data_1a1z_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 1a1z _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' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.47 -0.567 . . . . 4.5499999999999998 109.47 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.81 163.16 5.7 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 1.48 109.429 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.6 -49.03 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.073 2.515 . . . . 1.0600000000000001 109.881 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.76 -25.26 62.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.221 -0.924 . . . . 2.1099999999999999 109.538 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -75.77 -49.45 18.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.194 -0.942 . . . . 1.71 109.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.9 -30.31 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.922 . . . . 1.24 109.216 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tp -79.15 -35.35 42.19 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.472 -0.936 . . . . 1.0700000000000001 108.472 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 HD21 ' CD2' ' A' ' 46' ' ' PHE . 36.7 mt -66.25 -18.84 65.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.438 -0.789 . . . . 1.0800000000000001 109.924 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -73.56 -27.5 61.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.857 -1.152 . . . . 2.9900000000000002 109.732 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -87.08 -53.64 4.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.127 -0.983 . . . . 1.5800000000000001 109.72 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.1 m -61.0 -30.05 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.197 -0.939 . . . . 2.0099999999999998 109.659 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 t -57.36 -33.3 67.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.419 -0.801 . . . . 1.4199999999999999 110.684 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -28.85 63.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.003 -1.06 . . . . 1.6499999999999999 110.251 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.95 -21.54 47.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.08 -1.012 . . . . 0.91000000000000003 109.565 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.8 -62.41 1.82 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.087 -1.008 . . . . 1.49 109.635 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.29 -174.52 0.17 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.223 -0.923 . . . . 1.95 109.761 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -18.03 56.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.423 -0.798 . . . . 2.0499999999999998 110.349 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -61.71 1.98 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.841 -1.162 . . . . 1.73 109.702 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -48.55 81.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 3.27 109.802 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -32.0 48.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.145 -0.972 . . . . 1.8100000000000001 110.066 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -68.12 -57.59 5.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 1.25 110.233 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.28 -66.01 0.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -0.944 . . . . 1.4299999999999999 110.239 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 4.7 mp -49.44 -25.96 2.96 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.563 -0.711 . . . . 2.0499999999999998 111.024 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -70.49 -53.26 16.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.824 -1.172 . . . . 2.5899999999999999 109.38 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.37 35.71 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.692 -1.363 . . . . 0.47999999999999998 109.692 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -21.14 66.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.245 -1.15 . . . . 2.1099999999999999 109.955 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.581 ' SG ' ' O ' ' A' ' 23' ' ' LEU . 1.8 m -71.95 -29.96 64.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.015 -1.053 . . . . 1.6499999999999999 109.393 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.16 -44.99 71.92 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 1.79 109.461 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.11 45.43 1.3 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.592 -1.403 . . . . 1.7 109.592 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -159.27 -66.72 0.08 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -1.138 . . . . 2.8999999999999999 109.713 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.3 t -80.03 -72.6 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.152 -0.968 . . . . 1.3899999999999999 109.642 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.26 134.2 1.61 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.467 -1.453 . . . . 1.3700000000000001 109.467 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -66.12 -42.53 89.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -1.146 . . . . 3.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -39.35 82.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 3.8399999999999999 109.586 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -67.35 -33.99 76.38 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.233 -0.917 . . . . 2.6099999999999999 109.505 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.87 -29.69 68.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 1.3500000000000001 109.524 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -55.03 -29.5 57.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 2.4100000000000001 109.469 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -95.15 -28.8 14.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 2.9700000000000002 109.603 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.25 141.54 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.906 . . . . 1.3300000000000001 109.476 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -140.99 -47.32 0.4 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 2.6699999999999999 109.165 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.27 -161.07 0.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.403 -0.811 . . . . 1.6699999999999999 109.148 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 46' ' ' PHE . . . -81.08 -43.26 8.86 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.471 -1.451 . . . . 