data_1bv8_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 1bv8 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 1.626 ' HA ' ' CB ' ' A' ' 1' ' ' GLU . . . . . . . . 2 C--O 0.354 -46.046 1 CA-C-O 89.284 -14.674 . . . . 6.04 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 1.552 ' HA ' ' CG ' ' A' ' 2' ' ' GLU 0.995 3.4 tt0 -119.25 144.91 46.5 Favored 'General case' 4 C--O 0.194 -54.461 4 CA-C-O 48.455 -34.117 . . . . 6.08 148.97 179.991 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 1.53 ' H ' ' CA ' ' A' ' 3' ' ' PHE 0.816 5.1 m-30 176.82 109.38 0.12 Allowed Pre-proline 4 C--O 0.834 -20.764 4 CA-C-N 171.168 24.531 . . . . 7.48 134.483 -179.832 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.515 ' O ' ' O ' ' A' ' 3' ' ' PHE 0.624 36.8 Cg_endo -66.28 -105.39 0.0 OUTLIER 'Trans proline' 2 N--CA 0.946 -30.723 1 N-CA-C 124.853 4.905 . . . . 2.22 124.853 -179.979 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 1.254 ' HD1' ' CE2' ' A' ' 5' ' ' PHE . 1.5 p90 -134.11 162.36 32.33 Favored 'General case' 0 N--CA 1.409 -2.513 0 O-C-N 124.775 1.297 . . . . 3.15 111.777 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.977 ' HB1' ' CA ' ' A' ' 6' ' ' ALA . . . -151.47 147.66 27.12 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.404 1.065 . . . . 1.21 109.482 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.588 HD21 ' CG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -131.72 152.2 51.08 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 124.457 1.098 . . . . 2.08 109.391 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.67 114.51 1.1 Allowed Glycine 0 C--O 1.217 -0.945 0 O-C-N 124.191 0.932 . . . . 0.64 111.408 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 1.687 HG21 ' CB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -140.43 118.48 10.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 109.373 -0.603 . . . . 1.86 109.373 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 1.506 ' NE2' ' CG ' ' A' ' 10' ' ' GLN . 35.2 mt-30 -146.81 -176.99 5.42 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.304 1.002 . . . . 2.12 110.533 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 1.011 HG21 ' CB ' ' A' ' 11' ' ' THR . 32.6 p -142.85 171.74 13.65 Favored 'General case' 0 C--O 1.194 -1.839 0 O-C-N 124.235 0.959 . . . . 1.17 110.576 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 1.516 ' CD2' ' CB ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -136.65 75.6 49.93 Favored Pre-proline 0 C--N 1.297 -1.716 0 N-CA-C 109.45 -0.574 . . . . 2.38 109.45 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.59 ' O ' ' N ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -74.95 -11.31 21.57 Favored 'Trans proline' 1 C--O 0.986 -12.098 0 CA-C-O 128.15 3.313 . . . . 1.25 111.198 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 1.503 ' HG3' ' CD ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 67.24 -42.36 0.43 Allowed 'General case' 2 C--N 1.044 -12.686 1 O-C-N 109.23 -8.419 . . . . 3.32 110.725 179.966 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 1.46 HG21 ' CB ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 175.12 138.98 0.05 OUTLIER 'General case' 3 C--O 0.917 -16.445 0 O-C-N 117.141 -3.474 . . . . 3.03 114.976 -179.991 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.343 ' SG ' ' SG ' ' A' ' 131' ' ' CYS . 0.5 OUTLIER -103.44 79.23 1.68 Allowed 'General case' 2 C--N 1.022 -13.664 1 O-C-N 111.515 -6.99 . . . . 1.98 108.553 179.936 -108.193 -158.541 -173.443 152.663 1.354 143.606 -168.501 -139.675 5 4 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -173.37 -5.28 0.01 OUTLIER 'General case' 2 C--O 1.046 -9.611 0 CA-C-N 115.132 -0.94 . . . . 2.36 109.11 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.49 162.03 36.34 Favored Pre-proline 1 C--N 1.174 -7.04 0 O-C-N 117.122 -3.486 . . . . 2.96 111.418 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 21' ' ' ALA . 18.6 Cg_endo -75.86 -44.84 0.26 Allowed 'Trans proline' 0 N--CA 1.419 -2.867 0 C-N-CA 121.87 1.714 . . . . 2.31 112.719 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 1.65 ' HG3' ' CB ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -55.08 -24.07 23.61 Favored 'General case' 0 C--N 1.267 -2.983 0 N-CA-C 108.404 -0.961 . . . . 3.12 108.404 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.994 ' HB1' ' CA ' ' A' ' 21' ' ' ALA . . . -67.45 -56.75 8.33 Favored 'General case' 0 N--CA 1.406 -2.628 0 O-C-N 125.227 1.58 . . . . 1.56 108.829 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -38.93 86.61 Favored 'General case' 0 N--CA 1.399 -3.016 0 CA-C-N 114.591 -1.186 . . . . 3.2 110.501 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 1.003 HG22 ' CB ' ' A' ' 23' ' ' THR . 29.3 m -50.29 -51.78 42.13 Favored 'General case' 0 C--N 1.261 -3.278 0 CA-C-N 115.969 -0.559 . . . . 1.87 111.019 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.6 p -137.22 145.19 43.33 Favored 'General case' 0 N--CA 1.417 -2.09 0 O-C-N 124.738 1.274 . . . . 1.4 111.048 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -135.9 172.43 13.02 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 124.83 1.331 . . . . 3.2 112.045 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.23 148.34 52.45 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 124.569 1.168 . . . . 2.1 110.609 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 1.052 HD12 ' CG1' ' A' ' 27' ' ' ILE . 2.9 mt -128.62 152.84 37.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 124.506 1.129 . . . . 1.2 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 1.559 ' HG ' ' CB ' ' A' ' 28' ' ' SER . 40.2 t -132.07 134.88 46.01 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.326 1.016 . . . . 1.49 110.141 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 1.571 HD12 ' CD2' ' A' ' 29' ' ' LEU . 1.1 mm? -130.95 143.61 50.85 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 124.462 1.102 . . . . 2.2 109.406 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 92' ' ' SER . 8.8 t -150.85 146.22 26.2 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 124.14 0.9 . . . . 1.36 110.397 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.618 HG13 ' CG2' ' A' ' 31' ' ' VAL . 9.2 p -130.76 133.13 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 O-C-N 124.536 1.148 . . . . 2.05 109.674 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 6' ' ' ALA . 30.2 t -144.17 104.65 4.14 Favored 'General case' 0 C--O 1.19 -2.039 0 O-C-N 124.448 1.093 . . . . 1.33 110.077 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 1.639 ' CZ ' ' CD1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -132.22 144.47 50.66 Favored 'General case' 0 C--O 1.154 -3.952 0 CA-C-N 116.033 -0.53 . . . . 3.43 111.358 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 1.555 HG21 ' CB ' ' A' ' 34' ' ' THR . 34.6 m -136.82 151.25 48.93 Favored 'General case' 1 C--O 0.801 -22.546 1 CA-C-O 130.695 5.045 . . . . 2.56 112.941 -179.982 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.59 -145.75 4.28 Favored Glycine 4 C--O 0.746 -30.39 3 O-C-N 97.523 -15.736 . . . . 2.02 113.594 -179.996 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 1.304 ' HG ' ' CB ' ' A' ' 36' ' ' SER . 6.6 t -137.04 27.81 2.9 Favored 'General case' 4 C--O 0.855 -19.661 3 O-C-N 101.437 -12.802 . . . . 2.92 113.213 -179.995 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 1.559 ' HE ' ' CG ' ' A' ' 37' ' ' ARG 0.503 1.9 ttt85 -108.92 141.63 40.72 Favored 'General case' 4 C--O 0.551 -35.675 3 N-CA-C 123.918 4.784 . . . . 6.65 123.918 179.973 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 1.508 ' HB3' ' CA ' ' A' ' 38' ' ' SER 0.674 0.5 OUTLIER -57.8 3.83 0.02 OUTLIER 'General case' 4 C--O 0.825 -21.247 4 O-C-N 100.6 -13.812 . . . . 4.44 134.538 179.964 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 1.544 ' HA ' ' C ' ' A' ' 39' ' ' ALA 1.163 . . -134.8 155.28 50.9 Favored 'General case' 4 C--O 0.286 -49.606 1 N-CA-C 157.502 17.223 . . . . 4.02 157.502 179.969 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.537 ' H ' ' CA ' ' A' ' 40' ' ' SER 1.248 14.3 m 32.59 123.44 0.0 OUTLIER 'General case' 4 C--O 0.25 -51.526 5 CA-C-O 65.706 -25.902 . . . . 4.75 161.523 180.0 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 1.566 HD21 ' CB ' ' A' ' 41' ' ' ASN 1.158 49.9 p30 -44.9 68.3 0.0 OUTLIER 'General case' 3 C--O 0.446 -41.22 5 CA-C-N 161.811 20.278 . . . . 4.12 155.234 -179.876 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.515 ' HE3' ' SD ' ' A' ' 42' ' ' MET . 0.6 OUTLIER -173.05 160.15 4.11 Favored 'General case' 1 C--N 0.838 -21.672 3 O-C-N 56.303 -41.498 . . . . 2.19 112.966 179.992 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.999 ' HB2' ' CA ' ' A' ' 43' ' ' ALA . . . -133.27 130.82 39.5 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 124.524 1.14 . . . . 1.14 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.417 HG21 ' CB ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -130.91 125.68 58.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 O-C-N 124.278 0.986 . . . . 1.7 109.435 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 1.459 HG12 ' CB ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -137.39 155.46 31.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 O-C-N 124.423 1.077 . . . . 2.11 109.84 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 1.136 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -138.35 136.56 36.49 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 124.182 0.926 . . . . 2.26 109.162 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 1.661 HG21 ' CB ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -130.36 145.09 36.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 O-C-N 124.292 0.995 . . . . 2.09 109.633 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.59 ' HZ2' ' CE ' ' A' ' 48' ' ' LYS . 7.1 tttt -140.11 107.71 5.6 Favored 'General case' 0 C--O 1.174 -2.905 0 O-C-N 124.367 1.042 . . . . 2.39 109.353 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 1.728 ' HE2' ' SD ' ' A' ' 49' ' ' MET . 1.3 ptt? -132.26 165.58 23.83 Favored 'General case' 1 C--O 1.073 -8.203 0 CA-C-O 117.304 -1.331 . . . . 2.18 113.377 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 1.571 HG23 ' CB ' ' A' ' 50' ' ' VAL 0.366 0.1 OUTLIER -2.8 63.69 0.0 OUTLIER 'Isoleucine or valine' 2 C--O 0.962 -14.069 1 CA-C-O 131.279 5.323 . . . . 2.96 120.05 -179.997 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 1.353 ' OG ' ' CA ' ' A' ' 51' ' ' SER 0.256 91.5 p -58.76 62.76 0.0 OUTLIER 'General case' 3 C--N 0.899 -18.993 1 O-C-N 114.349 -5.219 . . . . 2.82 112.59 -179.971 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.914 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . -142.16 32.05 2.02 Favored Glycine 1 C--N 1.066 -14.461 1 O-C-N 111.928 -6.732 . . . . 