.9 p -120.46 -13.26 8.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 109.896 -176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 19.8 m -154.77 163.67 39.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.8 m -71.29 -28.14 63.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.429 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.8 -47.21 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.797 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.48 -36.39 83.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 110.268 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.545 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.8 OUTLIER -56.09 -48.78 75.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.124 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -73.38 -29.49 62.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.484 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.5 -43.25 60.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 110.518 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -74.88 -12.61 60.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.938 0.399 . . . . 0.0 111.074 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -58.12 -30.11 66.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.723 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.427 ' HA ' HE21 ' A' ' 537' ' ' GLN . 26.9 mtpp -59.18 -38.52 80.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.354 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 24.9 t70 -92.56 -41.15 10.39 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.488 1.137 . . . . 0.0 109.845 173.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -65.53 -31.84 73.11 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.033 -169.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.427 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.1 pt20 -60.19 -34.93 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 112.059 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.3 p80 -79.16 -20.37 48.65 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.861 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.521 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -93.36 -45.61 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.649 178.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.521 ' N ' HG13 ' A' ' 539' ' ' ILE . 13.2 t -55.05 121.57 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.385 0.612 . . . . 0.0 111.293 -177.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.566 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.753 178.339 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.435 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 7.3 pt20 . . . . . 0 N--CA 1.445 -0.697 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 5.5 p -121.2 129.2 53.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.888 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.725 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 43.1 t -59.14 123.15 15.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.35 -18.11 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.522 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -97.98 -30.8 12.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 8.7 m -122.44 -82.94 0.65 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.447 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -179.99 -162.46 28.91 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.048 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 32.6 ptt180 -54.69 -8.24 0.23 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -174.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 512' ' ' MET . 10.4 tp10 -67.4 -2.01 5.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.683 0.278 . . . . 0.0 111.078 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.725 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.3 137.99 10.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.293 0.568 . . . . 0.0 112.333 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 23.6 mmt -143.49 -28.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.12 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.0 m -123.41 155.28 37.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -171.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.09 164.62 16.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.92 123.68 28.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.24 175.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.3 m -80.07 120.41 24.19 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 167.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.85 -57.78 0.72 Allowed Glycine 0 C--N 1.312 -0.786 0 C-N-CA 120.314 -0.946 . . . . 0.0 110.813 -168.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.656 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 9.3 p -135.53 144.33 46.22 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -113.75 35.05 4.24 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.656 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 18.0 ptpt -86.88 -25.77 24.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.429 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 520' ' ' LYS . 20.1 m -128.05 163.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 0.0 111.319 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.51 147.96 52.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.817 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -123.56 -174.63 3.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.567 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 7.6 p -124.8 4.23 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.167 0.508 . . . . 0.0 110.064 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 79.4 p -170.25 162.01 8.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 16.2 m -69.31 -24.46 63.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 109.925 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -63.35 -48.72 76.79 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.79 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 55.6 m -58.67 -35.89 73.29 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.939 0.399 . . . . 0.0 109.95 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -48.45 78.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.649 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -71.59 -30.48 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.081 0.467 . . . . 0.0 111.279 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -71.73 -42.55 67.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.55 -13.47 60.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.789 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.571 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 74.1 t-105 -58.5 -26.11 63.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.407 -173.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.457 ' HA ' HE21 ' A' ' 537' ' ' GLN . 48.8 mttp -68.88 -30.94 69.55 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.119 -0.363 . . . . 0.0 111.266 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 4.7 t0 -94.47 -37.9 11.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.798 1.285 . . . . 0.0 109.043 170.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.64 -33.89 76.66 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.472 -170.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.457 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.3 pt20 -58.68 -36.87 74.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.0 p80 -82.69 -20.01 36.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.233 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 536' ' ' HIS . 1.0 OUTLIER -91.8 -42.16 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.138 0.495 . . . . 0.0 110.59 178.037 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.424 ' N ' HG13 ' A' ' 539' ' ' ILE . 18.7 t -51.48 121.49 6.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.117 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.685 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.05 -175.634 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.413 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 3.2 pt20 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.732 0.301 . . . . 0.0 111.527 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.1 p -129.12 130.9 47.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.531 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.18 125.51 23.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.27 -17.84 20.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.619 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -98.73 -28.48 13.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.365 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 13.0 m -122.78 -82.92 0.65 Allowed 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.486 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 176.05 -156.46 21.49 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.576 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -53.05 -8.7 0.11 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.7 -4.07 8.06 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 122.364 -0.21 . . . . 0.0 111.485 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.712 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -47.67 149.58 1.2 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.8 ttm -162.18 -28.55 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.471 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 37.8 m -118.63 138.31 52.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.585 0.707 . . . . 0.0 110.803 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 514' ' ' GLU . 8.0 pt-20 -108.31 162.07 14.43 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.108 -175.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.459 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -73.35 127.59 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.441 0.639 . . . . 0.0 110.55 174.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 120.5 23.01 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 162.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.45 -57.61 0.72 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -139.94 145.48 37.98 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -113.06 32.46 5.71 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.618 ' HG3' HG13 ' A' ' 521' ' ' VAL . 12.9 ptmm? -87.72 -25.6 23.36 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.472 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.618 HG13 ' HG3' ' A' ' 520' ' ' LYS . 14.0 m -122.31 159.61 25.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.008 0.432 . . . . 0.0 110.943 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.97 144.87 51.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.332 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 34.0 m-85 -125.53 -174.98 3.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.148 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.724 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.2 p -121.89 -9.13 8.83 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.265 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 48.2 t -161.57 162.36 30.13 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.048 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 57.7 m -67.41 -25.16 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.097 0.475 . . . . 0.0 110.193 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.08 -48.94 79.37 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.738 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.7 m -64.4 -35.32 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.352 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.459 ' OE1' ' HB2' ' A' ' 515' ' ' CYS . 36.6 tp60 -60.63 -48.16 83.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.745 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 41.1 ttp-105 -72.12 -31.96 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.465 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -70.18 -42.28 72.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.422 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.4 -11.52 60.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.117 0.484 . . . . 0.0 111.161 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.489 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.2 t-105 -60.04 -26.53 66.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.848 -171.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.447 ' HA ' HE21 ' A' ' 537' ' ' GLN . 54.6 mtpt -68.4 -31.7 71.23 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 122.131 -0.356 . . . . 0.0 110.738 -176.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.513 ' O ' HG23 ' A' ' 539' ' ' ILE . 37.0 m-20 -94.39 -35.2 12.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.803 0.811 . . . . 0.0 110.09 171.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 55.1 t60 -67.41 -34.4 77.17 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.684 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.447 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.4 pt20 -60.23 -34.75 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.997 -175.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.7 p80 -81.54 -22.11 38.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.334 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.24 -44.79 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.628 178.648 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.442 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.0 t -53.14 122.23 9.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.362 -177.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.395 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.499 -178.214 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.423 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 9.1 pt20 . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 7.9 p -127.85 126.3 41.36 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.692 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 41.9 t -60.27 122.75 15.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.42 -16.04 15.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.741 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -100.85 -26.75 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.5 m -122.94 -80.89 0.63 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 173.31 -153.86 18.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.533 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -51.25 -13.35 0.18 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.59 -1.69 9.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.739 0.305 . . . . 0.0 111.802 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.692 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.86 139.56 9.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 112.586 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . 0.474 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 64.7 mtt -149.38 -27.66 0.27 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.959 -177.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.9 t -122.28 155.04 36.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.118 0.485 . . . . 0.0 110.226 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -123.91 163.87 20.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -172.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.618 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.63 126.69 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.567 0.699 . . . . 0.0 110.579 173.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 1.8 t -77.58 120.02 21.95 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.782 164.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.18 -51.89 0.84 Allowed Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.562 ' HB2' ' NZ ' ' A' ' 520' ' ' LYS . 9.1 p -145.36 145.61 31.25 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.892 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -113.65 29.98 7.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.281 0.563 . . . . 0.0 109.586 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.562 ' NZ ' ' HB2' ' A' ' 518' ' ' CYS . 4.8 ptpp? -87.02 -21.09 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.738 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.517 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.2 m -125.83 158.35 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.15 146.51 52.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.541 0.686 . . . . 0.0 111.568 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.6 -173.69 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.11 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.4 p -120.86 -14.36 8.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.183 0.516 . . . . 0.0 109.895 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 40.2 t -157.12 160.77 39.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 56.9 m -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.063 0.459 . . . . 0.0 110.219 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.88 -49.14 78.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.615 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -64.4 -35.12 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.165 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.618 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.57 -48.95 79.21 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.035 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -73.15 -30.98 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.32 -41.78 89.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.114 0.483 . . . . 0.0 109.827 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -78.72 -11.7 59.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.427 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.438 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -58.59 -29.27 66.31 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -172.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.62 -42.83 79.46 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 122.346 0.258 . . . . 0.0 110.896 177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 539' ' ' ILE . 24.0 t70 -92.25 -36.56 13.17 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.204 1.002 . . . . 0.0 109.812 176.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.9 t60 -68.01 -33.02 73.82 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.205 -170.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -58.44 -38.54 77.7 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.794 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.4 p80 -80.03 -22.7 42.1 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.398 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -88.32 -43.82 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.236 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.505 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.96 120.83 6.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.355 -177.179 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 8.6 pt20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 55.5 p -129.08 123.77 33.1 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.368 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.724 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 49.3 t -60.55 122.59 15.05 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.3 -15.86 18.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.745 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -97.04 -33.56 11.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.242 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.96 -81.92 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.799 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.436 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -174.2 -166.76 32.77 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.04 -1.076 . . . . 0.0 113.552 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.579 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.8 mpt_? -56.0 -8.15 0.41 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.26 0.58 3.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.735 0.302 . . . . 0.0 111.438 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.724 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.87 155.19 0.28 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.727 0.775 . . . . 0.0 113.075 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.9 ttt -159.05 -24.54 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.026 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.5 t -121.82 154.98 36.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.29 0.567 . . . . 0.0 110.943 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -123.09 158.43 30.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.695 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.517 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.3 OUTLIER -75.92 128.15 34.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.335 0.588 . . . . 0.0 110.861 178.416 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 m -78.39 120.32 22.