0.39000000000000001 109.471 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.14 -17.49 63.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -1.138 . . . . 1.1499999999999999 110.314 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.06 -59.33 2.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.866 -1.146 . . . . 1.1399999999999999 109.243 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.2 tp -59.28 -35.77 74.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.333 -0.854 . . . . 1.1200000000000001 109.761 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.413 ' CD1' HD12 ' A' ' 63' ' ' LEU . 14.7 m-30 -70.0 -28.2 65.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.151 -0.968 . . . . 2.2000000000000002 109.792 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.2 t -75.47 -32.83 60.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.151 -0.968 . . . . 1.22 109.772 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.6 mtm -72.16 -51.92 19.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.177 -0.952 . . . . 1.73 109.66 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 mt -55.76 -53.41 56.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.215 -0.928 . . . . 1.53 109.439 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.1 tp -55.54 -29.77 59.53 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.219 -0.926 . . . . 1.8100000000000001 109.482 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.08 -61.08 2.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.203 -0.936 . . . . 1.98 109.488 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -167.81 88.85 0.28 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 2.6400000000000001 109.505 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -168.9 -71.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.25 -0.906 . . . . 1.8999999999999999 109.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -173.12 70.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.296 -0.878 . . . . 1.3799999999999999 109.438 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.88 116.48 1.03 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.91 . . . . 1.1100000000000001 109.381 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -171.2 159.44 5.22 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 1.8300000000000001 109.345 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.15 93.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.852 2.368 . . . . 1.52 110.144 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.03 37.01 3.02 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.623 -1.391 . . . . 1.3200000000000001 109.623 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.34 50.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -1.145 . . . . 2.4100000000000001 109.515 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.8 p -113.56 36.75 3.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.286 -0.884 . . . . 1.1100000000000001 109.319 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -69.2 -28.41 66.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.32 -0.862 . . . . 2.1800000000000002 109.709 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.16 -57.13 6.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.266 -0.896 . . . . 1.3300000000000001 109.779 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 46' ' ' PHE . 18.1 tp -56.47 -54.75 42.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -0.907 . . . . 1.1399999999999999 110.031 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -27.17 37.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.937 . . . . 2.5299999999999998 109.978 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -67.28 -49.19 65.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.026 -1.046 . . . . 1.8999999999999999 109.424 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -57.68 -43.21 84.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.257 -0.902 . . . . 1.8100000000000001 109.515 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.74 -33.54 74.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.117 -0.99 . . . . 1.1100000000000001 108.674 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.76 74.55 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.694 -0.854 . . . . 1.1699999999999999 108.694 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -41.14 90.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.456 -0.777 . . . . 1.5600000000000001 109.156 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -65.97 -15.08 62.68 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.163 -0.961 . . . . 2.25 109.579 179.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 6.0 ttt180 72.88 28.88 1.95 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.214 -0.929 . . . . 3.3999999999999999 109.184 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.84 94.6 6.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 2.6299999999999999 109.105 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -80.79 -18.38 47.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 2.8599999999999999 110.504 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.2 -37.97 75.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.73 -1.231 . . . . 1.8200000000000001 110.042 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.04 -51.84 5.13 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.426 -0.954 . . . . 1.3600000000000001 108.426 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.4 -28.07 27.58 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.511 -0.552 . . . . 2.0099999999999998 109.511 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -66.57 -43.31 85.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.918 -1.114 . . . . 3.3700000000000001 109.633 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -38.04 86.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 3.0600000000000001 109.866 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.9 t -57.54 -63.82 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 1.1699999999999999 109.836 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.26 -10.96 60.49 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.281 -0.887 . . . . 1.4299999999999999 110.607 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.65 -29.83 45.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.783 -1.198 . . . . 1.99 109.742 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.56 -25.42 17.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.903 . . . . 2.4900000000000002 110.011 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.095 -1.003 . . . . 2.2799999999999998 110.298 -179.751 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.47 -0.567 . . . . 