1.52 112.707 179.991 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.683 ' HD1' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -131.58 -172.5 2.87 Favored 'General case' 0 N--CA 1.431 -1.378 0 O-C-N 124.667 0.863 . . . . 4.66 111.232 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 1.471 HG21 ' CB ' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -133.23 94.82 19.32 Favored Pre-proline 0 C--N 1.304 -1.379 0 O-C-N 124.2 0.938 . . . . 2.71 110.194 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -74.97 176.63 9.65 Favored 'Trans proline' 0 C--O 1.149 -3.945 0 O-C-N 124.651 1.869 . . . . 0.85 111.181 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 1.612 HD21 ' CG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -104.02 127.91 51.59 Favored 'General case' 0 C--N 1.246 -3.894 0 O-C-N 120.902 -1.124 . . . . 2.19 109.474 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 1.589 ' HZ1' ' CE ' ' A' ' 57' ' ' LYS . 6.0 tttt -72.23 -39.2 6.23 Favored Pre-proline 0 C--N 1.313 -0.997 0 O-C-N 124.321 1.013 . . . . 3.6 109.649 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 18.9 Cg_endo -75.23 -38.72 1.38 Allowed 'Trans proline' 0 N--CA 1.435 -1.955 0 O-C-N 124.518 1.799 . . . . 1.09 110.843 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 1.068 HG23 ' CB ' ' A' ' 59' ' ' THR . 1.3 t -47.43 -51.86 18.76 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 115.13 -0.941 . . . . 1.63 111.083 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 1.511 HG11 ' CB ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.0 -34.48 56.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 114.446 -1.252 . . . . 2.42 109.443 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 1.557 ' HZ2' ' CE ' ' A' ' 61' ' ' LYS . 17.6 tttt -57.39 -33.33 67.72 Favored 'General case' 0 N--CA 1.411 -2.421 0 O-C-N 125.544 1.777 . . . . 2.83 109.504 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 1.72 ' HE1' ' SD ' ' A' ' 62' ' ' MET . 2.0 ttp -55.07 -31.01 60.82 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 114.841 -1.072 . . . . 3.09 111.517 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 1.53 HD13 ' CG ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -65.45 -36.02 82.65 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 124.019 0.824 . . . . 1.79 109.449 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -27.64 63.58 Favored 'General case' 0 N--CA 1.414 -2.258 0 O-C-N 124.712 1.257 . . . . 2.61 109.844 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 1.555 ' HE ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -68.41 -15.48 63.57 Favored 'General case' 0 N--CA 1.413 -2.288 0 O-C-N 124.516 1.135 . . . . 4.66 110.398 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 1.577 ' HG ' ' CB ' ' A' ' 66' ' ' SER . 0.4 OUTLIER -51.11 -36.63 41.46 Favored 'General case' 1 C--O 0.511 -37.776 1 CA-C-O 131.784 5.564 . . . . 2.59 111.23 179.974 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 175.45 34.21 0.0 OUTLIER 'General case' 2 C--N 0.912 -18.419 3 O-C-N 76.454 -28.903 . . . . 3.04 111.464 -179.909 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.696 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER 64.43 26.7 13.53 Favored 'General case' 2 C--O 1.011 -11.448 0 C-N-CA 124.653 1.181 . . . . 3.52 109.833 -179.97 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 1.373 HG11 ' CB ' ' A' ' 69' ' ' VAL 0.29 3.8 p -143.85 -175.67 0.68 Allowed 'Isoleucine or valine' 3 C--O 1.069 -8.444 0 O-C-N 116.304 -3.998 . . . . 2.96 115.973 -179.993 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 1.35 ' OG ' ' CA ' ' A' ' 70' ' ' SER 0.296 4.5 t 48.55 96.7 0.01 OUTLIER 'General case' 3 CA--C 1.281 -9.382 0 O-C-N 126.659 2.474 . . . . 2.81 108.107 179.982 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 1.567 ' HG3' ' CB ' ' A' ' 71' ' ' ARG 0.369 0.0 OUTLIER -114.61 138.27 50.86 Favored 'General case' 2 N--CA 1.217 -12.12 0 N-CA-C 120.974 3.694 . . . . 5.13 120.974 -179.975 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.777 HG23 ' CD1' ' A' ' 93' ' ' LEU . 44.0 p -132.3 161.45 33.48 Favored 'General case' 0 C--O 1.197 -1.694 0 O-C-N 124.1 0.875 . . . . 1.48 111.174 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -136.38 151.37 49.48 Favored 'General case' 0 N--CA 1.423 -1.807 0 O-C-N 124.579 1.174 . . . . 2.71 112.571 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.083 HG22 ' CB ' ' A' ' 74' ' ' VAL . 4.2 p -131.59 119.03 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 124.814 1.321 . . . . 1.33 108.94 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 1.277 ' HG ' ' CB ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -96.01 33.01 1.78 Allowed 'General case' 0 N--CA 1.433 -1.308 0 O-C-N 124.257 0.973 . . . . 1.66 110.686 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 1.582 ' HG ' ' CB ' ' A' ' 76' ' ' SER . 0.3 OUTLIER 68.95 -49.61 0.59 Allowed 'General case' 1 C--O 1.012 -11.418 0 CA-C-N 114.297 -1.319 . . . . 2.25 110.329 -179.98 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -90.5 -59.36 2.2 Favored 'General case' 2 C--N 1.168 -7.312 1 O-C-N 115.925 -4.234 . . . . 2.29 110.177 -179.994 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.12 167.7 9.82 Favored 'General case' 1 C--N 1.229 -4.671 0 O-C-N 121.009 -1.057 . . . . 2.05 110.432 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.312 HG22 ' CB ' ' A' ' 79' ' ' VAL . 1.5 t -131.88 150.5 33.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 124.371 1.044 . . . . 1.57 109.437 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 1.415 HD22 ' CG ' ' A' ' 80' ' ' LEU . 1.9 mm? -128.92 154.96 46.03 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.409 1.068 . . . . 1.86 109.455 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 1.021 HD11 ' CG1' ' A' ' 81' ' ' ILE . 5.2 mp -131.65 133.54 61.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 124.476 1.11 . . . . 1.2 109.386 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.382 ' HE2' ' CE1' ' A' ' 82' ' ' TYR . 4.9 t80 -145.62 114.91 7.1 Favored 'General case' 0 C--O 1.208 -1.113 0 O-C-N 124.233 0.958 . . . . 3.36 111.133 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 1.649 ' HB3' ' CD2' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -139.62 156.85 46.61 Favored 'General case' 0 C--O 1.184 -2.37 0 CA-C-N 115.537 -0.756 . . . . 2.72 109.982 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 1.439 ' OD2' ' CB ' ' A' ' 84' ' ' ASP . 36.0 p30 -137.96 116.29 11.91 Favored 'General case' 1 C--O 0.917 -16.418 0 CA-C-O 122.727 1.251 . . . . 2.89 110.495 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 1.461 ' HE3' ' CD ' ' A' ' 85' ' ' LYS . 36.9 tttt 172.47 43.48 0.0 OUTLIER 'General case' 4 C--O 0.383 -44.515 2 CA-C-O 145.472 12.082 . . . . 4.09 113.41 -179.996 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 1.635 ' HA ' ' CG1' ' A' ' 86' ' ' VAL 1.062 92.2 t -93.28 90.38 2.96 Favored 'Isoleucine or valine' 4 C--O 0.286 -49.608 4 O-C-N 53.976 -42.952 . . . . 4.35 153.435 -179.959 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 1.604 ' H ' ' CA ' ' A' ' 87' ' ' SER 0.668 0.3 OUTLIER -124.14 43.69 2.93 Favored 'General case' 4 C--O 0.747 -25.377 5 O-C-N 87.979 -21.7 . . . . 3.87 128.285 179.978 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 1.594 HD21 ' CB ' ' A' ' 88' ' ' ASN 0.671 1.0 OUTLIER 125.47 22.43 0.0 OUTLIER 'General case' 4 C--N 0.752 -25.401 2 O-C-N 104.319 -11.488 . . . . 4.87 131.413 -179.967 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 1.448 ' NE2' ' CG ' ' A' ' 89' ' ' GLN 0.353 2.0 mt-30 -155.08 164.66 38.56 Favored 'General case' 3 C--N 1.008 -14.277 0 N-CA-C 118.399 2.74 . . . . 3.3 118.399 -179.932 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 1.028 HG21 ' CB ' ' A' ' 90' ' ' THR . 10.4 t -78.83 169.24 18.53 Favored 'General case' 1 C--N 1.172 -7.137 0 O-C-N 117.142 -3.474 . . . . 1.25 110.396 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 1.649 HD22 ' CG ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -139.35 159.01 43.15 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.913 -1.04 . . . . 2.44 109.543 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 1.212 ' HG ' ' CB ' ' A' ' 92' ' ' SER . 92.3 p -148.08 164.66 33.17 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 124.097 0.873 . . . . 1.13 110.564 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 1.591 HD21 ' CG ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -149.11 168.73 22.41 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 124.324 1.015 . . . . 2.34 109.847 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 1.503 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -139.45 147.13 40.93 Favored 'General case' 0 C--O 1.19 -2.052 0 O-C-N 124.183 0.927 . . . . 2.46 111.133 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -143.45 176.11 9.42 Favored 'General case' 0 N--CA 1.426 -1.627 0 O-C-N 124.347 1.029 . . . . 3.14 112.943 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 1.048 HG21 ' CB ' ' A' ' 96' ' ' THR . 11.4 t -138.45 150.77 46.8 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 124.409 1.068 . . . . 1.28 110.542 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 1.594 HG23 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.29 154.87 25.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 O-C-N 124.246 0.967 . . . . 2.2 109.734 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.274 HD13 ' CG ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -130.52 164.35 25.05 Favored 'General case' 1 C--O 1.082 -7.733 0 CA-C-O 124.189 1.947 . . . . 1.75 109.532 179.982 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 1.536 HE21 ' CG ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -129.87 148.84 51.78 Favored 'General case' 3 C--O 0.82 -21.543 0 O-C-N 116.391 -3.943 . . . . 3.83 112.191 180.0 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 1.419 ' C ' ' CA ' ' A' ' 101' ' ' VAL . 2.3 t0 -149.47 -63.66 0.22 Allowed 'General case' 4 C--O 0.582 -34.058 4 CA-C-O 168.898 23.237 . . . . 3.3 112.48 179.947 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 1.598 HG22 ' CA ' ' A' ' 101' ' ' VAL 0.37 0.3 OUTLIER -102.57 127.96 29.15 Favored Pre-proline 4 C--N 0.526 -35.209 3 O-C-N 25.141 -60.974 . . . . 3.72 119.976 179.892 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 1.421 ' O ' ' CA ' ' A' ' 102' ' ' PRO 0.569 14.0 Cg_endo -78.54 151.89 25.87 Favored 'Trans proline' 4 C--O 0.759 -23.441 4 C-N-CA 131.235 7.957 . . . . 3.56 127.887 179.947 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 1.62 ' HB ' ' CA ' ' A' ' 103' ' ' VAL 0.552 0.3 OUTLIER -146.42 -179.44 0.82 Allowed 'Isoleucine or valine' 4 C--O 0.563 -35.061 3 CA-C-N 132.181 6.809 . . . . 3.26 123.12 179.972 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 1.557 ' CG ' ' CA ' ' A' ' 104' ' ' ARG 0.44 0.3 OUTLIER -122.62 87.95 2.84 Favored 'General case' 3 C--N 0.925 -17.881 4 O-C-N 99.927 -14.233 . . . . 