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 164.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.64 -52.5 0.83 Allowed Glycine 0 CA--C 1.5 -0.899 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.1 p -144.55 144.03 31.11 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -109.67 30.83 6.3 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.549 ' HG3' HG13 ' A' ' 521' ' ' VAL . 11.1 ptmm? -86.43 -24.4 25.7 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.114 -176.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.549 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.9 m -124.44 160.32 29.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.83 0.348 . . . . 0.0 110.122 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.44 148.24 51.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.841 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -126.7 -173.8 2.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.776 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.0 p -126.66 0.84 6.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.543 . . . . 0.0 110.135 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 37.3 t -167.25 161.08 14.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 17.8 m -64.92 -28.69 69.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.462 . . . . 0.0 110.136 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -61.13 -48.51 81.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.747 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.517 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.08 -48.63 79.58 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.14 177.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -73.25 -34.01 65.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.336 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -62.3 -42.34 99.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.873 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.32 -12.2 59.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.39 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -60.32 -26.53 66.62 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.43 ' HA ' HE21 ' A' ' 537' ' ' GLN . 61.8 mttp -68.49 -31.81 71.34 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.038 -0.414 . . . . 0.0 110.539 -176.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 539' ' ' ILE . 39.0 t70 -93.11 -38.1 11.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.592 1.186 . . . . 0.0 109.718 170.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.55 -33.81 76.5 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.372 -1.285 . . . . 0.0 111.012 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.5 pt20 -59.09 -34.36 71.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.0 p80 -83.55 -25.43 30.98 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.31 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.8 OUTLIER -86.28 -44.17 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.084 0.469 . . . . 0.0 110.472 179.463 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.44 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.9 t -52.14 122.87 9.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.865 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.782 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.245 179.11 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.451 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 6.8 pt20 . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.688 0.28 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.4 m -116.81 123.01 46.05 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.857 0.36 . . . . 0.0 111.512 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.736 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.2 t -59.85 124.98 21.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 175.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.53 -12.34 10.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -104.12 -24.13 13.21 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.126 175.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 39.6 m -121.82 -84.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.107 -0.37 . . . . 0.0 111.93 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 172.62 -154.24 20.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.017 -176.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -52.51 -9.48 0.11 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -175.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.07 -4.17 19.86 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.736 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -52.93 146.56 10.67 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.3 ttt -145.52 -28.6 0.44 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.46 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 23.0 t -122.3 155.87 35.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.065 0.46 . . . . 0.0 110.633 -167.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -118.01 163.4 16.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.569 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -80.67 127.54 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.595 176.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 4.3 m -79.72 120.72 24.41 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 164.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 132.21 -49.24 0.93 Allowed Glycine 0 C--N 1.313 -0.713 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -170.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 16.7 p -145.01 143.98 30.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -108.58 37.59 2.47 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.321 0.582 . . . . 0.0 109.47 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.626 ' HG3' HG13 ' A' ' 521' ' ' VAL . 12.5 ptmm? -99.17 -24.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.801 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.626 HG13 ' HG3' ' A' ' 520' ' ' LYS . 18.1 m -121.79 162.05 21.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.933 0.397 . . . . 0.0 110.815 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.85 149.94 52.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.155 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -125.05 -174.2 2.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.645 -1.161 . . . . 0.0 108.555 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.9 p -117.1 -32.75 4.93 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 13.0 m -138.99 165.27 27.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.239 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -69.14 -25.37 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.084 0.469 . . . . 0.0 110.501 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -60.23 -47.69 84.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.109 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.521 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 27.1 m -63.97 -35.74 81.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.569 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.78 -48.32 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.898 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -73.1 -35.21 66.55 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.313 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.572 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -72.98 -37.49 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.108 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . 0.572 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 29.7 t70 -70.53 -14.89 62.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 59.5 t-105 -58.69 -26.41 63.83 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.489 -173.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.439 ' HA ' HE21 ' A' ' 537' ' ' GLN . 98.5 mttt -66.54 -33.91 76.73 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 122.255 -0.278 . . . . 0.0 111.171 -176.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 539' ' ' ILE . 31.5 t70 -94.18 -37.55 11.51 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.676 1.226 . . . . 0.0 109.517 170.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.554 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 72.6 t60 -66.22 -33.14 75.09 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.271 -169.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.439 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.3 pt20 -58.7 -36.92 75.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 22.8 p80 -80.15 -23.86 40.8 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.934 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.6 OUTLIER -88.07 -44.81 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 110.062 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.5 t -51.67 122.44 8.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.245 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.748 -177.542 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.448 HE21 ' HB3' ' A' ' 502' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.109 0.48 . . . . 0.0 110.361 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.6 m -129.39 136.72 50.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.668 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 43.0 t -61.07 123.43 17.62 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.62 -15.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.983 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -103.16 -25.19 13.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.622 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 33.7 m -122.58 -76.25 0.59 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 167.37 -153.5 23.04 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.915 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 509' ' ' ARG . 44.6 ttt180 -52.0 -12.07 0.2 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.13 -3.17 3.44 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 122.111 -0.368 . . . . 0.0 111.878 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.636 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.08 141.35 6.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.7 tpt -147.11 -23.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.22 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.0 m -124.32 154.64 39.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.178 0.513 . . . . 0.0 111.187 -175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -114.61 163.02 16.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.504 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.506 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -75.03 124.78 27.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.53 0.681 . . . . 0.0 110.141 175.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.3 m -79.92 119.83 23.3 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 164.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.46 -55.84 0.75 Allowed Glycine 0 C--N 1.313 -0.736 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -168.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.638 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 16.7 p -142.13 142.4 32.75 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 168.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -105.48 30.55 5.6 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.186 0.517 . . . . 0.0 109.771 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.638 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 8.6 ptpp? -88.65 -29.77 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.256 -177.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.6 m -122.87 158.8 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.054 0.454 . . . . 0.0 110.159 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.59 148.62 52.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.434 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -125.61 -175.47 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.287 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.668 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 14.4 p -115.22 -18.88 11.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.232 0.539 . . . . 0.0 109.939 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 163.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.885 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 2.5 m -65.14 -24.85 67.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 0.0 110.982 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -61.53 -49.23 77.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.74 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 63.6 m -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.577 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.506 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 3.3 tp60 -58.01 -47.21 83.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.656 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.74 -37.14 65.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.252 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.74 ' HG3' ' HA ' ' A' ' 528' ' ' CYS . 0.0 OUTLIER -69.74 -36.87 76.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.05 -177.506 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . 0.6 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 34.1 t70 -71.79 -13.58 61.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.955 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.558 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 63.9 t-105 -58.48 -27.08 64.1 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.279 -173.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.417 ' HA ' HE21 ' A' ' 537' ' ' GLN . 29.0 mmmt -59.62 -39.15 83.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.199 -0.313 . . . . 0.0 111.319 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.456 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 5.2 t70 -93.48 -38.75 11.25 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.561 1.172 . . . . 0.0 109.124 173.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 49.7 t60 -64.96 -32.72 74.58 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.283 -170.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.417 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.1 pt20 -63.97 -31.1 72.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.3 p80 -83.23 -20.77 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.08 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 536' ' ' HIS . 1.0 OUTLIER -92.79 -46.33 14.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.308 178.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 8.8 t -52.0 123.45 10.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.972 0.891 . . . . 0.0 112.072 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.845 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.832 179.766 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.56 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 3.7 pt20 . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 62.2 m -112.14 129.45 56.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.069 0.461 . . . . 0.0 111.801 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 48.3 t -59.11 127.99 34.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -26.98 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.944 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -92.33 -34.65 14.12 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.457 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 12.0 m -121.79 -80.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.473 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.22 -160.86 26.6 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.787 -174.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -51.9 -11.11 0.14 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -173.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.96 -1.63 4.29 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.617 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -52.1 122.5 8.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.719 0.771 . . . . 0.0 112.096 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -136.37 -11.33 1.89 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.153 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 t -124.5 156.41 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.558 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.96 156.78 34.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.821 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.515 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.2 t -71.47 125.36 26.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.354 0.597 . . . . 0.0 109.862 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.5 m -78.36 120.9 23.77 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 167.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.76 -51.16 0.87 Allowed Glycine 0 C--N 1.31 -0.89 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -170.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.407 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 14.0 p -138.58 143.78 39.52 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 171.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -106.9 25.36 11.41 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.076 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.407 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 0.1 OUTLIER -86.17 -28.47 23.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.399 -177.277 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.56 160.93 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.25 149.31 52.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.964 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.79 -177.02 3.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.728 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.1 p -122.56 -1.13 9.08 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.724 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 35.3 t -174.17 161.3 3.53 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.15 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.3 m -67.17 -24.24 65.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.025 0.441 . . . . 0.0 110.515 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.56 -48.68 80.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.48 -36.6 83.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.515 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.6 tp60 -58.77 -48.61 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.197 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -73.23 -31.33 64.07 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.179 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -70.18 -43.89 69.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.113 0.483 . . . . 0.0 110.812 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.47 -10.79 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.167 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.532 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 71.0 t-105 -57.97 -27.02 63.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.66 -175.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -56.82 -42.14 79.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 539' ' ' ILE . 23.5 t70 -92.96 -36.86 12.53 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 122.327 1.06 . . . . 0.0 109.47 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 64.9 t60 -65.86 -32.44 73.96 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.315 -169.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -60.81 -37.33 81.62 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.846 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.5 p80 -79.61 -19.96 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.198 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.8 OUTLIER -92.75 -44.93 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.193 178.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . 0.458 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.6 t -51.62 123.19 9.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.717 0.77 . . . . 0.0 111.675 -175.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 CA-C-N 114.843 -1.071 . . . . 0.0 113.101 179.395 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.473 ' HB1' ' HA ' ' A' ' 510' ' ' GLU . . . -81.17 57.22 3.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.248 0.546 . . . . 0.0 110.831 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -140.15 -38.8 0.45 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.687 176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.18 -29.32 70.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.841 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 502' ' ' GLN . 2.7 pt20 -133.24 153.5 51.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.612 0.244 . . . . 0.0 110.512 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 3.2 p -128.88 127.31 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.356 -176.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.668 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 48.2 t -62.3 125.53 24.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.17 -16.