4.17 109.47 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.81 163.16 5.7 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 1.48 109.429 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.6 -49.03 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.073 2.515 . . . . 0.72 109.881 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.545 ' CE1' HG21 ' A' ' 60' ' ' THR . 1.6 t80 -58.76 -25.26 62.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.221 -0.924 . . . . 1.22 109.538 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 5' ' ' LEU . 4.4 mt -75.77 -49.45 18.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.194 -0.942 . . . . 1.09 109.317 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.9 -30.31 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.922 . . . . 0.59 109.216 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 82' ' ' PHE . 7.4 tp -79.15 -35.35 42.19 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.472 -0.936 . . . . 0.33 108.472 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.609 HD22 ' CD2' ' A' ' 46' ' ' PHE . 36.7 mt -66.25 -18.84 65.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.438 -0.789 . . . . 0.3 109.924 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -73.56 -27.5 61.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.857 -1.152 . . . . 2.18 109.732 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -87.08 -53.64 4.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.127 -0.983 . . . . 1.18 109.72 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 8' ' ' LEU . 5.1 m -61.0 -30.05 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.197 -0.939 . . . . 1.33 109.659 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 t -57.36 -33.3 67.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.419 -0.801 . . . . 1.17 110.684 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -28.85 63.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.003 -1.06 . . . . 1.26 110.251 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.609 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -78.95 -21.54 47.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.08 -1.012 . . . . 0.55 109.565 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.751 HD23 HD13 ' A' ' 75' ' ' LEU . 12.2 mt -61.8 -62.41 1.82 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.087 -1.008 . . . . 0.76 109.635 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.29 -174.52 0.17 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.223 -0.923 . . . . 1.58 109.761 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -18.03 56.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.423 -0.798 . . . . 1.68 110.349 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -61.71 1.98 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.841 -1.162 . . . . 1.27 109.702 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.661 ' OE2' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -59.48 -48.55 81.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 3.27 109.802 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -32.0 48.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.145 -0.972 . . . . 1.17 110.066 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -68.12 -57.59 5.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.75 110.233 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.28 -66.01 0.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -0.944 . . . . 1.43 110.239 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.596 HD21 ' CD2' ' A' ' 67' ' ' LEU . 4.7 mp -49.44 -25.96 2.96 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.563 -0.711 . . . . 1.39 111.024 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 28' ' ' LEU . 4.1 tttt -70.49 -53.26 16.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.824 -1.172 . . . . 2.09 109.38 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.37 35.71 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.692 -1.363 . . . . 0.48 109.692 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -21.14 66.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.245 -1.15 . . . . 1.44 109.955 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.705 ' HB3' HD11 ' A' ' 36' ' ' LEU . 1.8 m -71.95 -29.96 64.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.015 -1.053 . . . . 1.2 109.393 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' CD1' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -54.16 -44.99 71.92 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 1.29 109.461 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.11 45.43 1.3 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.592 -1.403 . . . . 1.6 109.592 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -159.27 -66.72 0.08 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -1.138 . . . . 2.39 109.713 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.3 t -80.03 -72.6 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.152 -0.968 . . . . 0.85 109.642 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.26 134.2 1.61 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.467 -1.453 . . . . 1.37 109.467 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -66.12 -42.53 89.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -1.146 . . . . 2.59 109.517 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -39.35 82.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 3.22 109.586 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -67.35 -33.99 76.38 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.233 -0.917 . . . . 2.01 109.505 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 27' ' ' CYS . 2.0 mt -67.87 -29.69 68.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 0.7 109.524 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -55.03 -29.5 57.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 2.41 109.469 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -95.15 -28.8 14.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 2.49 109.603 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.591 HG11 HD23 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -54.25 141.54 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.906 . . . . 0.61 109.476 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -140.99 -47.32 0.4 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 2.16 109.165 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.27 -161.07 0.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.403 -0.811 . . . . 1.4 109.148 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 46' ' ' PHE . . . -81.08 -43.26 8.86 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.471 -1.451 . . . . 0.34 109.471 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.2 mm? -64.14 -17.49 63.