6.57 124.369 179.994 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . 0.258 0.7 OUTLIER -157.79 118.42 3.46 Favored 'General case' 4 C--O 0.979 -13.149 1 O-C-N 113.304 -5.873 . . . . 3.67 115.584 -179.985 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 1.583 HD21 ' CB ' ' A' ' 106' ' ' LEU 0.338 0.0 OUTLIER -115.01 121.21 42.41 Favored 'General case' 4 C--O 1.026 -10.71 0 N-CA-C 116.933 2.197 . . . . 4.06 116.933 179.998 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 1.637 ' HE3' ' CD ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -160.32 160.94 26.21 Favored Pre-proline 2 N--CA 1.32 -6.958 0 C-N-CA 125.857 1.663 . . . . 3.68 112.665 179.97 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.86 -177.43 3.43 Favored 'Trans proline' 0 N--CA 1.415 -3.128 0 O-C-N 124.148 1.604 . . . . 1.09 111.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 1.017 ' HB2' ' CA ' ' A' ' 109' ' ' ALA . . . -133.64 156.46 47.85 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 124.515 1.134 . . . . 1.36 109.79 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 1.637 HD11 ' CB ' ' A' ' 110' ' ' ILE . 1.5 tp -136.67 157.31 36.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.801 -1.09 . . . . 2.79 109.439 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 1.56 HG12 ' CB ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -144.37 147.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 O-C-N 124.476 1.11 . . . . 1.87 109.436 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 1.573 ' HZ1' ' CE ' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -140.82 148.32 40.39 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.426 1.079 . . . . 2.6 109.445 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 1.506 HG23 ' CG1' ' A' ' 113' ' ' VAL . 0.5 OUTLIER -137.15 132.86 46.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 O-C-N 124.308 1.005 . . . . 2.17 109.512 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 1.571 ' CZ ' ' CD2' ' A' ' 114' ' ' TYR . 9.3 t80 -134.96 170.57 15.69 Favored 'General case' 0 C--O 1.192 -1.958 0 O-C-N 124.414 1.071 . . . . 2.83 110.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 1.394 ' O ' ' CA ' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -140.54 -9.63 1.08 Allowed 'General case' 1 C--O 0.53 -36.764 1 CA-C-O 156.94 17.543 . . . . 3.08 109.996 -179.971 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 1.687 ' HD2' ' CE1' ' A' ' 116' ' ' TYR 0.305 12.8 t80 135.68 142.81 0.0 OUTLIER 'General case' 3 C--O 0.631 -31.448 3 O-C-N 42.122 -50.361 . . . . 4.28 115.404 -179.991 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 1.689 ' HD1' ' CE1' ' A' ' 117' ' ' TYR 1.02 0.6 OUTLIER 61.82 -164.54 0.24 Allowed 'General case' 4 C--O 0.438 -41.641 5 N-CA-C 149.856 14.391 . . . . 6.77 149.856 -179.981 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 1.621 ' HG3' ' CE1' ' A' ' 117' ' ' TYR 1.125 2.3 mm-40 -38.35 -123.82 0.0 OUTLIER 'General case' 4 C--O 0.512 -37.752 5 N-CA-C 152.116 15.228 . . . . 6.02 152.116 179.912 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 1.602 ' HB ' ' CA ' ' A' ' 119' ' ' THR 0.609 53.8 m -77.3 87.5 3.71 Favored 'General case' 4 C--O 0.44 -41.506 4 O-C-N 77.957 -27.965 . . . . 4.63 128.828 -179.925 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 1.462 ' H ' ' CA ' ' A' ' 120' ' ' ASP 0.676 2.5 m-20 88.44 79.74 0.01 OUTLIER 'General case' 4 C--O 0.498 -38.468 5 O-C-N 82.105 -25.372 . . . . 4.55 126.334 -179.927 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 1.416 ' HG2' ' CB ' ' A' ' 121' ' ' GLU 0.593 0.6 OUTLIER -179.45 92.85 0.02 OUTLIER 'General case' 4 C--O 0.815 -21.782 3 CA-C-N 145.749 12.977 . . . . 4.1 124.216 -179.974 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 1.588 ' CZ ' ' CD1' ' A' ' 122' ' ' PHE . 1.1 p90 -171.59 174.83 4.23 Favored 'General case' 2 C--N 0.944 -17.05 3 O-C-N 103.987 -11.695 . . . . 2.74 111.414 179.949 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 1.02 ' HB2' ' CA ' ' A' ' 123' ' ' ALA . . . -129.36 150.35 50.76 Favored 'General case' 0 N--CA 1.433 -1.322 0 O-C-N 124.658 1.224 . . . . 1.28 109.86 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 1.49 HG21 ' CB ' ' A' ' 124' ' ' ILE . 0.1 OUTLIER -140.91 141.76 31.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.104 -0.953 . . . . 2.33 109.382 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 1.009 ' HB1' ' CA ' ' A' ' 125' ' ' ALA . . . -138.67 174.34 10.63 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.389 1.056 . . . . 1.24 109.687 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 1.372 ' OE2' ' CG ' ' A' ' 126' ' ' GLU . 1.7 tt0 -131.51 155.24 47.77 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 124.148 0.905 . . . . 2.62 110.635 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 1.425 ' CZ ' ' CD2' ' A' ' 127' ' ' TYR . 1.2 t80 -143.23 173.86 11.22 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 124.325 1.015 . . . . 2.45 112.026 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 1.155 ' ND2' ' CB ' ' A' ' 128' ' ' ASN . 0.9 OUTLIER -148.5 160.3 43.21 Favored 'General case' 1 C--O 1.125 -5.465 0 O-C-N 124.602 1.189 . . . . 1.85 109.463 -179.994 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 1.218 ' HB3' ' CA ' ' A' ' 129' ' ' ALA . . . -62.76 115.22 15.47 Favored Pre-proline 3 C--O 0.888 -17.943 0 O-C-N 119.854 -1.779 . . . . 1.51 112.0 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 128' ' ' ASN 0.48 18.4 Cg_endo -77.31 66.55 7.85 Favored 'Trans proline' 4 C--O 0.886 -17.113 4 CA-C-O 138.764 7.735 . . . . 3.25 127.141 -179.992 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 1.343 ' SG ' ' SG ' ' A' ' 16' ' ' CYS 0.256 0.5 OUTLIER 119.14 39.81 0.0 OUTLIER 'General case' 4 C--O 0.306 -48.563 1 O-C-N 100.641 -13.787 . . . . 2.06 106.789 179.967 -139.675 -168.501 -173.443 143.606 1.354 152.663 -158.541 -108.193 6 4 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 1.504 ' HB3' ' CA ' ' A' ' 132' ' ' SER 0.425 0.1 OUTLIER -60.74 116.18 4.22 Favored 'General case' 4 C--O 0.668 -29.551 4 O-C-N 72.584 -31.323 . . . . 2.74 122.729 179.901 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 1.653 ' HE3' ' CG ' ' A' ' 133' ' ' LYS 0.649 4.1 tttt -177.36 138.87 0.24 Allowed 'General case' 4 C--O 0.648 -30.57 5 CA-C-N 137.026 9.012 . . . . 5.67 130.608 179.967 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 1.38 ' HA ' ' C ' ' A' ' 134' ' ' ASP 1.155 47.4 t0 -128.67 95.8 4.21 Favored 'General case' 4 C--O 0.354 -46.063 3 N-CA-C 157.188 17.107 . . . . 4.82 157.188 -179.998 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 1.634 ' H ' ' CA ' ' A' ' 135' ' ' LEU 1.133 4.7 tt -131.49 62.73 1.62 Allowed 'General case' 4 C--O 0.605 -32.858 5 O-C-N 82.293 -25.254 . . . . 5.54 152.084 179.941 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 1.442 ' C ' ' H ' ' A' ' 137' ' ' ASN . . . -84.38 -94.54 0.69 Allowed Glycine 4 C--O 0.286 -59.136 5 CA-C-O 48.283 -40.176 . . . . 3.61 173.454 -179.981 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 1.583 HD22 ' C ' ' A' ' 138' ' ' ALA 1.496 0.0 OUTLIER 163.84 111.6 0.0 OUTLIER 'General case' 4 C--O 0.158 -56.385 5 CA-C-N 166.751 25.276 . . . . 5.09 168.756 179.924 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 1.583 ' C ' HD22 ' A' ' 137' ' ' ASN 1.318 . . . . . . . 4 N--CA 0.759 -34.979 4 CA-C-N 165.421 21.918 . . . . 6.66 164.335 -179.798 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 1.59 ' CG ' ' CA ' ' A' ' 1' ' ' GLU . . . . . . . . 2 C--O 0.354 -46.046 1 CA-C-O 89.284 -14.674 . . . . 6.04 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.995 3.4 tt0 -119.25 144.91 46.5 Favored 'General case' 4 C--O 0.194 -54.461 4 CA-C-O 48.455 -34.117 . . . . 5.7599999999999998 148.97 179.991 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 4' ' ' PRO 0.816 5.1 m-30 176.82 109.38 0.12 Allowed Pre-proline 4 C--O 0.834 -20.764 4 CA-C-N 171.168 24.531 . . . . 6.6600000000000001 134.483 -179.832 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.515 ' O ' ' O ' ' A' ' 3' ' ' PHE 0.624 36.8 Cg_endo -66.28 -105.39 0.0 OUTLIER 'Trans proline' 2 N--CA 0.946 -30.723 1 N-CA-C 124.853 4.905 . . . . 1.9299999999999999 124.853 -179.979 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.704 ' CE2' ' O ' ' A' ' 122' ' ' PHE . 1.5 p90 -134.11 162.36 32.33 Favored 'General case' 0 N--CA 1.409 -2.513 0 O-C-N 124.775 1.297 . . . . 2.2400000000000002 111.777 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 32' ' ' SER . . . -151.47 147.66 27.12 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.404 1.065 . . . . 0.58999999999999997 109.482 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.883 ' HB2' HG21 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -131.72 152.2 51.08 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 124.457 1.098 . . . . 1.5 109.391 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.67 114.51 1.1 Allowed Glycine 0 C--O 1.217 -0.945 0 O-C-N 124.191 0.932 . . . . 0.56000000000000005 111.408 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.166 ' CG2' ' CA ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -140.43 118.48 10.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 109.373 -0.603 . . . . 1.21 109.373 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 1.506 ' NE2' ' CG ' ' A' ' 10' ' ' GLN . 35.2 mt-30 -146.81 -176.99 5.42 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.304 1.002 . . . . 1.77 110.533 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.682 HG23 ' OH ' ' A' ' 127' ' ' TYR . 32.6 p -142.85 171.74 13.65 Favored 'General case' 0 C--O 1.194 -1.839 0 O-C-N 124.235 0.959 . . . . 0.72999999999999998 110.576 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.516 ' CD2' ' CB ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -136.65 75.6 49.93 Favored Pre-proline 0 C--N 1.297 -1.716 0 N-CA-C 109.45 -0.574 . . . . 1.78 109.45 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.598 ' O ' ' N ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -74.95 -11.31 21.57 Favored 'Trans proline' 1 C--O 0.986 -12.098 0 CA-C-O 128.15 3.313 . . . . 1.25 111.198 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 1.486 ' NE2' ' CG ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 67.24 -42.36 0.43 Allowed 'General case' 2 C--N 1.044 -12.686 1 O-C-N 109.23 -8.419 . . . . 2.9700000000000002 110.725 179.966 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.885 ' HB ' ' O ' ' A' ' 14' ' ' GLN . 0.6 OUTLIER 175.12 138.98 0.05 OUTLIER 'General case' 3 C--O 0.917 -16.445 0 O-C-N 117.141 -3.474 . . . . 2.4900000000000002 114.976 -179.991 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.343 ' SG ' ' SG ' ' A' ' 131' ' ' CYS . 0.5 OUTLIER -103.44 79.23 1.68 Allowed 'General case' 2 C--N 1.022 -13.664 1 O-C-N 111.515 -6.99 . . . . 