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.857 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -103.77 -23.57 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.253 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 53.2 m -122.47 -87.32 0.64 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.129 0.49 . . . . 0.0 112.125 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -177.4 -162.11 27.07 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.717 -174.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 35.4 ptt180 -53.46 -9.86 0.21 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.473 ' HA ' ' HB1' ' A' ' 499' ' ' ALA . 7.0 mp0 -64.27 -3.78 3.15 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.668 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.17 139.96 4.26 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.429 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 50.0 ttm -148.26 -24.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.488 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.8 m -123.79 142.76 50.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.25 0.548 . . . . 0.0 111.252 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -106.77 164.17 12.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.763 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.9 t -77.13 125.62 29.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.346 0.593 . . . . 0.0 110.305 174.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 2.9 t -77.94 122.09 25.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 167.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.06 -52.65 0.82 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.57 146.51 44.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -109.11 21.12 17.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.554 ' HG3' HG13 ' A' ' 521' ' ' VAL . 20.1 ptmt -87.37 -23.47 24.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.906 -174.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.554 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -125.3 157.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 118.0 0.364 . . . . 0.0 110.381 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 147.2 51.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.368 0.604 . . . . 0.0 111.265 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.408 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 83.2 m-85 -125.84 -172.75 2.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 21.3 p -110.97 -34.47 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.411 0.624 . . . . 0.0 109.48 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.7 p -146.43 172.57 13.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.264 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 24.4 m -68.15 -25.63 65.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -60.23 -49.52 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.617 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 95.2 m -66.22 -35.68 81.07 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.464 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.565 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.1 tp60 -59.14 -48.59 81.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.061 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.89 -36.46 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.897 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.619 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -68.53 -36.88 79.46 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.634 -178.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . 0.619 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 30.3 t70 -72.17 -13.3 61.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 55.8 t-105 -59.44 -26.51 65.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.13 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.413 ' HA ' HE21 ' A' ' 537' ' ' GLN . 60.0 mttp -62.84 -35.78 81.07 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.427 -0.171 . . . . 0.0 110.6 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 34.8 t70 -93.25 -39.33 11.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.587 1.185 . . . . 0.0 109.53 171.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 57.7 t60 -66.01 -32.12 73.41 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.312 -169.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.7 pt20 -61.5 -33.55 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.753 -176.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 16.6 p80 -80.38 -20.37 44.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.049 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -92.73 -47.42 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.871 178.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.511 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.2 t -56.04 120.53 7.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.556 0.693 . . . . 0.0 110.651 -177.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 142.32 -40.18 1.3 Allowed Glycine 0 C--N 1.315 -0.591 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.856 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -73.88 -79.73 0.08 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.3 m 89.78 60.81 0.01 OUTLIER 'General case' 0 C--O 1.235 0.331 0 CA-C-O 122.054 0.931 . . . . 0.0 110.555 165.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.735 0 CA-C-N 114.281 -1.327 . . . . 0.0 108.332 175.582 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.311 -0.315 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -141.76 28.13 1.79 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.981 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 87.1 mtp -125.85 -18.11 5.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.941 0.4 . . . . 0.0 110.97 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.85 -23.61 66.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.316 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -130.1 152.89 49.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -175.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 16.0 m -126.15 128.07 46.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.938 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.703 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 33.2 t -61.15 123.42 17.64 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.7 -19.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.207 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 10.5 t30 -95.57 -39.76 9.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.909 -178.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.1 p -121.29 -73.6 0.64 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 119.337 -0.945 . . . . 0.0 112.558 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.405 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -167.63 -168.73 30.2 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.839 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -52.57 -9.24 0.11 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.193 1.182 . . . . 0.0 114.193 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.4 -2.69 0.52 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.784 0.434 . . . . 0.0 111.975 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.703 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.05 153.19 0.33 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.8 ttt -168.11 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.675 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.0 m -123.11 140.35 53.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.638 0.256 . . . . 0.0 110.384 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -100.87 163.59 12.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.819 0.343 . . . . 0.0 110.721 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.555 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.33 124.9 27.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.497 172.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.6 t -78.24 119.8 22.12 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 166.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.8 -50.1 0.9 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.598 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 13.2 p -144.7 145.76 31.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -108.33 24.94 12.27 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.705 ' HE3' ' HB3' ' A' ' 544' ' ' ALA . 5.7 ptpp? -85.96 -18.72 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.68 157.3 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.47 154.09 42.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.395 0.616 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.429 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 87.4 m-85 -126.41 -171.93 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.563 -1.199 . . . . 0.0 108.453 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 27.7 p -108.52 -44.3 4.11 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.76 0.791 . . . . 0.0 109.213 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 12.8 t -143.38 172.43 12.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.613 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.7 m -62.46 -28.03 69.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.25 -51.24 70.4 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.48 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 57.1 m -64.47 -35.75 81.95 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.137 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.555 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.1 -48.59 81.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.378 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -73.07 -31.89 64.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.239 0.542 . . . . 0.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -70.15 -43.42 70.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.413 0.625 . . . . 0.0 110.93 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -77.77 -11.51 59.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.026 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.518 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 76.6 t-105 -59.39 -27.2 65.78 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.341 -173.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.464 ' HA ' HE21 ' A' ' 537' ' ' GLN . 75.9 mttt -69.41 -30.02 67.88 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.678 -174.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 539' ' ' ILE . 0.4 OUTLIER -93.95 -37.52 11.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.493 1.139 . . . . 0.0 109.676 170.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.2 t60 -65.71 -33.08 75.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.391 -173.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.464 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.2 pt20 -62.27 -30.08 70.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -83.81 -22.61 31.73 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.153 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.512 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -90.38 -46.24 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.512 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.5 t -53.77 120.94 6.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.342 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 135.38 -22.05 3.58 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.491 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -66.02 146.41 54.73 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.5 m -75.54 90.36 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.733 -175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . 0.705 ' HB3' ' HE3' ' A' ' 520' ' ' LYS . . . . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.319 -0.848 . . . . 0.0 109.812 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 66.7 138.63 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.409 0.684 . . . . 0.0 112.02 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 5.2 mpp? 56.74 37.27 28.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.766 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -83.06 2.01 37.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.788 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.446 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.0 OUTLIER -137.83 141.49 40.8 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.501 -0.772 . . . . 0.0 108.992 -173.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.87 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 6.4 m -109.28 131.12 55.37 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.952 -176.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.574 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.7 t -61.11 120.92 11.23 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.45 -16.89 18.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.219 -174.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.552 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 18.5 t30 -98.59 -37.62 9.46 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 508' ' ' GLY . 17.4 p -123.53 -75.1 0.6 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 119.144 -1.022 . . . . 0.0 113.136 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -160.25 178.05 36.45 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.579 -174.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.87 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 3.0 ptm180 -54.59 -7.69 0.18 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -178.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -58.65 -0.93 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.248 0.619 . . . . 0.0 112.232 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.574 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.54 152.56 0.45 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.5 tpt -160.03 -28.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.348 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 144.4 49.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.712 0.291 . . . . 0.0 110.476 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -101.65 155.07 18.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 110.491 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.554 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.1 t -71.61 125.86 28.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.687 173.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 27.4 m -75.9 120.01 20.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 133.5 -46.87 1.03 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.363 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.23 165.51 23.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -129.99 26.97 5.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.968 173.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.529 ' HG3' HG13 ' A' ' 521' ' ' VAL . 18.7 ptmt -89.49 -26.5 20.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.529 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.0 m -130.12 159.0 42.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.693 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 156.91 39.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.427 0.632 . . . . 0.0 111.167 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 515' ' ' CYS . 82.1 m-85 -127.1 -171.86 2.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.749 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.9 p -112.29 -39.55 4.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.6 p -144.47 171.7 13.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.389 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 33.1 m -70.41 -23.94 62.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.979 0.419 . . . . 0.0 110.483 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.38 -50.11 74.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.552 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 66.8 m -65.62 -35.7 81.56 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.384 -0.526 . . . . 0.0 109.679 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.554 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.3 tp60 -57.48 -48.84 78.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.69 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -73.87 -30.68 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.314 0.578 . . . . 0.0 110.385 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.442 ' HD2' ' OD1' ' A' ' 506' ' ' ASN . 13.9 tmtt? -70.45 -42.8 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.416 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.66 -11.69 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.186 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 65.4 t-105 -59.75 -26.22 65.5 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.692 -172.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.425 ' HA ' HE21 ' A' ' 537' ' ' GLN . 95.3 mttt -68.51 -32.19 71.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.215 -0.303 . . . . 0.0 111.233 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 25.5 t70 -92.78 -38.62 11.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.541 1.162 . . . . 0.0 109.606 170.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 80.2 t60 -67.97 -32.34 72.68 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.48 -169.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.425 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.6 pt20 -59.23 -38.09 79.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.6 p80 -77.28 -18.93 57.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.627 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.5 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.84 -44.91 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.667 177.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.5 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.2 t -55.22 121.82 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.085 0.945 . . . . 0.0 111.336 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 145.23 -35.24 1.47 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.488 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -105.66 158.56 16.62 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 70.5 m -115.17 49.62 1.05 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.272 0.558 . . . . 0.0 110.126 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.557 178.446 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -129.75 117.16 19.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 52.5 ttm -70.3 -17.93 63.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.283 0.563 . . . . 0.0 110.623 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.13 -22.6 65.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.039 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -134.72 156.74 48.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.029 0.442 . . . . 0.0 111.129 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 68.3 m -130.56 137.66 49.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.328 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.899 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.2 t -60.4 124.28 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.33 -16.49 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.684 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -97.37 -32.19 12.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 5.0 m -122.44 -83.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.712 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.472 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.69 -156.29 17.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.624 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -52.23 -8.14 0.07 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.82 -2.22 8.99 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.142 -0.349 . . . . 0.0 111.55 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.62 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -47.96 148.2 1.77 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.438 0.637 . . . . 0.0 112.706 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.7 ptp -163.29 -24.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.555 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 26.3 m -123.7 151.05 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.408 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.02 163.51 14.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.57 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.7 t -79.54 124.81 28.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.126 175.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.2 m -77.39 122.21 24.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.28 -35.88 2.35 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.28 159.34 42.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -120.27 33.21 5.68 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.55 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.661 ' HG3' HG13 ' A' ' 521' ' ' VAL . 