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -1.138 . . . . 0.38 110.314 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.06 -59.33 2.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.866 -1.146 . . . . 1.14 109.243 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HB2' HG21 ' A' ' 39' ' ' VAL . 17.2 tp -59.28 -35.77 74.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.333 -0.854 . . . . 0.33 109.761 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.706 ' HE1' HD11 ' A' ' 63' ' ' LEU . 14.7 m-30 -70.0 -28.2 65.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.151 -0.968 . . . . 1.29 109.792 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.2 t -75.47 -32.83 60.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.151 -0.968 . . . . 0.89 109.772 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.6 mtm -72.16 -51.92 19.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.177 -0.952 . . . . 1.48 109.66 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' HB2' HD13 ' A' ' 55' ' ' LEU . 55.9 mt -55.76 -53.41 56.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.215 -0.928 . . . . 0.89 109.439 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.1 tp -55.54 -29.77 59.53 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.219 -0.926 . . . . 1.25 109.482 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.08 -61.08 2.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.203 -0.936 . . . . 1.98 109.488 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -167.81 88.85 0.28 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 2.22 109.505 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -168.9 -71.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.25 -0.906 . . . . 1.54 109.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -173.12 70.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.296 -0.878 . . . . 1.38 109.438 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.561 ' HG ' HG22 ' A' ' 60' ' ' THR . 0.3 OUTLIER -165.88 116.48 1.03 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.91 . . . . 0.46 109.381 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -171.2 159.44 5.22 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 1.62 109.345 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.15 93.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.852 2.368 . . . . 1.52 110.144 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.03 37.01 3.02 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.623 -1.391 . . . . 1.24 109.623 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.34 50.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -1.145 . . . . 1.86 109.515 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.561 HG22 ' HG ' ' A' ' 55' ' ' LEU . 7.8 p -113.56 36.75 3.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.286 -0.884 . . . . 0.55 109.319 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -69.2 -28.41 66.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.32 -0.862 . . . . 2.18 109.709 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.16 -57.13 6.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.266 -0.896 . . . . 0.66 109.779 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.706 HD11 ' HE1' ' A' ' 46' ' ' PHE . 18.1 tp -56.47 -54.75 42.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -0.907 . . . . 0.38 110.031 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.458 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -54.59 -27.17 37.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.937 . . . . 1.99 109.978 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -67.28 -49.19 65.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.026 -1.046 . . . . 1.9 109.424 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 63' ' ' LEU . 3.1 mt -57.68 -43.21 84.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.257 -0.902 . . . . 1.23 109.515 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.658 HD22 ' OE2' ' A' ' 19' ' ' GLU . 6.4 mt -61.74 -33.54 74.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.117 -0.99 . . . . 0.39 108.674 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.76 74.55 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.694 -0.854 . . . . 0.42 108.694 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -41.14 90.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.456 -0.777 . . . . 1.17 109.156 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD12 ' HG2' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -65.97 -15.08 62.68 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.163 -0.961 . . . . 1.73 109.579 179.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 6.0 ttt180 72.88 28.88 1.95 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.214 -0.929 . . . . 2.82 109.184 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.84 94.6 6.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 2.12 109.105 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -80.79 -18.38 47.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 2.37 110.504 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.2 -37.97 75.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.73 -1.231 . . . . 1.82 110.042 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.751 HD13 HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.04 -51.84 5.13 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.426 -0.954 . . . . 0.71 108.426 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.686 HD13 ' O ' ' A' ' 76' ' ' LEU . 3.1 tm? -53.4 -28.07 27.58 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.511 -0.552 . . . . 1.4 109.511 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -66.57 -43.31 85.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.918 -1.114 . . . . 2.85 109.633 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -38.04 86.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 2.57 109.866 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.482 HG21 HD12 ' A' ' 67' ' ' LEU . 33.9 t -57.54 -63.82 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 0.42 109.836 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.26 -10.96 60.49 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.281 -0.887 . . . . 1.43 110.607 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.65 -29.83 45.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.783 -1.198 . . . . 1.99 109.742 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.615 ' HB2' HD22 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -53.56 -25.42 17.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.903 . . . . 1.62 110.011 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.095 -1.003 . . . . 2.28 110.298 -179.751 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.47 -0.567 . . . . 