1.78 108.553 179.936 -108.193 -158.541 -173.443 152.663 1.354 143.606 -168.501 -139.675 5 4 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 1.14 ' OD2' ' CB ' ' A' ' 17' ' ' ASP . 4.0 t0 -173.37 -5.28 0.01 OUTLIER 'General case' 2 C--O 1.046 -9.611 0 CA-C-N 115.132 -0.94 . . . . 2.1600000000000001 109.11 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 1.408 ' OE2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -120.49 162.03 36.34 Favored Pre-proline 1 C--N 1.174 -7.04 0 O-C-N 117.122 -3.486 . . . . 2.48 111.418 179.99 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 21' ' ' ALA . 18.6 Cg_endo -75.86 -44.84 0.26 Allowed 'Trans proline' 0 N--CA 1.419 -2.867 0 C-N-CA 121.87 1.714 . . . . 2.0899999999999999 112.719 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 1.183 ' NZ ' ' CD ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -55.08 -24.07 23.61 Favored 'General case' 0 C--N 1.267 -2.983 0 N-CA-C 108.404 -0.961 . . . . 2.7799999999999998 108.404 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' PRO . . . -67.45 -56.75 8.33 Favored 'General case' 0 N--CA 1.406 -2.628 0 O-C-N 125.227 1.58 . . . . 1.0800000000000001 108.829 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -38.93 86.61 Favored 'General case' 0 N--CA 1.399 -3.016 0 CA-C-N 114.591 -1.186 . . . . 2.9399999999999999 110.501 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 m -50.29 -51.78 42.13 Favored 'General case' 0 C--N 1.261 -3.278 0 CA-C-N 115.969 -0.559 . . . . 1.3500000000000001 111.019 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.6 p -137.22 145.19 43.33 Favored 'General case' 0 N--CA 1.417 -2.09 0 O-C-N 124.738 1.274 . . . . 0.98999999999999999 111.048 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.9 172.43 13.02 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 124.83 1.331 . . . . 2.3700000000000001 112.045 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' C ' HG13 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -132.23 148.34 52.45 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 124.569 1.168 . . . . 1.6799999999999999 110.609 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.587 HD11 HG22 ' A' ' 97' ' ' VAL . 2.9 mt -128.62 152.84 37.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 124.506 1.129 . . . . 0.58999999999999997 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.2 t -132.07 134.88 46.01 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.326 1.016 . . . . 0.92000000000000004 110.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.421 ' CD2' ' CB ' ' A' ' 29' ' ' LEU . 1.1 mm? -130.95 143.61 50.85 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 124.462 1.102 . . . . 1.54 109.406 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 92' ' ' SER . 8.8 t -150.85 146.22 26.2 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 124.14 0.9 . . . . 0.96999999999999997 110.397 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.266 ' CG2' ' CA ' ' A' ' 31' ' ' VAL . 9.2 p -130.76 133.13 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 O-C-N 124.536 1.148 . . . . 1.46 109.674 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 6' ' ' ALA . 30.2 t -144.17 104.65 4.14 Favored 'General case' 0 C--O 1.19 -2.039 0 O-C-N 124.448 1.093 . . . . 0.98999999999999999 110.077 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 1.639 ' CZ ' ' CD1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -132.22 144.47 50.66 Favored 'General case' 0 C--O 1.154 -3.952 0 CA-C-N 116.033 -0.53 . . . . 3.1400000000000001 111.358 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 1.265 ' CG2' ' CA ' ' A' ' 34' ' ' THR . 34.6 m -136.82 151.25 48.93 Favored 'General case' 1 C--O 0.801 -22.546 1 CA-C-O 130.695 5.045 . . . . 2.0099999999999998 112.941 -179.982 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.59 -145.75 4.28 Favored Glycine 4 C--O 0.746 -30.39 3 O-C-N 97.523 -15.736 . . . . 2.02 113.594 -179.996 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 1.263 ' OG ' ' CA ' ' A' ' 36' ' ' SER . 6.6 t -137.04 27.81 2.9 Favored 'General case' 4 C--O 0.855 -19.661 3 O-C-N 101.437 -12.802 . . . . 2.7200000000000002 113.213 -179.995 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 37' ' ' ARG 0.503 1.9 ttt85 -108.92 141.63 40.72 Favored 'General case' 4 C--O 0.551 -35.675 3 N-CA-C 123.918 4.784 . . . . 6.0700000000000003 123.918 179.973 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . 0.674 0.5 OUTLIER -57.8 3.83 0.02 OUTLIER 'General case' 4 C--O 0.825 -21.247 4 O-C-N 100.6 -13.812 . . . . 4.3499999999999996 134.538 179.964 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 1.163 . . -134.8 155.28 50.9 Favored 'General case' 4 C--O 0.286 -49.606 1 N-CA-C 157.502 17.223 . . . . 3.6200000000000001 157.502 179.969 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . 1.248 14.3 m 32.59 123.44 0.0 OUTLIER 'General case' 4 C--O 0.25 -51.526 5 CA-C-O 65.706 -25.902 . . . . 4.5599999999999996 161.523 180.0 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 1.271 ' O ' ' CA ' ' A' ' 41' ' ' ASN 1.158 49.9 p30 -44.9 68.3 0.0 OUTLIER 'General case' 3 C--O 0.446 -41.22 5 CA-C-N 161.811 20.278 . . . . 3.4199999999999999 155.234 -179.876 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.423 ' CB ' ' SD ' ' A' ' 42' ' ' MET . 0.6 OUTLIER -173.05 160.15 4.11 Favored 'General case' 1 C--N 0.838 -21.672 3 O-C-N 56.303 -41.498 . . . . 1.8700000000000001 112.966 179.992 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.27 130.82 39.5 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 124.524 1.14 . . . . 0.57999999999999996 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -130.91 125.68 58.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 O-C-N 124.278 0.986 . . . . 1.0900000000000001 109.435 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.26 ' CG2' ' CA ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -137.39 155.46 31.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 O-C-N 124.423 1.077 . . . . 1.45 109.84 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.057 ' CG ' ' CA ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -138.35 136.56 36.49 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 124.182 0.926 . . . . 2.2599999999999998 109.162 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.237 ' CG1' ' CA ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -130.36 145.09 36.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 O-C-N 124.292 0.995 . . . . 1.4399999999999999 109.633 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.222 ' CD ' ' NZ ' ' A' ' 48' ' ' LYS . 7.1 tttt -140.11 107.71 5.6 Favored 'General case' 0 C--O 1.174 -2.905 0 O-C-N 124.367 1.042 . . . . 1.8799999999999999 109.353 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 1.372 ' SD ' ' CB ' ' A' ' 49' ' ' MET . 1.3 ptt? -132.26 165.58 23.83 Favored 'General case' 1 C--O 1.073 -8.203 0 CA-C-O 117.304 -1.331 . . . . 1.79 113.377 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.927 ' O ' ' N ' ' A' ' 52' ' ' GLY 0.366 0.1 OUTLIER -2.8 63.69 0.0 OUTLIER 'Isoleucine or valine' 2 C--O 0.962 -14.069 1 CA-C-O 131.279 5.323 . . . . 2.4300000000000002 120.05 -179.997 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 1.353 ' OG ' ' CA ' ' A' ' 51' ' ' SER 0.256 91.5 p -58.76 62.76 0.0 OUTLIER 'General case' 3 C--N 0.899 -18.993 1 O-C-N 114.349 -5.219 . . . . 2.5099999999999998 112.59 -179.971 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.927 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . -142.16 32.05 2.02 Favored Glycine 1 C--N 1.066 -14.461 1 O-C-N 111.928 -6.732 . . . . 1.3500000000000001 112.707 179.991 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.559 ' CG ' ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -131.58 -172.5 2.87 Favored 'General case' 0 N--CA 1.431 -1.378 0 O-C-N 124.667 0.863 . . . . 3.8300000000000001 111.232 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -133.23 94.82 19.32 Favored Pre-proline 0 C--N 1.304 -1.379 0 O-C-N 124.2 0.938 . . . . 2.0800000000000001 110.194 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.583 ' HG2' ' HA ' ' A' ' 76' ' ' SER . 18.6 Cg_endo -74.97 176.63 9.65 Favored 'Trans proline' 0 C--O 1.149 -3.945 0 O-C-N 124.651 1.869 . . . . 0.84999999999999998 111.181 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.237 ' CD2' ' CB ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -104.02 127.91 51.59 Favored 'General case' 0 C--N 1.246 -3.894 0 O-C-N 120.902 -1.124 . . . . 1.6399999999999999 109.474 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 1.558 ' CB ' ' CD ' ' A' ' 57' ' ' LYS . 6.0 tttt -72.23 -39.2 6.23 Favored Pre-proline 0 C--N 1.313 -0.997 0 O-C-N 124.321 1.013 . . . . 3.25 109.649 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 18.9 Cg_endo -75.23 -38.72 1.38 Allowed 'Trans proline' 0 N--CA 1.435 -1.955 0 O-C-N 124.518 1.799 . . . . 1.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.761 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 1.3 t -47.43 -51.86 18.76 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 115.13 -0.941 . . . . 1.25 111.083 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.331 ' CG2' ' CA ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.0 -34.48 56.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 114.446 -1.252 . . . . 1.8200000000000001 109.443 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 1.453 ' NZ ' ' CD ' ' A' ' 61' ' ' LYS . 17.6 tttt -57.39 -33.33 67.72 Favored 'General case' 0 N--CA 1.411 -2.421 0 O-C-N 125.544 1.777 . . . . 2.3599999999999999 109.504 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 1.307 ' SD ' ' CB ' ' A' ' 62' ' ' MET . 2.0 ttp -55.07 -31.01 60.82 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 114.841 -1.072 . . . . 2.6499999999999999 111.517 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 66' ' ' SER . 0.6 OUTLIER -65.45 -36.02 82.65 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 124.019 0.824 . . . . 1.1799999999999999 109.449 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 1.248 ' OE2' ' CG ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -71.27 -27.64 63.58 Favored 'General case' 0 N--CA 1.414 -2.258 0 O-C-N 124.712 1.257 . . . . 2.3199999999999998 109.844 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -15.48 63.57 Favored 'General case' 0 N--CA 1.413 -2.288 0 O-C-N 124.516 1.135 . . . . 3.8799999999999999 110.398 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.578 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -51.11 -36.63 41.46 Favored 'General case' 1 C--O 0.511 -37.776 1 CA-C-O 131.784 5.564 . . . . 2.5899999999999999 111.23 179.974 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 175.45 34.21 0.0 OUTLIER 'General case' 2 C--N 0.912 -18.419 3 O-C-N 76.454 -28.903 . . . . 