16.6 ptmt -106.97 -26.59 11.12 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.661 HG13 ' HG3' ' A' ' 520' ' ' LYS . 30.5 m -118.91 157.5 20.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.314 -0.866 . . . . 0.0 110.858 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.71 145.07 51.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -127.26 -176.96 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.727 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.899 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 3.6 p -121.65 -4.55 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.303 0.573 . . . . 0.0 109.811 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 46.9 t -164.97 160.53 19.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 27.3 m -69.36 -25.8 64.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.05 0.453 . . . . 0.0 110.011 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.91 -49.47 76.06 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.639 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -61.93 -35.6 78.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.063 0.459 . . . . 0.0 109.85 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.57 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.2 OUTLIER -59.42 -48.83 80.13 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.351 177.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -72.67 -30.79 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.699 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.495 ' HD3' ' C ' ' A' ' 531' ' ' LYS . 1.2 tmtp? -69.93 -44.31 69.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -74.7 -10.75 59.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.123 0.487 . . . . 0.0 111.02 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -59.34 -25.21 64.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.497 -173.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.423 ' HA ' HE21 ' A' ' 537' ' ' GLN . 29.2 mtmm -65.92 -40.3 91.33 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 122.249 -0.282 . . . . 0.0 110.707 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.494 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 3.8 t70 -92.0 -36.91 13.13 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 122.716 1.246 . . . . 0.0 109.636 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.4 ' CE1' HG21 ' A' ' 521' ' ' VAL . 76.3 t60 -68.1 -32.07 72.12 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.577 -170.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.423 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.5 pt20 -58.66 -38.68 78.68 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.678 -0.409 . . . . 0.0 112.085 -175.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.3 p80 -76.61 -18.13 58.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.738 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' ' 538' ' ' HIS . 0.5 OUTLIER -93.39 -44.69 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.419 177.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.461 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.5 t -53.21 122.19 9.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.759 0.79 . . . . 0.0 111.576 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 148.71 -19.52 1.28 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 114.198 -1.364 . . . . 0.0 111.307 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.431 ' O ' ' HD2' ' A' ' 520' ' ' LYS . 28.2 mt-30 -110.84 91.18 3.56 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.24 -0.48 . . . . 0.0 111.609 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.2 m -101.25 2.28 39.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.393 0.615 . . . . 0.0 109.496 171.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.159 -178.378 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 112.687 -0.165 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 64.64 35.82 8.78 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 170.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . 0.454 ' HB2' ' HD3' ' A' ' 509' ' ' ARG . 23.7 ptt? -142.76 8.42 1.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.336 0.589 . . . . 0.0 109.536 169.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.94 -13.68 59.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.894 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.64 156.66 47.25 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.797 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 18.2 m -128.6 132.95 48.2 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.825 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.1 t -59.9 123.9 18.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.21 -16.63 14.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.76 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.97 -30.61 10.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.549 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.23 -82.49 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.53 -174.53 37.97 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.006 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.797 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 17.2 ptp180 -55.22 -8.44 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.22 -1.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -46.67 132.49 11.0 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.449 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 21.0 mmt -130.44 -27.1 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.875 -178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 24.8 t -123.9 156.3 36.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.2 0.524 . . . . 0.0 111.117 -170.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.22 163.94 15.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.52 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.58 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -78.41 127.58 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.384 0.611 . . . . 0.0 110.195 176.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 6.0 t -79.67 121.64 25.56 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 165.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.12 -52.52 0.83 Allowed Glycine 0 CA--C 1.501 -0.796 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -170.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 14.4 p -140.5 143.57 35.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 169.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -105.99 29.06 7.02 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.75 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.566 ' HG3' HG13 ' A' ' 521' ' ' VAL . 18.4 ptmt -95.28 -19.83 19.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.6 m -120.91 159.52 22.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.891 -0.505 . . . . 0.0 110.657 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.74 143.52 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 92.6 m-85 -124.06 178.59 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.577 -176.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.825 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.9 p -118.27 -18.75 9.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.09 0.471 . . . . 0.0 110.175 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.9 m -148.85 161.3 42.11 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.8 m -67.19 -26.65 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.27 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.938 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.09 -35.78 81.88 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.58 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.8 tp60 -59.33 -48.48 81.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -73.62 -31.67 63.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.272 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 531' ' ' LYS . 14.4 tmtt? -71.85 -42.85 66.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.643 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.91 -14.49 62.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.425 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.59 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 65.8 t-105 -57.64 -26.64 61.9 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.65 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -62.3 -36.31 81.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 33.8 t70 -93.68 -39.24 10.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.701 1.239 . . . . 0.0 109.734 169.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.59 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 67.3 t60 -64.98 -32.29 73.94 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.509 -168.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -59.91 -35.66 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.651 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.504 ' CE1' HG22 ' A' ' 539' ' ' ILE . 15.8 p80 -78.47 -22.29 47.75 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.952 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.504 HG22 ' CE1' ' A' ' 538' ' ' HIS . 0.5 OUTLIER -90.74 -46.5 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.849 179.023 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.477 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.9 t -53.44 121.27 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.754 0.788 . . . . 0.0 111.394 -175.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 149.26 -31.81 1.16 Allowed Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.338 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -88.6 150.83 22.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.867 -0.667 . . . . 0.0 110.042 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 23.8 m -126.08 -40.54 2.0 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.089 0.471 . . . . 0.0 110.413 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.403 178.598 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.299 -0.32 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -108.63 -64.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 50.4 mtt -148.69 33.55 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.459 0.647 . . . . 0.0 110.216 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -89.91 -10.51 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.957 0.884 . . . . 0.0 108.621 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.415 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.2 OUTLIER -136.66 159.7 41.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.226 -179.226 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.709 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 34.8 m -129.29 133.76 47.62 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.856 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.29 124.17 19.47 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.54 -18.07 19.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.421 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.28 -33.05 10.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.506 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -121.56 -83.85 0.66 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.085 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.44 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -165.87 -176.19 37.01 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.481 -174.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 39.5 mtp180 -54.21 -10.07 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.57 -0.91 0.47 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.609 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -44.96 113.83 0.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.455 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 53.8 ttp -121.99 -20.09 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.047 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 16.7 m -123.12 146.41 47.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.436 0.636 . . . . 0.0 111.752 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -112.53 165.8 11.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.388 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 523' ' ' TYR . 0.9 OUTLIER -78.02 124.99 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.418 0.628 . . . . 0.0 110.248 173.037 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 14.6 m -78.68 120.54 23.5 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 167.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.35 -49.1 0.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.391 -0.909 . . . . 0.0 111.465 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.6 p -141.66 150.22 41.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -119.71 31.37 6.59 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.055 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.513 ' HG3' HG13 ' A' ' 521' ' ' VAL . 17.6 ptpt -87.28 -30.11 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.513 HG13 ' HG3' ' A' ' 520' ' ' LYS . 33.4 m -121.87 158.7 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.3 149.15 52.12 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.505 0.669 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.412 ' CE1' ' HA ' ' A' ' 529' ' ' GLN . 89.3 m-85 -123.68 -172.13 2.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.826 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.856 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 12.0 p -121.18 -17.41 7.73 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.056 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 72.1 m -154.13 163.92 39.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 39.6 m -67.8 -24.93 65.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.705 0.288 . . . . 0.0 110.847 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -61.47 -49.46 76.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.266 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.57 78.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.215 0.531 . . . . 0.0 109.899 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.412 ' HA ' ' CE1' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -63.85 -49.07 74.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.698 -179.785 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.81 -29.73 64.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.064 0.459 . . . . 0.0 111.039 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -71.15 -42.17 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.24 0.543 . . . . 0.0 110.044 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.32 -13.14 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.633 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 68.8 t-105 -59.79 -26.44 65.73 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.609 -172.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.469 ' HA ' HE21 ' A' ' 537' ' ' GLN . 99.1 mttt -63.61 -35.35 80.21 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.103 -0.373 . . . . 0.0 111.096 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.462 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 26.1 t70 -93.0 -37.0 12.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.433 1.111 . . . . 0.0 109.603 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.3 t60 -67.87 -32.64 73.29 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.395 -170.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.3 pt20 -59.8 -35.33 74.46 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 17.4 p80 -81.47 -20.74 39.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.436 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.9 OUTLIER -92.02 -44.05 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.165 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.459 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.9 t -54.05 122.07 9.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.586 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 148.07 -61.86 0.44 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.979 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -155.27 -178.3 7.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -174.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.9 m -133.95 -23.33 1.77 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.087 0.47 . . . . 0.0 110.467 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.717 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 112.362 -0.295 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -164.67 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.314 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 23.6 mmt -114.84 95.43 5.22 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -91.8 -7.47 49.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.776 -173.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.449 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 8.2 pt20 -134.54 155.59 50.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.546 -176.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.2 m -120.26 125.94 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.752 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 37.9 t -61.38 124.5 20.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.684 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.87 -20.31 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.404 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -93.46 -42.21 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.755 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 p -120.7 -70.84 0.76 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 119.126 -1.03 . . . . 0.0 112.023 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.439 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -178.46 -156.17 16.23 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.444 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -7.87 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.83 -4.62 4.6 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.005 0.366 . . . . 0.0 111.847 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.752 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -51.06 148.38 4.44 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 56.8 ttp -166.9 -27.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.179 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.1 m -122.56 155.57 36.0 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.558 0.218 . . . . 0.0 110.607 -173.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -120.97 155.56 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.566 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.551 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -70.77 127.54 33.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.546 0.688 . . . . 0.0 110.362 177.107 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 m -77.5 120.42 22.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 165.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.42 -53.53 0.8 Allowed Glycine 0 C--N 1.31 -0.899 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.529 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 12.7 p -138.84 144.32 39.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -114.64 37.92 3.27 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.36 0.6 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.543 ' HG3' HG13 ' A' ' 521' ' ' VAL . 6.4 ptpp? -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.346 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.543 HG13 ' HG3' ' A' ' 520' ' ' LYS . 30.9 m -127.76 160.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -177.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.6 153.33 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.459 0.647 . . . . 0.0 110.688 177.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.429 ' HA ' ' SG ' ' A' ' 504' ' ' CYS . 92.6 m-85 -124.89 -171.6 2.39 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.372 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.597 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 28.0 p -107.44 -44.42 4.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.854 0.835 . . . . 0.0 109.224 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 47.9 t -145.89 168.14 21.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.506 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 12.9 m -60.93 -24.33 65.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.282 . . . . 0.0 111.402 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.57 -50.54 73.49 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.258 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.0 -35.32 80.26 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.406 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.551 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.9 tp60 -58.99 -48.47 81.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.185 0.517 . . . . 0.0 110.002 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -73.47 -31.17 63.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.151 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -73.69 -42.9 60.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.02 -14.79 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.59 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -58.79 -27.27 64.86 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.637 -176.