4.17 109.47 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.81 163.16 5.7 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 1.48 109.429 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.6 -49.03 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.073 2.515 . . . . 0.72 109.881 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.545 ' CE1' HG21 ' A' ' 60' ' ' THR . 1.6 t80 -58.76 -25.26 62.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.221 -0.924 . . . . 1.22 109.538 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 5' ' ' LEU . 4.4 mt -75.77 -49.45 18.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.194 -0.942 . . . . 1.09 109.317 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.9 -30.31 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.922 . . . . 0.59 109.216 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 82' ' ' PHE . 7.4 tp -79.15 -35.35 42.19 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.472 -0.936 . . . . 0.33 108.472 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.609 HD22 ' CD2' ' A' ' 46' ' ' PHE . 36.7 mt -66.25 -18.84 65.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.438 -0.789 . . . . 0.3 109.924 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -73.56 -27.5 61.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.857 -1.152 . . . . 2.18 109.732 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -87.08 -53.64 4.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.127 -0.983 . . . . 1.18 109.72 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 8' ' ' LEU . 5.1 m -61.0 -30.05 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.197 -0.939 . . . . 1.33 109.659 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 t -57.36 -33.3 67.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.419 -0.801 . . . . 1.17 110.684 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -28.85 63.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.003 -1.06 . . . . 1.26 110.251 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.609 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -78.95 -21.54 47.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.08 -1.012 . . . . 0.55 109.565 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.751 HD23 HD13 ' A' ' 75' ' ' LEU . 12.2 mt -61.8 -62.41 1.82 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.087 -1.008 . . . . 0.76 109.635 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.29 -174.52 0.17 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.223 -0.923 . . . . 1.58 109.761 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -18.03 56.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.423 -0.798 . . . . 1.68 110.349 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -61.71 1.98 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.841 -1.162 . . . . 1.27 109.702 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.661 ' OE2' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -59.48 -48.55 81.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 3.27 109.802 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -32.0 48.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.145 -0.972 . . . . 1.17 110.066 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -68.12 -57.59 5.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.75 110.233 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.28 -66.01 0.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -0.944 . . . . 1.43 110.239 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.596 HD21 ' CD2' ' A' ' 67' ' ' LEU . 4.7 mp -49.44 -25.96 2.96 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.563 -0.711 . . . . 1.39 111.024 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 28' ' ' LEU . 4.1 tttt -70.49 -53.26 16.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.824 -1.172 . . . . 2.09 109.38 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.37 35.71 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.692 -1.363 . . . . 0.48 109.692 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -21.14 66.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.245 -1.15 . . . . 1.44 109.955 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.705 ' HB3' HD11 ' A' ' 36' ' ' LEU . 1.8 m -71.95 -29.96 64.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.015 -1.053 . . . . 1.2 109.393 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' CD1' HD13 ' A' ' 36' ' ' LEU . 1.3 mp -54.16 -44.99 71.92 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 1.29 109.461 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.11 45.43 1.3 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.592 -1.403 . . . . 1.6 109.592 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -159.27 -66.72 0.08 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -1.138 . . . . 2.39 109.713 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.3 t -80.03 -72.6 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.152 -0.968 . . . . 0.85 109.642 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.26 134.2 1.61 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.467 -1.453 . . . . 1.37 109.467 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -66.12 -42.53 89.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -1.146 . . . . 2.59 109.517 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -39.35 82.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 3.22 109.586 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -67.35 -33.99 76.38 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.233 -0.917 . . . . 2.01 109.505 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 27' ' ' CYS . 2.0 mt -67.87 -29.69 68.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 0.7 109.524 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -55.03 -29.5 57.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 2.41 109.469 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -95.15 -28.8 14.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 2.49 109.603 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.591 HG11 HD23 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -54.25 141.54 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.906 . . . . 0.61 109.476 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -140.99 -47.32 0.4 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 2.16 109.165 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.27 -161.07 0.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.403 -0.811 . . . . 1.4 109.148 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 46' ' ' PHE . . . -81.08 -43.26 8.86 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.471 -1.451 . . . . 0.34 109.471 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.2 mm? -64.14 -17.49 63.