2.73 111.464 -179.909 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.254 ' CD2' ' CB ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER 64.43 26.7 13.53 Favored 'General case' 2 C--O 1.011 -11.448 0 C-N-CA 124.653 1.181 . . . . 2.9900000000000002 109.833 -179.97 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.052 HG22 ' H ' ' A' ' 70' ' ' SER 0.29 3.8 p -143.85 -175.67 0.68 Allowed 'Isoleucine or valine' 3 C--O 1.069 -8.444 0 O-C-N 116.304 -3.998 . . . . 2.4300000000000002 115.973 -179.993 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 1.35 ' OG ' ' CA ' ' A' ' 70' ' ' SER 0.296 4.5 t 48.55 96.7 0.01 OUTLIER 'General case' 3 CA--C 1.281 -9.382 0 O-C-N 126.659 2.474 . . . . 2.48 108.107 179.982 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.804 ' HD3' ' C ' ' A' ' 70' ' ' SER 0.369 0.0 OUTLIER -114.61 138.27 50.86 Favored 'General case' 2 N--CA 1.217 -12.12 0 N-CA-C 120.974 3.694 . . . . 4.5300000000000002 120.974 -179.975 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 1.079 ' CG2' HD13 ' A' ' 93' ' ' LEU . 44.0 p -132.3 161.45 33.48 Favored 'General case' 0 C--O 1.197 -1.694 0 O-C-N 124.1 0.875 . . . . 1.03 111.174 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -136.38 151.37 49.48 Favored 'General case' 0 N--CA 1.423 -1.807 0 O-C-N 124.579 1.174 . . . . 2.71 112.571 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.715 HG12 HG21 ' A' ' 60' ' ' VAL . 4.2 p -131.59 119.03 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 124.814 1.321 . . . . 0.79000000000000004 108.94 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.01 33.01 1.78 Allowed 'General case' 0 N--CA 1.433 -1.308 0 O-C-N 124.257 0.973 . . . . 1.1599999999999999 110.686 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.583 ' HA ' ' HG2' ' A' ' 55' ' ' PRO . 0.3 OUTLIER 68.95 -49.61 0.59 Allowed 'General case' 1 C--O 1.012 -11.418 0 CA-C-N 114.297 -1.319 . . . . 1.6499999999999999 110.329 -179.98 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -90.5 -59.36 2.2 Favored 'General case' 2 C--N 1.168 -7.312 1 O-C-N 115.925 -4.234 . . . . 1.9099999999999999 110.177 -179.994 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.659 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -108.12 167.7 9.82 Favored 'General case' 1 C--N 1.229 -4.671 0 O-C-N 121.009 -1.057 . . . . 1.3700000000000001 110.432 179.991 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.577 ' O ' HD13 ' A' ' 80' ' ' LEU . 1.5 t -131.88 150.5 33.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 124.371 1.044 . . . . 0.89000000000000001 109.437 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.609 ' CD1' ' HB2' ' A' ' 46' ' ' ASP . 1.9 mm? -128.92 154.96 46.03 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.409 1.068 . . . . 1.28 109.455 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.105 HG12 HD11 ' A' ' 93' ' ' LEU . 5.2 mp -131.65 133.54 61.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 124.476 1.11 . . . . 0.53000000000000003 109.386 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -145.62 114.91 7.1 Favored 'General case' 0 C--O 1.208 -1.113 0 O-C-N 124.233 0.958 . . . . 3.0099999999999998 111.133 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.1 ' CG ' ' CA ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -139.62 156.85 46.61 Favored 'General case' 0 C--O 1.184 -2.37 0 CA-C-N 115.537 -0.756 . . . . 2.2200000000000002 109.982 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 1.439 ' OD2' ' CB ' ' A' ' 84' ' ' ASP . 36.0 p30 -137.96 116.29 11.91 Favored 'General case' 1 C--O 0.917 -16.418 0 CA-C-O 122.727 1.251 . . . . 2.5699999999999998 110.495 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.833 ' HB2' ' O ' ' A' ' 84' ' ' ASP . 36.9 tttt 172.47 43.48 0.0 OUTLIER 'General case' 4 C--O 0.383 -44.515 2 CA-C-O 145.472 12.082 . . . . 3.6800000000000002 113.41 -179.996 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.629 ' CA ' ' C ' ' A' ' 85' ' ' LYS 1.062 92.2 t -93.28 90.38 2.96 Favored 'Isoleucine or valine' 4 C--O 0.286 -49.608 4 O-C-N 53.976 -42.952 . . . . 3.8700000000000001 153.435 -179.959 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.687 ' O ' ' HB3' ' A' ' 87' ' ' SER 0.668 0.3 OUTLIER -124.14 43.69 2.93 Favored 'General case' 4 C--O 0.747 -25.377 5 O-C-N 87.979 -21.7 . . . . 3.6699999999999999 128.285 179.978 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.814 ' CG ' HD21 ' A' ' 88' ' ' ASN 0.671 1.0 OUTLIER 125.47 22.43 0.0 OUTLIER 'General case' 4 C--N 0.752 -25.401 2 O-C-N 104.319 -11.488 . . . . 4.2300000000000004 131.413 -179.967 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 1.448 ' NE2' ' CG ' ' A' ' 89' ' ' GLN 0.353 2.0 mt-30 -155.08 164.66 38.56 Favored 'General case' 3 C--N 1.008 -14.277 0 N-CA-C 118.399 2.74 . . . . 2.8999999999999999 118.399 -179.932 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 32' ' ' SER . 10.4 t -78.83 169.24 18.53 Favored 'General case' 1 C--N 1.172 -7.137 0 O-C-N 117.142 -3.474 . . . . 0.75 110.396 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.092 ' CD2' ' CD1' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -139.35 159.01 43.15 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.913 -1.04 . . . . 1.99 109.543 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 92.3 p -148.08 164.66 33.17 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 124.097 0.873 . . . . 0.75 110.564 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.105 HD11 HG12 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -149.11 168.73 22.41 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 124.324 1.015 . . . . 1.8100000000000001 109.847 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 1.503 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -139.45 147.13 40.93 Favored 'General case' 0 C--O 1.19 -2.052 0 O-C-N 124.183 0.927 . . . . 1.6100000000000001 111.133 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -143.45 176.11 9.42 Favored 'General case' 0 N--CA 1.426 -1.627 0 O-C-N 124.347 1.029 . . . . 2.2799999999999998 112.943 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.4 t -138.45 150.77 46.8 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 124.409 1.068 . . . . 0.80000000000000004 110.542 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.28 ' CG1' ' CA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.29 154.87 25.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 O-C-N 124.246 0.967 . . . . 1.5600000000000001 109.734 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.52 164.35 25.05 Favored 'General case' 1 C--O 1.082 -7.733 0 CA-C-O 124.189 1.947 . . . . 1.3 109.532 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 1.359 ' CG ' ' CA ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -129.87 148.84 51.78 Favored 'General case' 3 C--O 0.82 -21.543 0 O-C-N 116.391 -3.943 . . . . 3.21 112.191 180.0 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 1.419 ' C ' ' CA ' ' A' ' 101' ' ' VAL . 2.3 t0 -149.47 -63.66 0.22 Allowed 'General case' 4 C--O 0.582 -34.058 4 CA-C-O 168.898 23.237 . . . . 3.1400000000000001 112.48 179.947 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.419 ' CA ' ' C ' ' A' ' 100' ' ' ASP 0.37 0.3 OUTLIER -102.57 127.96 29.15 Favored Pre-proline 4 C--N 0.526 -35.209 3 O-C-N 25.141 -60.974 . . . . 3.23 119.976 179.892 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 1.421 ' O ' ' CA ' ' A' ' 102' ' ' PRO 0.569 14.0 Cg_endo -78.54 151.89 25.87 Favored 'Trans proline' 4 C--O 0.759 -23.441 4 C-N-CA 131.235 7.957 . . . . 3.0800000000000001 127.887 179.947 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 1.337 ' N ' ' O ' ' A' ' 102' ' ' PRO 0.552 0.3 OUTLIER -146.42 -179.44 0.82 Allowed 'Isoleucine or valine' 4 C--O 0.563 -35.061 3 CA-C-N 132.181 6.809 . . . . 2.8100000000000001 123.12 179.972 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 1.557 ' CG ' ' CA ' ' A' ' 104' ' ' ARG 0.44 0.3 OUTLIER -122.62 87.95 2.84 Favored 'General case' 3 C--N 0.925 -17.881 4 O-C-N 99.927 -14.233 . . . . 6.0 124.369 179.994 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . 0.258 0.7 OUTLIER -157.79 118.42 3.46 Favored 'General case' 4 C--O 0.979 -13.149 1 O-C-N 113.304 -5.873 . . . . 3.5699999999999998 115.584 -179.985 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 1.518 ' HG ' ' CA ' ' A' ' 106' ' ' LEU 0.338 0.0 OUTLIER -115.01 121.21 42.41 Favored 'General case' 4 C--O 1.026 -10.71 0 N-CA-C 116.933 2.197 . . . . 3.5800000000000001 116.933 179.998 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 1.507 ' NZ ' ' CD ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -160.32 160.94 26.21 Favored Pre-proline 2 N--CA 1.32 -6.958 0 C-N-CA 125.857 1.663 . . . . 3.2999999999999998 112.665 179.97 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 107' ' ' LYS . 19.2 Cg_endo -74.86 -177.43 3.43 Favored 'Trans proline' 0 N--CA 1.415 -3.128 0 O-C-N 124.148 1.604 . . . . 1.0 111.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.508 ' CB ' ' HA ' ' A' ' 49' ' ' MET . . . -133.64 156.46 47.85 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 124.515 1.134 . . . . 0.72999999999999998 109.79 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.248 ' CG1' ' CA ' ' A' ' 110' ' ' ILE . 1.5 tp -136.67 157.31 36.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.801 -1.09 . . . . 2.2799999999999998 109.439 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.039 HG11 HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -144.37 147.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 O-C-N 124.476 1.11 . . . . 1.1699999999999999 109.436 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 1.559 ' CB ' ' CD ' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -140.82 148.32 40.39 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.426 1.079 . . . . 2.3799999999999999 109.445 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.312 ' CG1' ' CA ' ' A' ' 113' ' ' VAL . 0.5 OUTLIER -137.15 132.86 46.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 O-C-N 124.308 1.005 . . . . 1.52 109.512 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 1.571 ' CZ ' ' CD2' ' A' ' 114' ' ' TYR . 9.3 t80 -134.96 170.57 15.69 Favored 'General case' 0 C--O 1.192 -1.958 0 O-C-N 124.414 1.071 . . . . 2.0499999999999998 110.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 1.394 ' O ' ' CA ' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -140.54 -9.63 1.08 Allowed 'General case' 1 C--O 0.53 -36.764 1 CA-C-O 156.94 17.543 . . . . 2.5800000000000001 109.996 -179.971 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 1.394 ' CA ' ' O ' ' A' ' 115' ' ' ASP 0.305 12.8 t80 135.68 142.81 0.0 OUTLIER 'General case' 3 C--O 0.631 -31.448 3 O-C-N 42.122 -50.361 . . . . 3.8999999999999999 115.404 -179.991 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . 1.02 0.6 OUTLIER 61.82 -164.54 0.24 Allowed 'General case' 4 C--O 0.438 -41.641 5 N-CA-C 149.856 14.391 . . . . 