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.4 ' HA ' HE21 ' A' ' 537' ' ' GLN . 56.8 mttp -63.85 -33.24 75.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.949 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.464 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 14.9 t70 -94.0 -40.59 10.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.622 1.201 . . . . 0.0 109.438 170.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.59 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 61.8 t60 -64.53 -32.02 73.48 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.138 -168.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.4 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.4 pt20 -60.95 -33.24 72.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.796 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 13.5 p80 -80.83 -21.0 41.18 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.738 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.498 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.7 OUTLIER -92.95 -47.34 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.891 178.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.498 ' N ' HG13 ' A' ' 539' ' ' ILE . 6.8 t -54.71 120.67 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.564 0.697 . . . . 0.0 110.689 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 138.33 -24.02 2.96 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.582 -175.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -85.83 150.77 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 40.4 t 57.03 55.92 5.69 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.247 0.546 . . . . 0.0 110.276 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.225 -179.756 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 63.71 22.31 13.05 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.006 0.431 . . . . 0.0 111.217 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 65.9 mtt -134.46 18.84 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.426 0.631 . . . . 0.0 109.628 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -106.34 -4.84 19.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.229 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.4 149.67 48.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.658 -1.156 . . . . 0.0 109.674 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.648 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 41.7 m -117.72 131.3 56.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.677 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 45.5 t -60.56 123.38 17.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 14.4 p -65.32 -20.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.837 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 12.5 t30 -96.58 -34.85 11.28 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.736 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.5 p -127.12 -75.08 0.58 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.95 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.437 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -163.1 -175.85 34.54 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 119.542 -1.313 . . . . 0.0 114.288 -175.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.648 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 96.3 mtt180 -53.8 -9.97 0.27 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -61.87 0.62 0.35 Allowed 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 122.669 0.388 . . . . 0.0 111.886 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.677 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.49 163.79 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.5 ttt -178.44 -28.21 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.064 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 10.7 t -119.87 155.09 33.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.011 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -124.87 162.77 23.64 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -172.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 126.05 29.31 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.442 0.639 . . . . 0.0 109.996 174.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.2 m -79.58 121.0 24.7 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 166.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.9 -50.75 0.88 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.6 ' HB2' ' HZ3' ' A' ' 520' ' ' LYS . 10.1 p -142.5 144.72 33.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 170.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -114.77 37.9 3.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.605 0.716 . . . . 0.0 109.912 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.6 ' HZ3' ' HB2' ' A' ' 518' ' ' CYS . 4.7 ptpp? -94.3 -21.36 19.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.486 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.554 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.5 m -120.79 160.01 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 110.666 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.78 145.8 51.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.533 0.682 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -126.2 -169.14 1.96 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.566 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 31.9 p -112.63 -41.62 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.395 0.616 . . . . 0.0 109.477 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.0 p -139.14 172.11 13.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.897 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 26.6 m -67.76 -25.96 65.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 0.0 110.345 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -60.72 -50.47 73.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.374 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 506' ' ' ASN . 58.4 m -65.45 -35.06 79.79 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.165 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -48.39 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.29 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -73.34 -31.16 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -70.55 -42.92 70.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.06 -12.98 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.912 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 73.3 t-105 -59.37 -26.89 65.47 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.79 -176.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.413 ' HA ' HE21 ' A' ' 537' ' ' GLN . 28.2 mtpp -60.53 -36.53 78.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.041 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 539' ' ' ILE . 28.7 t70 -93.41 -38.77 11.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.529 1.157 . . . . 0.0 109.558 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -66.5 -31.71 72.61 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.176 -168.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.5 pt20 -61.46 -36.21 79.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.716 -0.393 . . . . 0.0 112.006 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.6 p80 -78.94 -18.67 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.242 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.6 OUTLIER -93.67 -45.6 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.95 178.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.485 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.93 120.38 6.28 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.816 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 140.95 -28.99 2.36 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.66 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -78.65 150.55 32.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 47.7 m -112.9 -46.77 3.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.595 0.236 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.189 -179.413 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -157.84 -9.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 27.1 ttt -157.38 -25.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.546 -0.462 . . . . 0.0 112.022 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 501' ' ' GLU . 1.6 pm0 -77.87 -3.96 44.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.421 ' NE2' ' HG2' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -137.44 151.89 48.99 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.661 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.7 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 3.7 p -128.79 134.49 48.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.782 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.3 t -59.73 124.19 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.12 -15.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.834 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -101.14 -28.99 12.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.5 m -128.99 -86.06 0.55 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -167.62 -171.15 33.29 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.44 -174.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.7 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 98.0 mtt180 -54.25 -10.36 0.37 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.56 -0.83 1.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.885 0.374 . . . . 0.0 111.965 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -44.88 119.89 2.13 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.467 178.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 25.2 ttt -127.03 -21.46 3.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.753 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 40.8 m -123.01 144.93 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.384 0.611 . . . . 0.0 111.157 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.65 162.89 14.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.392 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.46 121.64 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.405 0.621 . . . . 0.0 109.658 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.4 m -78.78 118.71 21.1 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 165.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.92 -56.85 0.73 Allowed Glycine 0 C--N 1.311 -0.851 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -167.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.5 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 11.9 p -141.48 145.28 35.02 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 170.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -109.9 28.51 8.52 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.56 ' HG3' HG13 ' A' ' 521' ' ' VAL . 13.5 ptmm? -86.36 -20.1 28.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.793 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.56 HG13 ' HG3' ' A' ' 520' ' ' LYS . 36.0 m -132.97 160.11 42.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.949 0.404 . . . . 0.0 110.163 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.33 153.34 47.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -126.82 179.88 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.305 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.782 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.1 p -120.76 -8.5 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.167 -176.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 82.8 p -152.96 164.16 38.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.2 m -67.81 -28.14 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.35 0.595 . . . . 0.0 109.468 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.01 -47.94 82.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.088 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.529 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 35.7 m -59.97 -36.6 77.5 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.46 -47.97 83.81 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.776 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -72.23 -37.5 69.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.749 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -69.28 -37.33 77.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.596 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . 0.749 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 26.2 t70 -72.88 -14.16 61.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.676 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -57.79 -30.8 65.97 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.644 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.442 ' HA ' HE21 ' A' ' 537' ' ' GLN . 54.3 mtmt -58.26 -42.29 86.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.311 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 539' ' ' ILE . 11.3 m-20 -93.08 -36.12 12.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.107 0.956 . . . . 0.0 110.243 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 539' ' ' ILE . 63.3 t60 -67.42 -34.7 77.78 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.509 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.442 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.6 pt20 -58.94 -35.24 72.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.896 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 16.4 p80 -82.03 -22.73 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.076 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 535' ' ' ASP . 1.0 OUTLIER -89.05 -45.42 15.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 110.251 178.361 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.411 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.0 t -52.41 121.79 7.62 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.726 -178.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 143.35 -35.56 1.64 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.723 -177.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.02 85.57 3.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.975 0.417 . . . . 0.0 110.494 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 21.6 m -147.49 141.86 26.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.863 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.072 178.834 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 65.76 -174.26 0.18 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 122.815 0.446 . . . . 0.0 110.364 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 65.8 mtt -130.47 38.78 3.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.368 0.604 . . . . 0.0 110.353 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -81.58 -39.29 24.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.261 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.504 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 7.4 pt20 -133.95 153.4 51.79 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.698 -171.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.8 p -118.93 125.32 49.18 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.677 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.1 t -60.63 125.84 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.29 -18.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.983 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -101.35 -24.95 14.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.055 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 69.2 m -120.53 -82.29 0.65 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -171.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 165.49 -149.7 16.41 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -176.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -53.38 -10.4 0.23 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.36 3.94 0.83 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 123.794 0.838 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.677 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -71.74 170.69 13.03 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.097 -0.377 . . . . 0.0 110.929 -166.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.1 tpp -173.45 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.428 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 39.9 m -119.83 145.54 46.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -113.75 164.03 14.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.093 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.478 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -76.38 125.78 29.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.937 174.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 3.7 t -79.4 120.58 24.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.33 -54.96 0.77 Allowed Glycine 0 C--N 1.31 -0.867 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 11.2 p -143.39 144.91 32.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -114.34 33.0 5.55 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.516 ' HG3' HG13 ' A' ' 521' ' ' VAL . 9.5 ptmm? -87.63 -16.59 34.01 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.272 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 520' ' ' LYS . 31.2 m -129.77 161.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.09 146.56 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 0.0 111.232 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.421 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 28.5 m-85 -125.87 -170.83 2.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.638 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 21.8 p -113.97 -37.8 4.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.318 0.58 . . . . 0.0 109.446 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 4.2 p -142.7 165.01 28.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.25 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.9 m -64.73 -22.8 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -59.77 -49.68 76.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.796 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.65 -35.46 80.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.852 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.478 ' OE1' ' HB2' ' A' ' 515' ' ' CYS . 37.1 tp60 -59.03 -48.5 81.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.063 0.459 . . . . 0.0 110.022 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -73.06 -30.24 63.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.24 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.27 -42.38 88.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.558 . . . . 0.0 110.5 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.71 -11.87 59.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.944 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.519 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 70.9 t-105 -60.37 -29.48 68.95 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -170.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.459 ' HA ' HE21 ' A' ' 537' ' ' GLN . 96.0 mttt -69.33 -28.28 66.1 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.96 -175.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.515 ' O ' HG23 ' A' ' 539' ' ' ILE . 0.8 OUTLIER -93.61 -38.4 11.37 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 122.479 1.133 . . . . 0.0 109.439 171.162 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 63.2 t60 -67.07 -33.17 74.91 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.599 -173.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 534' ' ' LYS . 9.8 pt20 -61.15 -33.44 73.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -175.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.1 p80 -81.62 -21.4 38.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.14 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -91.72 -45.21 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.826 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.495 ' N ' HG13 ' A' ' 539' ' ' ILE . 9.3 t -53.04 121.45 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.032 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 136.04 -18.83 3.73 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.258 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -84.98 87.2 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.621 0.248 . . . . 0.0 110.542 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.7 m -60.59 98.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.592 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.401 179.783 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 67.81 45.57 1.4 Allowed 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.193 0.597 . . . . 0.0 110.917 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . 0.66 ' HA ' ' HB2' ' A' ' 509' ' ' ARG . 34.5 mtm -150.97 -11.98 0.22 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.004 174.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.53 ' CD ' ' H ' ' A' ' 501' ' ' GLU . 1.0 OUTLIER -81.6 -15.59 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.616 -173.