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -1.138 . . . . 0.38 110.314 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.06 -59.33 2.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.866 -1.146 . . . . 1.14 109.243 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HB2' HG21 ' A' ' 39' ' ' VAL . 17.2 tp -59.28 -35.77 74.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.333 -0.854 . . . . 0.33 109.761 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.706 ' HE1' HD11 ' A' ' 63' ' ' LEU . 14.7 m-30 -70.0 -28.2 65.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.151 -0.968 . . . . 1.29 109.792 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.2 t -75.47 -32.83 60.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.151 -0.968 . . . . 0.89 109.772 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.6 mtm -72.16 -51.92 19.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.177 -0.952 . . . . 1.48 109.66 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' HB2' HD13 ' A' ' 55' ' ' LEU . 55.9 mt -55.76 -53.41 56.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.215 -0.928 . . . . 0.89 109.439 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.1 tp -55.54 -29.77 59.53 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.219 -0.926 . . . . 1.25 109.482 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.08 -61.08 2.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.203 -0.936 . . . . 1.98 109.488 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -167.81 88.85 0.28 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 2.22 109.505 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -168.9 -71.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.25 -0.906 . . . . 1.54 109.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -173.12 70.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.296 -0.878 . . . . 1.38 109.438 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.561 ' HG ' HG22 ' A' ' 60' ' ' THR . 0.3 OUTLIER -165.88 116.48 1.03 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.91 . . . . 0.46 109.381 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -171.2 159.44 5.22 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 1.62 109.345 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.15 93.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.852 2.368 . . . . 1.52 110.144 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.03 37.01 3.02 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.623 -1.391 . . . . 1.24 109.623 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.34 50.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -1.145 . . . . 1.86 109.515 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.561 HG22 ' HG ' ' A' ' 55' ' ' LEU . 7.8 p -113.56 36.75 3.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.286 -0.884 . . . . 0.55 109.319 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -69.2 -28.41 66.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.32 -0.862 . . . . 2.18 109.709 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.16 -57.13 6.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.266 -0.896 . . . . 0.66 109.779 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.706 HD11 ' HE1' ' A' ' 46' ' ' PHE . 18.1 tp -56.47 -54.75 42.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -0.907 . . . . 0.38 110.031 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.458 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -54.59 -27.17 37.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.937 . . . . 1.99 109.978 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -67.28 -49.19 65.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.026 -1.046 . . . . 1.9 109.424 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 63' ' ' LEU . 3.1 mt -57.68 -43.21 84.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.257 -0.902 . . . . 1.23 109.515 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.658 HD22 ' OE2' ' A' ' 19' ' ' GLU . 6.4 mt -61.74 -33.54 74.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.117 -0.99 . . . . 0.39 108.674 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.76 74.55 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.694 -0.854 . . . . 0.42 108.694 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -41.14 90.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.456 -0.777 . . . . 1.17 109.156 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD12 ' HG2' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -65.97 -15.08 62.68 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.163 -0.961 . . . . 1.73 109.579 179.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 6.0 ttt180 72.88 28.88 1.95 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.214 -0.929 . . . . 2.82 109.184 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.84 94.6 6.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 2.12 109.105 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -80.79 -18.38 47.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 2.37 110.504 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.2 -37.97 75.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.73 -1.231 . . . . 1.82 110.042 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.751 HD13 HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.04 -51.84 5.13 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.426 -0.954 . . . . 0.71 108.426 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.686 HD13 ' O ' ' A' ' 76' ' ' LEU . 3.1 tm? -53.4 -28.07 27.58 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.511 -0.552 . . . . 1.4 109.511 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -66.57 -43.31 85.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.918 -1.114 . . . . 2.85 109.633 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -38.04 86.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 2.57 109.866 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.482 HG21 HD12 ' A' ' 67' ' ' LEU . 33.9 t -57.54 -63.82 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 0.42 109.836 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.26 -10.96 60.49 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.281 -0.887 . . . . 1.43 110.607 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.65 -29.83 45.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.783 -1.198 . . . . 1.99 109.742 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.615 ' HB2' HD22 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -53.56 -25.42 17.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.903 . . . . 1.62 110.011 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.095 -1.003 . . . . 2.28 110.298 -179.751 . . . . . . . . 0 0 . 1 stop_ save_