6.4100000000000001 149.856 -179.981 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 1.384 ' O ' ' CA ' ' A' ' 118' ' ' GLU 1.125 2.3 mm-40 -38.35 -123.82 0.0 OUTLIER 'General case' 4 C--O 0.512 -37.752 5 N-CA-C 152.116 15.228 . . . . 5.9400000000000004 152.116 179.912 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . 1.323 ' CA ' ' C ' ' A' ' 118' ' ' GLU 0.609 53.8 m -77.3 87.5 3.71 Favored 'General case' 4 C--O 0.44 -41.506 4 O-C-N 77.957 -27.965 . . . . 4.1799999999999997 128.828 -179.925 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.463 ' HB2' HG22 ' A' ' 119' ' ' THR 0.676 2.5 m-20 88.44 79.74 0.01 OUTLIER 'General case' 4 C--O 0.498 -38.468 5 O-C-N 82.105 -25.372 . . . . 4.0999999999999996 126.334 -179.927 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . 0.593 0.6 OUTLIER -179.45 92.85 0.02 OUTLIER 'General case' 4 C--O 0.815 -21.782 3 CA-C-N 145.749 12.977 . . . . 3.8599999999999999 124.216 -179.974 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 1.588 ' CZ ' ' CD1' ' A' ' 122' ' ' PHE . 1.1 p90 -171.59 174.83 4.23 Favored 'General case' 2 C--N 0.944 -17.05 3 O-C-N 103.987 -11.695 . . . . 1.97 111.414 179.949 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -129.36 150.35 50.76 Favored 'General case' 0 N--CA 1.433 -1.322 0 O-C-N 124.658 1.224 . . . . 0.67000000000000004 109.86 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.91 141.76 31.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.104 -0.953 . . . . 1.74 109.382 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.854 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -138.67 174.34 10.63 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.389 1.056 . . . . 0.58999999999999997 109.687 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 1.372 ' OE2' ' CG ' ' A' ' 126' ' ' GLU . 1.7 tt0 -131.51 155.24 47.77 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 124.148 0.905 . . . . 2.2400000000000002 110.635 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 1.425 ' CZ ' ' CD2' ' A' ' 127' ' ' TYR . 1.2 t80 -143.23 173.86 11.22 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 124.325 1.015 . . . . 1.8899999999999999 112.026 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 1.155 ' ND2' ' CB ' ' A' ' 128' ' ' ASN . 0.9 OUTLIER -148.5 160.3 43.21 Favored 'General case' 1 C--O 1.125 -5.465 0 O-C-N 124.602 1.189 . . . . 1.3500000000000001 109.463 -179.994 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' A' ' 130' ' ' PRO . . . -62.76 115.22 15.47 Favored Pre-proline 3 C--O 0.888 -17.943 0 O-C-N 119.854 -1.779 . . . . 1.3500000000000001 112.0 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.605 ' HD3' ' O ' ' A' ' 128' ' ' ASN 0.48 18.4 Cg_endo -77.31 66.55 7.85 Favored 'Trans proline' 4 C--O 0.886 -17.113 4 CA-C-O 138.764 7.735 . . . . 2.7200000000000002 127.141 -179.992 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 1.343 ' SG ' ' SG ' ' A' ' 16' ' ' CYS 0.256 0.5 OUTLIER 119.14 39.81 0.0 OUTLIER 'General case' 4 C--O 0.306 -48.563 1 O-C-N 100.641 -13.787 . . . . 2.0600000000000001 106.789 179.967 -139.675 -168.501 -173.443 143.606 1.354 152.663 -158.541 -108.193 6 4 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . 0.425 0.1 OUTLIER -60.74 116.18 4.22 Favored 'General case' 4 C--O 0.668 -29.551 4 O-C-N 72.584 -31.323 . . . . 2.54 122.729 179.901 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . 0.649 4.1 tttt -177.36 138.87 0.24 Allowed 'General case' 4 C--O 0.648 -30.57 5 CA-C-N 137.026 9.012 . . . . 5.2699999999999996 130.608 179.967 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . 1.155 47.4 t0 -128.67 95.8 4.21 Favored 'General case' 4 C--O 0.354 -46.063 3 N-CA-C 157.188 17.107 . . . . 4.3499999999999996 157.188 -179.998 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 135' ' ' LEU 1.133 4.7 tt -131.49 62.73 1.62 Allowed 'General case' 4 C--O 0.605 -32.858 5 O-C-N 82.293 -25.254 . . . . 5.1399999999999997 152.084 179.941 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -84.38 -94.54 0.69 Allowed Glycine 4 C--O 0.286 -59.136 5 CA-C-O 48.283 -40.176 . . . . 3.1200000000000001 173.454 -179.981 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . 1.496 0.0 OUTLIER 163.84 111.6 0.0 OUTLIER 'General case' 4 C--O 0.158 -56.385 5 CA-C-N 166.751 25.276 . . . . 4.7000000000000002 168.756 179.924 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . 1.318 . . . . . . . 4 N--CA 0.759 -34.979 4 CA-C-N 165.421 21.918 . . . . 6.0999999999999996 164.335 -179.798 . . . . . . . . 3 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 1.59 ' CG ' ' CA ' ' A' ' 1' ' ' GLU . . . . . . . . 2 C--O 0.354 -46.046 1 CA-C-O 89.284 -14.674 . . . . 6.04 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.995 3.4 tt0 -119.25 144.91 46.5 Favored 'General case' 4 C--O 0.194 -54.461 4 CA-C-O 48.455 -34.117 . . . . 5.76 148.97 179.991 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 4' ' ' PRO 0.816 5.1 m-30 176.82 109.38 0.12 Allowed Pre-proline 4 C--O 0.834 -20.764 4 CA-C-N 171.168 24.531 . . . . 6.66 134.483 -179.832 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.515 ' O ' ' O ' ' A' ' 3' ' ' PHE 0.624 36.8 Cg_endo -66.28 -105.39 0.0 OUTLIER 'Trans proline' 2 N--CA 0.946 -30.723 1 N-CA-C 124.853 4.905 . . . . 1.93 124.853 -179.979 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.704 ' CE2' ' O ' ' A' ' 122' ' ' PHE . 1.5 p90 -134.11 162.36 32.33 Favored 'General case' 0 N--CA 1.409 -2.513 0 O-C-N 124.775 1.297 . . . . 2.24 111.777 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 32' ' ' SER . . . -151.47 147.66 27.12 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.404 1.065 . . . . 0.59 109.482 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.883 ' HB2' HG21 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -131.72 152.2 51.08 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 124.457 1.098 . . . . 1.5 109.391 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.67 114.51 1.1 Allowed Glycine 0 C--O 1.217 -0.945 0 O-C-N 124.191 0.932 . . . . 0.56 111.408 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.166 ' CG2' ' CA ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -140.43 118.48 10.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 109.373 -0.603 . . . . 1.21 109.373 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 1.506 ' NE2' ' CG ' ' A' ' 10' ' ' GLN . 35.2 mt-30 -146.81 -176.99 5.42 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.304 1.002 . . . . 1.77 110.533 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.682 HG23 ' OH ' ' A' ' 127' ' ' TYR . 32.6 p -142.85 171.74 13.65 Favored 'General case' 0 C--O 1.194 -1.839 0 O-C-N 124.235 0.959 . . . . 0.73 110.576 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.516 ' CD2' ' CB ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -136.65 75.6 49.93 Favored Pre-proline 0 C--N 1.297 -1.716 0 N-CA-C 109.45 -0.574 . . . . 1.78 109.45 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.598 ' O ' ' N ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -74.95 -11.31 21.57 Favored 'Trans proline' 1 C--O 0.986 -12.098 0 CA-C-O 128.15 3.313 . . . . 1.25 111.198 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 1.486 ' NE2' ' CG ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 67.24 -42.36 0.43 Allowed 'General case' 2 C--N 1.044 -12.686 1 O-C-N 109.23 -8.419 . . . . 2.97 110.725 179.966 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.885 ' HB ' ' O ' ' A' ' 14' ' ' GLN . 0.6 OUTLIER 175.12 138.98 0.05 OUTLIER 'General case' 3 C--O 0.917 -16.445 0 O-C-N 117.141 -3.474 . . . . 2.49 114.976 -179.991 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.343 ' SG ' ' SG ' ' A' ' 131' ' ' CYS . 0.5 OUTLIER -103.44 79.23 1.68 Allowed 'General case' 2 C--N 1.022 -13.664 1 O-C-N 111.515 -6.99 . . . . 1.78 108.553 179.936 -108.193 -158.541 -173.443 152.663 1.354 143.606 -168.501 -139.675 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 1.14 ' OD2' ' CB ' ' A' ' 17' ' ' ASP . 4.0 t0 -173.37 -5.28 0.01 OUTLIER 'General case' 2 C--O 1.046 -9.611 0 CA-C-N 115.132 -0.94 . . . . 2.16 109.11 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 1.408 ' OE2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -120.49 162.03 36.34 Favored Pre-proline 1 C--N 1.174 -7.04 0 O-C-N 117.122 -3.486 . . . . 2.48 111.418 179.99 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 21' ' ' ALA . 18.6 Cg_endo -75.86 -44.84 0.26 Allowed 'Trans proline' 0 N--CA 1.419 -2.867 0 C-N-CA 121.87 1.714 . . . . 2.09 112.719 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 1.183 ' NZ ' ' CD ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -55.08 -24.07 23.61 Favored 'General case' 0 C--N 1.267 -2.983 0 N-CA-C 108.404 -0.961 . . . . 2.78 108.404 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' PRO . . . -67.45 -56.75 8.33 Favored 'General case' 0 N--CA 1.406 -2.628 0 O-C-N 125.227 1.58 . . . . 1.08 108.829 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -38.93 86.61 Favored 'General case' 0 N--CA 1.399 -3.016 0 CA-C-N 114.591 -1.186 . . . . 2.94 110.501 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 m -50.29 -51.78 42.13 Favored 'General case' 0 C--N 1.261 -3.278 0 CA-C-N 115.969 -0.559 . . . . 1.35 111.019 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.6 p -137.22 145.19 43.33 Favored 'General case' 0 N--CA 1.417 -2.09 0 O-C-N 124.738 1.274 . . . . 0.99 111.048 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.9 172.43 13.02 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 124.83 1.331 . . . . 2.37 112.045 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' C ' HG13 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -132.23 148.34 52.45 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 124.569 1.168 . . . . 1.68 110.609 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.587 HD11 HG22 ' A' ' 97' ' ' VAL . 2.9 mt -128.62 152.84 37.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 124.506 1.129 . . . . 0.59 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.2 t -132.07 134.88 46.01 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.326 1.016 . . . . 0.92 110.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.421 ' CD2' ' CB ' ' A' ' 29' ' ' LEU . 1.1 mm? -130.95 143.61 50.85 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 124.462 1.102 . . . . 1.54 109.406 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 92' ' ' SER . 8.8 t -150.85 146.22 26.2 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 124.14 0.9 . . . . 0.97 110.397 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.266 ' CG2' ' CA ' ' A' ' 31' ' ' VAL . 9.2 p -130.76 133.13 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 O-C-N 124.536 1.148 . . . . 1.46 109.674 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 6' ' ' ALA . 30.2 t -144.17 104.65 4.14 Favored 'General case' 0 C--O 1.19 -2.039 0 O-C-N 124.448 1.093 . . . . 