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.497 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.7 OUTLIER -137.72 147.59 44.91 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.4 p -120.87 128.61 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.161 0.505 . . . . 0.0 112.158 -174.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.732 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 41.9 t -64.59 129.21 38.99 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 175.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -21.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.764 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -99.25 -29.22 12.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.73 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 62.8 m -121.07 -49.23 2.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -167.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . 128.14 -150.73 18.53 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.586 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.66 ' HB2' ' HA ' ' A' ' 500' ' ' MET . 13.3 ptp180 -53.09 -12.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -175.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.23 -4.34 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.732 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -50.73 150.79 2.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 47.0 ttm -153.92 -27.86 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.335 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.6 t -122.87 155.53 36.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.521 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -117.16 163.48 16.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.49 124.27 27.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.742 174.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 60.5 m -77.67 120.16 22.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.57 -59.8 0.68 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -168.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.7 p -134.72 144.15 47.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.57 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -112.16 32.57 5.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.06 0.457 . . . . 0.0 110.077 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -86.82 -28.87 22.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.14 157.81 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.45 152.09 47.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.34 0.59 . . . . 0.0 110.757 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -125.67 -172.56 2.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.956 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 511' ' ' ALA . 25.0 p -108.87 -37.46 5.85 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 6.0 p -145.4 171.78 14.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.146 -177.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -62.26 -29.95 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -59.92 -49.21 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.133 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 67.6 m -65.78 -35.05 79.6 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.854 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -60.65 -49.33 77.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 109.892 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . 0.415 ' HD3' ' HA ' ' A' ' 530' ' ' ARG . 22.1 mmt180 -72.54 -32.47 66.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.092 -177.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' A' ' 531' ' ' LYS . 0.0 OUTLIER -69.7 -41.74 74.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.303 178.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.91 -13.28 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.603 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 67.7 t-105 -58.27 -30.81 66.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.093 -173.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.412 ' HA ' HE21 ' A' ' 537' ' ' GLN . 51.6 mtmt -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 119.721 -0.18 . . . . 0.0 111.349 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 539' ' ' ILE . 29.1 t70 -93.0 -37.84 11.97 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.342 1.068 . . . . 0.0 109.663 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.5 t60 -67.23 -32.63 73.79 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.411 -170.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.4 pt20 -59.84 -38.16 81.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.5 p80 -79.67 -21.7 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.984 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.04 -44.92 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.342 178.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.445 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.4 t -53.07 121.77 8.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.395 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 144.54 -31.42 1.79 Allowed Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.283 -175.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 66.58 -79.97 0.03 OUTLIER 'General case' 0 C--N 1.339 0.111 0 C-N-CA 123.912 0.885 . . . . 0.0 111.517 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.7 p -84.2 64.41 8.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.361 0.601 . . . . 0.0 110.885 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.173 178.929 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.957 -0.457 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.406 ' HB1' ' NE2' ' A' ' 502' ' ' GLN . . . -106.56 125.56 51.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.01 0.434 . . . . 0.0 111.601 -178.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -151.45 18.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 110.02 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -103.27 -1.27 29.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.183 -175.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.591 ' HG2' ' HB3' ' A' ' 511' ' ' ALA . 0.5 OUTLIER -144.22 146.92 32.98 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.393 -175.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 75.4 m -125.55 137.92 53.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.132 0.491 . . . . 0.0 112.08 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.833 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.6 t -60.07 127.72 33.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.98 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.06 -11.92 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -104.5 -31.42 9.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.69 -86.35 0.65 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.443 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -176.6 -158.95 21.22 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.479 -0.867 . . . . 0.0 113.221 -174.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 509' ' ' ARG . 14.9 mtp180 -51.66 -11.61 0.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -173.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 512' ' ' MET . 20.7 tt0 -67.21 -1.87 5.04 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.665 0.269 . . . . 0.0 111.372 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.673 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . -49.62 115.78 1.5 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.202 0.525 . . . . 0.0 112.293 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.621 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 25.6 mmt -123.27 -22.68 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.695 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.9 m -123.93 152.79 42.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 111.451 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -111.65 164.19 13.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.17 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.4 t -76.62 126.94 31.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.398 0.618 . . . . 0.0 109.901 173.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.8 m -77.56 120.51 22.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.51 -52.15 0.84 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.158 -171.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.4 p -136.77 146.05 45.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -109.8 25.64 11.56 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.193 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 520' ' ' LYS . 14.4 ptpt -87.3 -27.11 23.07 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.978 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 30.8 m -127.54 156.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.028 -0.42 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.69 153.11 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 111.396 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.431 ' HE1' ' HB2' ' A' ' 515' ' ' CYS . 89.8 m-85 -125.45 -178.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.459 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.833 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 8.9 p -117.63 -25.53 6.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.089 0.471 . . . . 0.0 110.032 -177.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 14.2 m -143.87 162.34 36.36 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 28.7 m -66.48 -27.12 67.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.108 0.48 . . . . 0.0 110.146 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -60.08 -48.17 82.85 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.071 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.69 0.281 . . . . 0.0 110.308 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.565 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.3 tp60 -59.63 -48.93 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.345 0.593 . . . . 0.0 110.05 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -73.87 -35.16 64.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.496 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -65.47 -43.61 89.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.126 0.489 . . . . 0.0 110.957 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.67 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.448 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.0 t-105 -59.95 -26.07 65.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.162 -174.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.444 ' HA ' HE21 ' A' ' 537' ' ' GLN . 55.3 mttp -68.7 -32.81 72.88 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.62 -175.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 539' ' ' ILE . 1.8 t0 -93.51 -37.31 11.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.484 1.135 . . . . 0.0 109.435 170.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.4 t60 -67.69 -33.09 74.22 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.922 -170.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.4 pt20 -58.4 -38.01 76.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 20.9 p80 -79.04 -22.47 45.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.893 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.526 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -87.77 -45.88 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.316 -0.553 . . . . 0.0 109.875 178.658 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.526 ' N ' HG13 ' A' ' 539' ' ' ILE . 5.5 t -55.28 121.3 8.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.598 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 144.4 -20.71 2.06 Favored Glycine 0 CA--C 1.501 -0.81 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.528 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -70.97 145.93 49.75 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.751 -0.725 . . . . 0.0 109.792 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.8 t -112.81 -0.68 14.87 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.68 0.753 . . . . 0.0 109.081 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.706 178.507 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.026 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -75.35 74.31 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.266 0.555 . . . . 0.0 110.391 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . 0.543 ' SD ' ' HD3' ' A' ' 509' ' ' ARG . 55.7 mtm -82.72 59.63 4.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.052 -175.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.477 ' HG3' ' HG2' ' A' ' 502' ' ' GLN . 6.5 pt-20 -79.26 -20.05 49.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.783 0.802 . . . . 0.0 110.262 176.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.477 ' HG2' ' HG3' ' A' ' 501' ' ' GLU . 5.7 pt20 -132.12 162.26 31.28 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.734 -172.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 8.4 p -128.62 128.67 44.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.689 0.28 . . . . 0.0 110.254 177.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.7 t -60.63 123.09 16.4 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.06 -14.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.938 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -99.91 -34.43 10.13 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.095 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.8 m -122.03 -83.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -173.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.456 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -169.41 -170.39 33.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.873 -175.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 4.1 ppt_? -53.48 -7.81 0.12 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.07 -2.95 1.45 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.509 0.323 . . . . 0.0 111.665 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.625 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -50.66 154.34 1.4 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.6 ptp -165.65 -20.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.032 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.2 m -124.04 154.57 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.909 -0.495 . . . . 0.0 110.856 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -115.32 154.81 28.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.758 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.545 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -74.37 125.8 29.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.552 177.099 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.8 m -76.93 121.09 22.95 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 134.32 -32.03 2.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.9 p -145.13 177.17 8.98 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 170.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -129.51 28.83 5.14 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 164.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.646 ' HG2' HG13 ' A' ' 521' ' ' VAL . 3.0 ttmm -90.51 -30.08 17.5 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.942 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.646 HG13 ' HG2' ' A' ' 520' ' ' LYS . 34.1 m -118.59 160.13 18.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 121.215 0.531 . . . . 0.0 111.487 -175.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.1 143.02 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 -178.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.404 ' HE2' ' HB2' ' A' ' 515' ' ' CYS . 98.0 m-85 -125.51 178.88 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.773 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 4.9 p -120.46 -13.26 8.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 109.896 -176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 19.8 m -154.77 163.67 39.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 8.8 m -71.29 -28.14 63.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.429 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.8 -47.21 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.797 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.48 -36.39 83.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 110.268 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.545 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 0.8 OUTLIER -56.09 -48.78 75.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.124 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -73.38 -29.49 62.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.484 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.5 -43.25 60.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 110.518 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -74.88 -12.61 60.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.938 0.399 . . . . 0.0 111.074 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -58.12 -30.11 66.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.723 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.427 ' HA ' HE21 ' A' ' 537' ' ' GLN . 26.9 mtpp -59.18 -38.52 80.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.354 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 24.9 t70 -92.56 -41.15 10.39 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.488 1.137 . . . . 0.0 109.845 173.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -65.53 -31.84 73.11 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.033 -169.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.427 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.1 pt20 -60.19 -34.93 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 112.059 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.3 p80 -79.16 -20.37 48.65 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.861 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.521 HG13 ' N ' ' A' ' 540' ' ' CYS . 0.6 OUTLIER -93.36 -45.61 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.649 178.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.521 ' N ' HG13 ' A' ' 539' ' ' ILE . 13.2 t -55.05 121.57 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.385 0.612 . . . . 0.0 111.293 -177.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 110.41 -11.35 30.85 Favored Glycine 0 C--N 1.316 -0.566 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.753 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -81.15 -82.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.8 t -104.71 151.88 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . 0.446 ' HA ' ' HE2' ' A' ' 520' ' ' LYS . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.279 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' A' ' 501' ' ' GLU . . . -61.89 -57.49 11.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.733 0.301 . . . . 0.0 110.772 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . 0.516 ' HA ' ' HB2' ' A' ' 509' ' ' ARG . 66.8 mtt 68.15 -14.22 0.25 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.911 173.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' A' ' 499' ' ' ALA . 7.5 pt-20 -68.96 -20.63 64.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.386 0.612 . . . . 0.0 110.439 176.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.435 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 7.3 pt20 -138.55 154.07 48.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.205 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 5.5 p -121.2 129.2 53.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.888 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.725 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 43.1 t -59.14 123.15 15.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.35 -18.11 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.522 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -97.98 -30.8 12.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 8.7 m -122.44 -82.94 0.65 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.447 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -179.99 -162.46 28.91 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.048 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.516 ' HB2' ' HA ' ' A' ' 500' ' ' MET . 32.6 ptt180 -54.69 -8.24 0.23 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -174.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 512' ' ' MET . 10.4 tp10 -67.4 -2.01 5.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.683 0.278 . . . . 0.0 111.078 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.725 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.3 137.99 10.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.293 0.568 . . . . 0.0 112.333 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 510' ' ' GLU . 23.6 mmt -143.49 -28.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.12 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 14.0 m -123.41 155.28 37.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -171.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.09 164.62 16.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.92 123.68 28.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.24 175.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.3 m -80.07 120.41 24.19 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 167.