0.99 110.077 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 1.639 ' CZ ' ' CD1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -132.22 144.47 50.66 Favored 'General case' 0 C--O 1.154 -3.952 0 CA-C-N 116.033 -0.53 . . . . 3.14 111.358 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 1.265 ' CG2' ' CA ' ' A' ' 34' ' ' THR . 34.6 m -136.82 151.25 48.93 Favored 'General case' 1 C--O 0.801 -22.546 1 CA-C-O 130.695 5.045 . . . . 2.01 112.941 -179.982 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.59 -145.75 4.28 Favored Glycine 4 C--O 0.746 -30.39 3 O-C-N 97.523 -15.736 . . . . 2.02 113.594 -179.996 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 1.263 ' OG ' ' CA ' ' A' ' 36' ' ' SER . 6.6 t -137.04 27.81 2.9 Favored 'General case' 4 C--O 0.855 -19.661 3 O-C-N 101.437 -12.802 . . . . 2.72 113.213 -179.995 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 37' ' ' ARG 0.503 1.9 ttt85 -108.92 141.63 40.72 Favored 'General case' 4 C--O 0.551 -35.675 3 N-CA-C 123.918 4.784 . . . . 6.07 123.918 179.973 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . 0.674 0.5 OUTLIER -57.8 3.83 0.02 OUTLIER 'General case' 4 C--O 0.825 -21.247 4 O-C-N 100.6 -13.812 . . . . 4.35 134.538 179.964 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 1.163 . . -134.8 155.28 50.9 Favored 'General case' 4 C--O 0.286 -49.606 1 N-CA-C 157.502 17.223 . . . . 3.62 157.502 179.969 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . 1.248 14.3 m 32.59 123.44 0.0 OUTLIER 'General case' 4 C--O 0.25 -51.526 5 CA-C-O 65.706 -25.902 . . . . 4.56 161.523 180.0 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 1.271 ' O ' ' CA ' ' A' ' 41' ' ' ASN 1.158 49.9 p30 -44.9 68.3 0.0 OUTLIER 'General case' 3 C--O 0.446 -41.22 5 CA-C-N 161.811 20.278 . . . . 3.42 155.234 -179.876 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.423 ' CB ' ' SD ' ' A' ' 42' ' ' MET . 0.6 OUTLIER -173.05 160.15 4.11 Favored 'General case' 1 C--N 0.838 -21.672 3 O-C-N 56.303 -41.498 . . . . 1.87 112.966 179.992 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.27 130.82 39.5 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 124.524 1.14 . . . . 0.58 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -130.91 125.68 58.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 O-C-N 124.278 0.986 . . . . 1.09 109.435 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.26 ' CG2' ' CA ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -137.39 155.46 31.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 O-C-N 124.423 1.077 . . . . 1.45 109.84 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.057 ' CG ' ' CA ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -138.35 136.56 36.49 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 124.182 0.926 . . . . 2.26 109.162 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.237 ' CG1' ' CA ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -130.36 145.09 36.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 O-C-N 124.292 0.995 . . . . 1.44 109.633 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.222 ' CD ' ' NZ ' ' A' ' 48' ' ' LYS . 7.1 tttt -140.11 107.71 5.6 Favored 'General case' 0 C--O 1.174 -2.905 0 O-C-N 124.367 1.042 . . . . 1.88 109.353 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 1.372 ' SD ' ' CB ' ' A' ' 49' ' ' MET . 1.3 ptt? -132.26 165.58 23.83 Favored 'General case' 1 C--O 1.073 -8.203 0 CA-C-O 117.304 -1.331 . . . . 1.79 113.377 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.927 ' O ' ' N ' ' A' ' 52' ' ' GLY 0.366 0.1 OUTLIER -2.8 63.69 0.0 OUTLIER 'Isoleucine or valine' 2 C--O 0.962 -14.069 1 CA-C-O 131.279 5.323 . . . . 2.43 120.05 -179.997 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 1.353 ' OG ' ' CA ' ' A' ' 51' ' ' SER 0.256 91.5 p -58.76 62.76 0.0 OUTLIER 'General case' 3 C--N 0.899 -18.993 1 O-C-N 114.349 -5.219 . . . . 2.51 112.59 -179.971 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.927 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . -142.16 32.05 2.02 Favored Glycine 1 C--N 1.066 -14.461 1 O-C-N 111.928 -6.732 . . . . 1.35 112.707 179.991 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.559 ' CG ' ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -131.58 -172.5 2.87 Favored 'General case' 0 N--CA 1.431 -1.378 0 O-C-N 124.667 0.863 . . . . 3.83 111.232 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -133.23 94.82 19.32 Favored Pre-proline 0 C--N 1.304 -1.379 0 O-C-N 124.2 0.938 . . . . 2.08 110.194 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.583 ' HG2' ' HA ' ' A' ' 76' ' ' SER . 18.6 Cg_endo -74.97 176.63 9.65 Favored 'Trans proline' 0 C--O 1.149 -3.945 0 O-C-N 124.651 1.869 . . . . 0.85 111.181 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.237 ' CD2' ' CB ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -104.02 127.91 51.59 Favored 'General case' 0 C--N 1.246 -3.894 0 O-C-N 120.902 -1.124 . . . . 1.64 109.474 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 1.558 ' CB ' ' CD ' ' A' ' 57' ' ' LYS . 6.0 tttt -72.23 -39.2 6.23 Favored Pre-proline 0 C--N 1.313 -0.997 0 O-C-N 124.321 1.013 . . . . 3.25 109.649 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 18.9 Cg_endo -75.23 -38.72 1.38 Allowed 'Trans proline' 0 N--CA 1.435 -1.955 0 O-C-N 124.518 1.799 . . . . 1.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.761 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 1.3 t -47.43 -51.86 18.76 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 115.13 -0.941 . . . . 1.25 111.083 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.331 ' CG2' ' CA ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.0 -34.48 56.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 114.446 -1.252 . . . . 1.82 109.443 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 1.453 ' NZ ' ' CD ' ' A' ' 61' ' ' LYS . 17.6 tttt -57.39 -33.33 67.72 Favored 'General case' 0 N--CA 1.411 -2.421 0 O-C-N 125.544 1.777 . . . . 2.36 109.504 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 1.307 ' SD ' ' CB ' ' A' ' 62' ' ' MET . 2.0 ttp -55.07 -31.01 60.82 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 114.841 -1.072 . . . . 2.65 111.517 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 66' ' ' SER . 0.6 OUTLIER -65.45 -36.02 82.65 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 124.019 0.824 . . . . 1.18 109.449 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 1.248 ' OE2' ' CG ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -71.27 -27.64 63.58 Favored 'General case' 0 N--CA 1.414 -2.258 0 O-C-N 124.712 1.257 . . . . 2.32 109.844 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -15.48 63.57 Favored 'General case' 0 N--CA 1.413 -2.288 0 O-C-N 124.516 1.135 . . . . 3.88 110.398 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.578 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -51.11 -36.63 41.46 Favored 'General case' 1 C--O 0.511 -37.776 1 CA-C-O 131.784 5.564 . . . . 2.59 111.23 179.974 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 175.45 34.21 0.0 OUTLIER 'General case' 2 C--N 0.912 -18.419 3 O-C-N 76.454 -28.903 . . . . 2.73 111.464 -179.909 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.254 ' CD2' ' CB ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER 64.43 26.7 13.53 Favored 'General case' 2 C--O 1.011 -11.448 0 C-N-CA 124.653 1.181 . . . . 2.99 109.833 -179.97 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.052 HG22 ' H ' ' A' ' 70' ' ' SER 0.29 3.8 p -143.85 -175.67 0.68 Allowed 'Isoleucine or valine' 3 C--O 1.069 -8.444 0 O-C-N 116.304 -3.998 . . . . 2.43 115.973 -179.993 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 1.35 ' OG ' ' CA ' ' A' ' 70' ' ' SER 0.296 4.5 t 48.55 96.7 0.01 OUTLIER 'General case' 3 CA--C 1.281 -9.382 0 O-C-N 126.659 2.474 . . . . 2.48 108.107 179.982 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.804 ' HD3' ' C ' ' A' ' 70' ' ' SER 0.369 0.0 OUTLIER -114.61 138.27 50.86 Favored 'General case' 2 N--CA 1.217 -12.12 0 N-CA-C 120.974 3.694 . . . . 4.53 120.974 -179.975 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 1.079 ' CG2' HD13 ' A' ' 93' ' ' LEU . 44.0 p -132.3 161.45 33.48 Favored 'General case' 0 C--O 1.197 -1.694 0 O-C-N 124.1 0.875 . . . . 1.03 111.174 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -136.38 151.37 49.48 Favored 'General case' 0 N--CA 1.423 -1.807 0 O-C-N 124.579 1.174 . . . . 2.71 112.571 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.715 HG12 HG21 ' A' ' 60' ' ' VAL . 4.2 p -131.59 119.03 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 124.814 1.321 . . . . 0.79 108.94 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.01 33.01 1.78 Allowed 'General case' 0 N--CA 1.433 -1.308 0 O-C-N 124.257 0.973 . . . . 1.16 110.686 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.583 ' HA ' ' HG2' ' A' ' 55' ' ' PRO . 0.3 OUTLIER 68.95 -49.61 0.59 Allowed 'General case' 1 C--O 1.012 -11.418 0 CA-C-N 114.297 -1.319 . . . . 1.65 110.329 -179.98 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -90.5 -59.36 2.2 Favored 'General case' 2 C--N 1.168 -7.312 1 O-C-N 115.925 -4.234 . . . . 1.91 110.177 -179.994 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.659 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -108.12 167.7 9.82 Favored 'General case' 1 C--N 1.229 -4.671 0 O-C-N 121.009 -1.057 . . . . 1.37 110.432 179.991 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.577 ' O ' HD13 ' A' ' 80' ' ' LEU . 1.5 t -131.88 150.5 33.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 124.371 1.044 . . . . 0.89 109.437 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.609 ' CD1' ' HB2' ' A' ' 46' ' ' ASP . 1.9 mm? -128.92 154.96 46.03 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.409 1.068 . . . . 1.28 109.455 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.105 HG12 HD11 ' A' ' 93' ' ' LEU . 5.2 mp -131.65 133.54 61.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 124.476 1.11 . . . . 0.53 109.386 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -145.62 114.91 7.1 Favored 'General case' 0 C--O 1.208 -1.113 0 O-C-N 124.233 0.958 . . . . 3.01 111.133 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.1 ' CG ' ' CA ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -139.62 156.85 46.61 Favored 'General case' 0 C--O 1.184 -2.37 0 CA-C-N 115.537 -0.756 . . . . 2.22 109.982 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 1.439 ' OD2' ' CB ' ' A' ' 84' ' ' ASP . 36.0 p30 -137.96 116.29 11.91 Favored 'General case' 1 C--O 0.917 -16.418 0 CA-C-O 122.727 1.251 . . . . 2.57 110.495 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.833 ' HB2' ' O ' ' A' ' 84' ' ' ASP . 36.9 tttt 172.47 43.48 0.0 OUTLIER 'General case' 4 C--O 0.383 -44.515 2 CA-C-O 145.472 12.082 . . . . 3.68 113.41 -179.996 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.629 ' CA ' ' C ' ' A' ' 85' ' ' LYS 1.062 92.2 t -93.28 90.38 2.96 Favored 'Isoleucine or valine' 4 C--O 0.286 -49.608 4 O-C-N 53.976 -42.952 . . . . 