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 130.85 -57.78 0.72 Allowed Glycine 0 C--N 1.312 -0.786 0 C-N-CA 120.314 -0.946 . . . . 0.0 110.813 -168.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.656 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 9.3 p -135.53 144.33 46.22 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -113.75 35.05 4.24 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.656 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 18.0 ptpt -86.88 -25.77 24.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.429 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 520' ' ' LYS . 20.1 m -128.05 163.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 0.0 111.319 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.51 147.96 52.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.817 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -123.56 -174.63 3.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.567 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 7.6 p -124.8 4.23 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.167 0.508 . . . . 0.0 110.064 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 79.4 p -170.25 162.01 8.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 16.2 m -69.31 -24.46 63.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 109.925 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -63.35 -48.72 76.79 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.79 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 55.6 m -58.67 -35.89 73.29 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.939 0.399 . . . . 0.0 109.95 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -48.45 78.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.649 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -71.59 -30.48 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.081 0.467 . . . . 0.0 111.279 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -71.73 -42.55 67.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.55 -13.47 60.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.789 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.571 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 74.1 t-105 -58.5 -26.11 63.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.407 -173.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.457 ' HA ' HE21 ' A' ' 537' ' ' GLN . 48.8 mttp -68.88 -30.94 69.55 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.119 -0.363 . . . . 0.0 111.266 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 4.7 t0 -94.47 -37.9 11.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.798 1.285 . . . . 0.0 109.043 170.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.64 -33.89 76.66 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.472 -170.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.457 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.3 pt20 -58.68 -36.87 74.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.0 p80 -82.69 -20.01 36.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.233 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 536' ' ' HIS . 1.0 OUTLIER -91.8 -42.16 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.138 0.495 . . . . 0.0 110.59 178.037 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.424 ' N ' HG13 ' A' ' 539' ' ' ILE . 18.7 t -51.48 121.49 6.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.117 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 157.97 -84.29 0.13 Allowed Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.05 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.14 162.24 35.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 50.9 m -153.1 135.35 14.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.351 178.15 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -88.37 129.44 35.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.762 0.315 . . . . 0.0 110.248 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . 0.468 ' HA ' ' HD2' ' A' ' 509' ' ' ARG . 89.4 mtp -85.54 10.5 12.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 -176.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.67 -26.93 20.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.413 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 3.2 pt20 -136.02 160.22 39.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.527 -170.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.1 p -129.12 130.9 47.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.531 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.4 t -60.18 125.51 23.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.27 -17.84 20.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.619 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -98.73 -28.48 13.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.365 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 13.0 m -122.78 -82.92 0.65 Allowed 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.486 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 176.05 -156.46 21.49 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.576 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.468 ' HD2' ' HA ' ' A' ' 500' ' ' MET . 3.6 tpp180 -53.05 -8.7 0.11 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.7 -4.07 8.06 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 122.364 -0.21 . . . . 0.0 111.485 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.712 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -47.67 149.58 1.2 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.8 ttm -162.18 -28.55 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.471 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 37.8 m -118.63 138.31 52.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.585 0.707 . . . . 0.0 110.803 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 514' ' ' GLU . 8.0 pt-20 -108.31 162.07 14.43 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.108 -175.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.459 ' HB2' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -73.35 127.59 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.441 0.639 . . . . 0.0 110.55 174.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 120.5 23.01 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 162.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.45 -57.61 0.72 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.7 p -139.94 145.48 37.98 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -113.06 32.46 5.71 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.618 ' HG3' HG13 ' A' ' 521' ' ' VAL . 12.9 ptmm? -87.72 -25.6 23.36 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.472 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.618 HG13 ' HG3' ' A' ' 520' ' ' LYS . 14.0 m -122.31 159.61 25.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.008 0.432 . . . . 0.0 110.943 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.97 144.87 51.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.332 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 529' ' ' GLN . 34.0 m-85 -125.53 -174.98 3.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.148 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.724 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.2 p -121.89 -9.13 8.83 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.265 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 48.2 t -161.57 162.36 30.13 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.048 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 57.7 m -67.41 -25.16 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.097 0.475 . . . . 0.0 110.193 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.08 -48.94 79.37 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.738 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.7 m -64.4 -35.32 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.352 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.459 ' OE1' ' HB2' ' A' ' 515' ' ' CYS . 36.6 tp60 -60.63 -48.16 83.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.745 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 41.1 ttp-105 -72.12 -31.96 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.465 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -70.18 -42.28 72.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.422 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.4 -11.52 60.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.117 0.484 . . . . 0.0 111.161 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.489 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.2 t-105 -60.04 -26.53 66.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.848 -171.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.447 ' HA ' HE21 ' A' ' 537' ' ' GLN . 54.6 mtpt -68.4 -31.7 71.23 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 122.131 -0.356 . . . . 0.0 110.738 -176.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.513 ' O ' HG23 ' A' ' 539' ' ' ILE . 37.0 m-20 -94.39 -35.2 12.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.803 0.811 . . . . 0.0 110.09 171.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 55.1 t60 -67.41 -34.4 77.17 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.684 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.447 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.4 pt20 -60.23 -34.75 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.997 -175.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.7 p80 -81.54 -22.11 38.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.334 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.9 OUTLIER -90.24 -44.79 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.628 178.648 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.442 ' N ' HG13 ' A' ' 539' ' ' ILE . 8.0 t -53.14 122.23 9.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.362 -177.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 125.69 8.49 5.24 Favored Glycine 0 C--N 1.319 -0.395 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.499 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 63.89 -149.79 0.31 Allowed 'General case' 0 C--O 1.233 0.234 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.7 m -118.18 -60.28 1.81 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.054 0.454 . . . . 0.0 110.462 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.245 -177.056 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -130.18 19.69 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -148.38 11.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.119 0.485 . . . . 0.0 109.799 175.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -75.87 -32.47 59.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.554 0.692 . . . . 0.0 110.091 -175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.423 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 9.1 pt20 -136.3 158.69 43.82 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.186 176.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 7.9 p -127.85 126.3 41.36 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.692 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 41.9 t -60.27 122.75 15.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.42 -16.04 15.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.741 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -100.85 -26.75 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.5 m -122.94 -80.89 0.63 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 173.31 -153.86 18.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.533 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -51.25 -13.35 0.18 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.59 -1.69 9.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.739 0.305 . . . . 0.0 111.802 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.692 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.86 139.56 9.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 112.586 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.474 ' H ' ' HA ' ' A' ' 524' ' ' CYS . 64.7 mtt -149.38 -27.66 0.27 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.959 -177.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.9 t -122.28 155.04 36.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.118 0.485 . . . . 0.0 110.226 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -123.91 163.87 20.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -172.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.618 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.63 126.69 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.567 0.699 . . . . 0.0 110.579 173.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 1.8 t -77.58 120.02 21.95 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.782 164.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.18 -51.89 0.84 Allowed Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.562 ' HB2' ' NZ ' ' A' ' 520' ' ' LYS . 9.1 p -145.36 145.61 31.25 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.892 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -113.65 29.98 7.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.281 0.563 . . . . 0.0 109.586 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.562 ' NZ ' ' HB2' ' A' ' 518' ' ' CYS . 4.8 ptpp? -87.02 -21.09 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.738 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.517 HG13 ' HG3' ' A' ' 520' ' ' LYS . 27.2 m -125.83 158.35 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.15 146.51 52.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.541 0.686 . . . . 0.0 111.568 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.6 -173.69 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.11 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.4 p -120.86 -14.36 8.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.183 0.516 . . . . 0.0 109.895 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 40.2 t -157.12 160.77 39.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 56.9 m -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.063 0.459 . . . . 0.0 110.219 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.88 -49.14 78.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.615 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 8.0 m -64.4 -35.12 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.165 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.618 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.57 -48.95 79.21 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.035 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -73.15 -30.98 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.32 -41.78 89.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.114 0.483 . . . . 0.0 109.827 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -78.72 -11.7 59.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.427 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.438 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -58.59 -29.27 66.31 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -172.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.62 -42.83 79.46 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 122.346 0.258 . . . . 0.0 110.896 177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 539' ' ' ILE . 24.0 t70 -92.25 -36.56 13.17 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.204 1.002 . . . . 0.0 109.812 176.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 69.9 t60 -68.01 -33.02 73.82 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.205 -170.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -58.44 -38.54 77.7 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.794 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 19.4 p80 -80.03 -22.7 42.1 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.398 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.7 OUTLIER -88.32 -43.82 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.236 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.505 ' N ' HG13 ' A' ' 539' ' ' ILE . 7.6 t -53.96 120.83 6.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 123.4 -6.51 9.21 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.355 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -79.14 150.27 31.78 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 66.6 m 62.14 43.64 8.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.417 0.627 . . . . 0.0 110.767 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.568 178.061 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -149.83 -73.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 22.8 ptp -78.2 10.72 2.77 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.605 -174.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -82.73 -12.33 57.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.473 0.654 . . . . 0.0 109.534 174.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 8.6 pt20 -134.39 165.14 25.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.38 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 509' ' ' ARG . 55.5 p -129.08 123.77 33.1 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.368 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.724 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 49.3 t -60.55 122.59 15.05 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.3 -15.86 18.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.745 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -97.04 -33.56 11.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.242 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.96 -81.92 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.799 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.436 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -174.2 -166.76 32.77 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.04 -1.076 . . . . 0.0 113.552 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.579 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.8 mpt_? -56.0 -8.15 0.41 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.26 0.58 3.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.735 0.302 . . . . 0.0 111.438 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.724 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -46.87 155.19 0.28 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.727 0.775 . . . . 0.0 113.075 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.9 ttt -159.05 -24.54 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.026 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.5 t -121.82 154.98 36.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.29 0.567 . . . . 0.0 110.943 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -123.09 158.43 30.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.695 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.517 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.3 OUTLIER -75.92 128.15 34.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.335 0.588 . . . . 0.0 110.861 178.416 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 m -78.39 120.32 22.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 164.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 128.64 -52.5 0.83 Allowed Glycine 0 CA--C 1.5 -0.899 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 13.1 p -144.55 144.03 31.11 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -109.67 30.83 6.3 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.549 ' HG3' HG13 ' A' ' 521' ' ' VAL . 11.1 ptmm? -86.43 -24.4 25.7 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.114 -176.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.549 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.9 m -124.44 160.32 29.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.83 0.348 . . . . 0.0 110.122 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.44 148.24 51.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.841 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -126.7 -173.8 2.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.776 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 10.0 p -126.66 0.84 6.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.543 . . . . 0.0 110.135 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 37.3 t -167.25 161.08 14.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 17.8 m -64.92 -28.69 69.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.462 . . . . 0.0 110.136 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -61.13 -48.51 81.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.747 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.517 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.5 tp60 -58.08 -48.63 79.58 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.14 177.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -73.25 -34.01 65.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.336 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -62.3 -42.34 99.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.873 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.32 -12.2 59.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.39 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 72.4 t-105 -60.32 -26.53 66.62 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.43 ' HA ' HE21 ' A' ' 537' ' ' GLN . 