3.87 153.435 -179.959 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.687 ' O ' ' HB3' ' A' ' 87' ' ' SER 0.668 0.3 OUTLIER -124.14 43.69 2.93 Favored 'General case' 4 C--O 0.747 -25.377 5 O-C-N 87.979 -21.7 . . . . 3.67 128.285 179.978 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.814 ' CG ' HD21 ' A' ' 88' ' ' ASN 0.671 1.0 OUTLIER 125.47 22.43 0.0 OUTLIER 'General case' 4 C--N 0.752 -25.401 2 O-C-N 104.319 -11.488 . . . . 4.23 131.413 -179.967 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 1.448 ' NE2' ' CG ' ' A' ' 89' ' ' GLN 0.353 2.0 mt-30 -155.08 164.66 38.56 Favored 'General case' 3 C--N 1.008 -14.277 0 N-CA-C 118.399 2.74 . . . . 2.9 118.399 -179.932 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 32' ' ' SER . 10.4 t -78.83 169.24 18.53 Favored 'General case' 1 C--N 1.172 -7.137 0 O-C-N 117.142 -3.474 . . . . 0.75 110.396 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.092 ' CD2' ' CD1' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -139.35 159.01 43.15 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.913 -1.04 . . . . 1.99 109.543 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 92.3 p -148.08 164.66 33.17 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 124.097 0.873 . . . . 0.75 110.564 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.105 HD11 HG12 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -149.11 168.73 22.41 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 124.324 1.015 . . . . 1.81 109.847 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 1.503 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -139.45 147.13 40.93 Favored 'General case' 0 C--O 1.19 -2.052 0 O-C-N 124.183 0.927 . . . . 1.61 111.133 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -143.45 176.11 9.42 Favored 'General case' 0 N--CA 1.426 -1.627 0 O-C-N 124.347 1.029 . . . . 2.28 112.943 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.4 t -138.45 150.77 46.8 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 124.409 1.068 . . . . 0.8 110.542 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.28 ' CG1' ' CA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.29 154.87 25.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 O-C-N 124.246 0.967 . . . . 1.56 109.734 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.52 164.35 25.05 Favored 'General case' 1 C--O 1.082 -7.733 0 CA-C-O 124.189 1.947 . . . . 1.3 109.532 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 1.359 ' CG ' ' CA ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -129.87 148.84 51.78 Favored 'General case' 3 C--O 0.82 -21.543 0 O-C-N 116.391 -3.943 . . . . 3.21 112.191 180.0 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 1.419 ' C ' ' CA ' ' A' ' 101' ' ' VAL . 2.3 t0 -149.47 -63.66 0.22 Allowed 'General case' 4 C--O 0.582 -34.058 4 CA-C-O 168.898 23.237 . . . . 3.14 112.48 179.947 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.419 ' CA ' ' C ' ' A' ' 100' ' ' ASP 0.37 0.3 OUTLIER -102.57 127.96 29.15 Favored Pre-proline 4 C--N 0.526 -35.209 3 O-C-N 25.141 -60.974 . . . . 3.23 119.976 179.892 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 1.421 ' O ' ' CA ' ' A' ' 102' ' ' PRO 0.569 14.0 Cg_endo -78.54 151.89 25.87 Favored 'Trans proline' 4 C--O 0.759 -23.441 4 C-N-CA 131.235 7.957 . . . . 3.08 127.887 179.947 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 1.337 ' N ' ' O ' ' A' ' 102' ' ' PRO 0.552 0.3 OUTLIER -146.42 -179.44 0.82 Allowed 'Isoleucine or valine' 4 C--O 0.563 -35.061 3 CA-C-N 132.181 6.809 . . . . 2.81 123.12 179.972 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 1.557 ' CG ' ' CA ' ' A' ' 104' ' ' ARG 0.44 0.3 OUTLIER -122.62 87.95 2.84 Favored 'General case' 3 C--N 0.925 -17.881 4 O-C-N 99.927 -14.233 . . . . 6.0 124.369 179.994 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . 0.258 0.7 OUTLIER -157.79 118.42 3.46 Favored 'General case' 4 C--O 0.979 -13.149 1 O-C-N 113.304 -5.873 . . . . 3.57 115.584 -179.985 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 1.518 ' HG ' ' CA ' ' A' ' 106' ' ' LEU 0.338 0.0 OUTLIER -115.01 121.21 42.41 Favored 'General case' 4 C--O 1.026 -10.71 0 N-CA-C 116.933 2.197 . . . . 3.58 116.933 179.998 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 1.507 ' NZ ' ' CD ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -160.32 160.94 26.21 Favored Pre-proline 2 N--CA 1.32 -6.958 0 C-N-CA 125.857 1.663 . . . . 3.3 112.665 179.97 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 107' ' ' LYS . 19.2 Cg_endo -74.86 -177.43 3.43 Favored 'Trans proline' 0 N--CA 1.415 -3.128 0 O-C-N 124.148 1.604 . . . . 1.0 111.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.508 ' CB ' ' HA ' ' A' ' 49' ' ' MET . . . -133.64 156.46 47.85 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 124.515 1.134 . . . . 0.73 109.79 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.248 ' CG1' ' CA ' ' A' ' 110' ' ' ILE . 1.5 tp -136.67 157.31 36.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.801 -1.09 . . . . 2.28 109.439 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.039 HG11 HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -144.37 147.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 O-C-N 124.476 1.11 . . . . 1.17 109.436 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 1.559 ' CB ' ' CD ' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -140.82 148.32 40.39 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.426 1.079 . . . . 2.38 109.445 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.312 ' CG1' ' CA ' ' A' ' 113' ' ' VAL . 0.5 OUTLIER -137.15 132.86 46.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 O-C-N 124.308 1.005 . . . . 1.52 109.512 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 1.571 ' CZ ' ' CD2' ' A' ' 114' ' ' TYR . 9.3 t80 -134.96 170.57 15.69 Favored 'General case' 0 C--O 1.192 -1.958 0 O-C-N 124.414 1.071 . . . . 2.05 110.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 1.394 ' O ' ' CA ' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -140.54 -9.63 1.08 Allowed 'General case' 1 C--O 0.53 -36.764 1 CA-C-O 156.94 17.543 . . . . 2.58 109.996 -179.971 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 1.394 ' CA ' ' O ' ' A' ' 115' ' ' ASP 0.305 12.8 t80 135.68 142.81 0.0 OUTLIER 'General case' 3 C--O 0.631 -31.448 3 O-C-N 42.122 -50.361 . . . . 3.9 115.404 -179.991 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . 1.02 0.6 OUTLIER 61.82 -164.54 0.24 Allowed 'General case' 4 C--O 0.438 -41.641 5 N-CA-C 149.856 14.391 . . . . 6.41 149.856 -179.981 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 1.384 ' O ' ' CA ' ' A' ' 118' ' ' GLU 1.125 2.3 mm-40 -38.35 -123.82 0.0 OUTLIER 'General case' 4 C--O 0.512 -37.752 5 N-CA-C 152.116 15.228 . . . . 5.94 152.116 179.912 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 1.323 ' CA ' ' C ' ' A' ' 118' ' ' GLU 0.609 53.8 m -77.3 87.5 3.71 Favored 'General case' 4 C--O 0.44 -41.506 4 O-C-N 77.957 -27.965 . . . . 4.18 128.828 -179.925 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.463 ' HB2' HG22 ' A' ' 119' ' ' THR 0.676 2.5 m-20 88.44 79.74 0.01 OUTLIER 'General case' 4 C--O 0.498 -38.468 5 O-C-N 82.105 -25.372 . . . . 4.1 126.334 -179.927 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . 0.593 0.6 OUTLIER -179.45 92.85 0.02 OUTLIER 'General case' 4 C--O 0.815 -21.782 3 CA-C-N 145.749 12.977 . . . . 3.86 124.216 -179.974 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 1.588 ' CZ ' ' CD1' ' A' ' 122' ' ' PHE . 1.1 p90 -171.59 174.83 4.23 Favored 'General case' 2 C--N 0.944 -17.05 3 O-C-N 103.987 -11.695 . . . . 1.97 111.414 179.949 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -129.36 150.35 50.76 Favored 'General case' 0 N--CA 1.433 -1.322 0 O-C-N 124.658 1.224 . . . . 0.67 109.86 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.91 141.76 31.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.104 -0.953 . . . . 1.74 109.382 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.854 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -138.67 174.34 10.63 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.389 1.056 . . . . 0.59 109.687 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 1.372 ' OE2' ' CG ' ' A' ' 126' ' ' GLU . 1.7 tt0 -131.51 155.24 47.77 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 124.148 0.905 . . . . 2.24 110.635 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 1.425 ' CZ ' ' CD2' ' A' ' 127' ' ' TYR . 1.2 t80 -143.23 173.86 11.22 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 124.325 1.015 . . . . 1.89 112.026 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 1.155 ' ND2' ' CB ' ' A' ' 128' ' ' ASN . 0.9 OUTLIER -148.5 160.3 43.21 Favored 'General case' 1 C--O 1.125 -5.465 0 O-C-N 124.602 1.189 . . . . 1.35 109.463 -179.994 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' A' ' 130' ' ' PRO . . . -62.76 115.22 15.47 Favored Pre-proline 3 C--O 0.888 -17.943 0 O-C-N 119.854 -1.779 . . . . 1.35 112.0 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.605 ' HD3' ' O ' ' A' ' 128' ' ' ASN 0.48 18.4 Cg_endo -77.31 66.55 7.85 Favored 'Trans proline' 4 C--O 0.886 -17.113 4 CA-C-O 138.764 7.735 . . . . 2.72 127.141 -179.992 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 1.343 ' SG ' ' SG ' ' A' ' 16' ' ' CYS 0.256 0.5 OUTLIER 119.14 39.81 0.0 OUTLIER 'General case' 4 C--O 0.306 -48.563 1 O-C-N 100.641 -13.787 . . . . 2.06 106.789 179.967 -139.675 -168.501 -173.443 143.606 1.354 152.663 -158.541 -108.193 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . 0.425 0.1 OUTLIER -60.74 116.18 4.22 Favored 'General case' 4 C--O 0.668 -29.551 4 O-C-N 72.584 -31.323 . . . . 2.54 122.729 179.901 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . 0.649 4.1 tttt -177.36 138.87 0.24 Allowed 'General case' 4 C--O 0.648 -30.57 5 CA-C-N 137.026 9.012 . . . . 5.27 130.608 179.967 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . 1.155 47.4 t0 -128.67 95.8 4.21 Favored 'General case' 4 C--O 0.354 -46.063 3 N-CA-C 157.188 17.107 . . . . 4.35 157.188 -179.998 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 135' ' ' LEU 1.133 4.7 tt -131.49 62.73 1.62 Allowed 'General case' 4 C--O 0.605 -32.858 5 O-C-N 82.293 -25.254 . . . . 5.14 152.084 179.941 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -84.38 -94.54 0.69 Allowed Glycine 4 C--O 0.286 -59.136 5 CA-C-O 48.283 -40.176 . . . . 3.12 173.454 -179.981 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . 1.496 0.0 OUTLIER 163.84 111.6 0.0 OUTLIER 'General case' 4 C--O 0.158 -56.385 5 CA-C-N 166.751 25.276 . . . . 4.7 168.756 179.924 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . 1.318 . . . . . . . 4 N--CA 0.759 -34.979 4 CA-C-N 165.421 21.918 . . . . 6.1 164.335 -179.798 . . . . . . . . 3 1 . 1 stop_ save_