61.8 mttp -68.49 -31.81 71.34 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.038 -0.414 . . . . 0.0 110.539 -176.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 539' ' ' ILE . 39.0 t70 -93.11 -38.1 11.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.592 1.186 . . . . 0.0 109.718 170.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 70.8 t60 -66.55 -33.81 76.5 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.372 -1.285 . . . . 0.0 111.012 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.5 pt20 -59.09 -34.36 71.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 18.0 p80 -83.55 -25.43 30.98 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.31 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.8 OUTLIER -86.28 -44.17 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.084 0.469 . . . . 0.0 110.472 179.463 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.44 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.9 t -52.14 122.87 9.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.865 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 119.28 -10.87 11.59 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.245 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -75.95 -17.35 59.77 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 117.465 0.633 . . . . 0.0 110.856 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 21.1 m -114.41 23.94 12.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.103 0.477 . . . . 0.0 110.331 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.166 179.629 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . 54.53 27.54 8.55 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.196 0.598 . . . . 0.0 112.486 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 14.1 tpt -174.6 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.494 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.07 -39.56 86.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.027 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.451 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 6.8 pt20 -135.4 152.54 51.51 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -173.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.4 m -116.81 123.01 46.05 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.857 0.36 . . . . 0.0 111.512 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.736 ' N ' ' HB2' ' A' ' 511' ' ' ALA . 42.2 t -59.85 124.98 21.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 175.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.53 -12.34 10.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -104.12 -24.13 13.21 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.126 175.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 504' ' ' CYS . 39.6 m -121.82 -84.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.107 -0.37 . . . . 0.0 111.93 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 172.62 -154.24 20.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.017 -176.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -52.51 -9.48 0.11 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -175.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.07 -4.17 19.86 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.736 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -52.93 146.56 10.67 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.3 ttt -145.52 -28.6 0.44 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.46 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 23.0 t -122.3 155.87 35.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.065 0.46 . . . . 0.0 110.633 -167.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -118.01 163.4 16.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.569 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.5 OUTLIER -80.67 127.54 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.595 176.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 4.3 m -79.72 120.72 24.41 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 164.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 132.21 -49.24 0.93 Allowed Glycine 0 C--N 1.313 -0.713 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -170.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 16.7 p -145.01 143.98 30.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -108.58 37.59 2.47 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.321 0.582 . . . . 0.0 109.47 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.626 ' HG3' HG13 ' A' ' 521' ' ' VAL . 12.5 ptmm? -99.17 -24.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.801 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.626 HG13 ' HG3' ' A' ' 520' ' ' LYS . 18.1 m -121.79 162.05 21.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.933 0.397 . . . . 0.0 110.815 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.85 149.94 52.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.155 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -125.05 -174.2 2.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.645 -1.161 . . . . 0.0 108.555 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.9 p -117.1 -32.75 4.93 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 13.0 m -138.99 165.27 27.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.239 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.2 m -69.14 -25.37 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.084 0.469 . . . . 0.0 110.501 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -60.23 -47.69 84.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.109 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.521 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 27.1 m -63.97 -35.74 81.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.569 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 2.0 tp60 -59.78 -48.32 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.898 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -73.1 -35.21 66.55 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.313 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.572 ' HD3' ' N ' ' A' ' 532' ' ' ASP . 0.0 OUTLIER -72.98 -37.49 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.108 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . 0.572 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 29.7 t70 -70.53 -14.89 62.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 59.5 t-105 -58.69 -26.41 63.83 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.489 -173.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.439 ' HA ' HE21 ' A' ' 537' ' ' GLN . 98.5 mttt -66.54 -33.91 76.73 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 122.255 -0.278 . . . . 0.0 111.171 -176.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 539' ' ' ILE . 31.5 t70 -94.18 -37.55 11.51 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.676 1.226 . . . . 0.0 109.517 170.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.554 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 72.6 t60 -66.22 -33.14 75.09 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.271 -169.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.439 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.3 pt20 -58.7 -36.92 75.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 22.8 p80 -80.15 -23.86 40.8 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.934 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 535' ' ' ASP . 0.6 OUTLIER -88.07 -44.81 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 110.062 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.5 t -51.67 122.44 8.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.245 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 149.27 -28.58 1.22 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.748 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -86.87 86.3 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.552 -0.324 . . . . 0.0 110.38 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 46.9 m -99.05 -55.18 2.78 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.161 -179.647 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -82.08 125.4 30.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.713 0.292 . . . . 0.0 110.271 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 509' ' ' ARG . 64.1 mtt -132.36 15.46 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -178.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' A' ' 502' ' ' GLN . 6.7 pt-20 -70.42 -47.61 59.94 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.736 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.448 HE21 ' HB3' ' A' ' 502' ' ' GLN . 0.0 OUTLIER -61.38 150.58 34.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.109 0.48 . . . . 0.0 110.361 173.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.6 m -129.39 136.72 50.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.668 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 43.0 t -61.07 123.43 17.62 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.62 -15.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.983 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -103.16 -25.19 13.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.622 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 33.7 m -122.58 -76.25 0.59 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 167.37 -153.5 23.04 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.915 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 500' ' ' MET . 44.6 ttt180 -52.0 -12.07 0.2 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.13 -3.17 3.44 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 122.111 -0.368 . . . . 0.0 111.878 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.636 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -48.08 141.35 6.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.7 tpt -147.11 -23.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.22 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.0 m -124.32 154.64 39.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.178 0.513 . . . . 0.0 111.187 -175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -114.61 163.02 16.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.504 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.506 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 0.1 OUTLIER -75.03 124.78 27.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.53 0.681 . . . . 0.0 110.141 175.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.3 m -79.92 119.83 23.3 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 164.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 131.46 -55.84 0.75 Allowed Glycine 0 C--N 1.313 -0.736 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -168.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.638 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 16.7 p -142.13 142.4 32.75 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 168.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -105.48 30.55 5.6 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.186 0.517 . . . . 0.0 109.771 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.638 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 8.6 ptpp? -88.65 -29.77 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.256 -177.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 520' ' ' LYS . 29.6 m -122.87 158.8 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.054 0.454 . . . . 0.0 110.159 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.59 148.62 52.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.434 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -125.61 -175.47 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.287 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.668 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 14.4 p -115.22 -18.88 11.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.232 0.539 . . . . 0.0 109.939 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 163.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.885 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 2.5 m -65.14 -24.85 67.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 0.0 110.982 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -61.53 -49.23 77.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.74 ' HA ' ' HG3' ' A' ' 531' ' ' LYS . 63.6 m -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.577 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.506 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 3.3 tp60 -58.01 -47.21 83.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.656 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.74 -37.14 65.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.252 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.74 ' HG3' ' HA ' ' A' ' 528' ' ' CYS . 0.0 OUTLIER -69.74 -36.87 76.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.05 -177.506 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . 0.6 ' N ' ' HD3' ' A' ' 531' ' ' LYS . 34.1 t70 -71.79 -13.58 61.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.955 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.558 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 63.9 t-105 -58.48 -27.08 64.1 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.279 -173.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.417 ' HA ' HE21 ' A' ' 537' ' ' GLN . 29.0 mmmt -59.62 -39.15 83.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.199 -0.313 . . . . 0.0 111.319 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.456 ' O ' ' CD2' ' A' ' 538' ' ' HIS . 5.2 t70 -93.48 -38.75 11.25 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.561 1.172 . . . . 0.0 109.124 173.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 49.7 t60 -64.96 -32.72 74.58 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.283 -170.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.417 HE21 ' HA ' ' A' ' 534' ' ' LYS . 10.1 pt20 -63.97 -31.1 72.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 15.3 p80 -83.23 -20.77 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.08 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 536' ' ' HIS . 1.0 OUTLIER -92.79 -46.33 14.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.308 178.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 8.8 t -52.0 123.45 10.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.972 0.891 . . . . 0.0 112.072 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 156.71 -82.06 0.16 Allowed Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.832 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.438 ' H ' ' HG2' ' A' ' 542' ' ' GLN . 6.5 pt20 -89.82 85.62 6.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.515 0.674 . . . . 0.0 111.63 -172.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.8 m -81.29 -60.36 2.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.868 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.543 178.339 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -106.8 160.41 15.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' MET . . . . . 0.825 ' HA ' ' HB2' ' A' ' 509' ' ' ARG . 23.2 ptp -158.19 20.76 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.072 175.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.36 -26.93 16.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.978 0.894 . . . . 0.0 109.784 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.56 ' HG3' ' HB3' ' A' ' 511' ' ' ALA . 3.7 pt20 -145.6 145.64 31.06 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.063 -172.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 62.2 m -112.14 129.45 56.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.069 0.461 . . . . 0.0 111.801 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 48.3 t -59.11 127.99 34.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -26.98 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.944 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -92.33 -34.65 14.12 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.457 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 12.0 m -121.79 -80.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.473 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . 179.22 -160.86 26.6 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.787 -174.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.825 ' HB2' ' HA ' ' A' ' 500' ' ' MET . 7.3 ptp180 -51.9 -11.11 0.14 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -173.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.96 -1.63 4.29 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.617 ' HB2' ' N ' ' A' ' 504' ' ' CYS . . . -52.1 122.5 8.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.719 0.771 . . . . 0.0 112.096 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -136.37 -11.33 1.89 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.153 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 t -124.5 156.41 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.558 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.96 156.78 34.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.821 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.515 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 1.2 t -71.47 125.36 26.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.354 0.597 . . . . 0.0 109.862 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 23.5 m -78.36 120.9 23.77 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 167.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 129.76 -51.16 0.87 Allowed Glycine 0 C--N 1.31 -0.89 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -170.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.407 ' SG ' ' HG2' ' A' ' 520' ' ' LYS . 14.0 p -138.58 143.78 39.52 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 171.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -106.9 25.36 11.41 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.076 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.407 ' HG2' ' SG ' ' A' ' 518' ' ' CYS . 0.1 OUTLIER -86.17 -28.47 23.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.399 -177.277 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.56 160.93 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.25 149.31 52.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.964 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.79 -177.02 3.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.728 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.1 p -122.56 -1.13 9.08 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.724 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 35.3 t -174.17 161.3 3.53 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.15 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.3 m -67.17 -24.24 65.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.025 0.441 . . . . 0.0 110.515 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.56 -48.68 80.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.48 -36.6 83.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.515 ' OE1' ' HA ' ' A' ' 515' ' ' CYS . 1.6 tp60 -58.77 -48.61 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.197 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -73.23 -31.33 64.07 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.179 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -70.18 -43.89 69.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.113 0.483 . . . . 0.0 110.812 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.47 -10.79 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.167 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.532 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 71.0 t-105 -57.97 -27.02 63.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.66 -175.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -56.82 -42.14 79.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 539' ' ' ILE . 23.5 t70 -92.96 -36.86 12.53 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 122.327 1.06 . . . . 0.0 109.47 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 64.9 t60 -65.86 -32.44 73.96 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.315 -169.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -60.81 -37.33 81.62 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.846 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 535' ' ' ASP . 21.5 p80 -79.61 -19.96 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.198 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.669 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 0.8 OUTLIER -92.75 -44.93 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.193 178.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . 0.458 ' N ' HG13 ' A' ' 539' ' ' ILE . 11.6 t -51.62 123.19 9.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.717 0.77 . . . . 0.0 111.675 -175.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 115.57 -0.17 21.82 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.843 -1.071 . . . . 0.0 113.101 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 539' ' ' ILE . 28.7 mm-40 -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.069 0.435 . . . . 0.0 111.278 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.6 m -113.56 124.7 52.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.706 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.116 177.342 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_