data_1aj4_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 1aj4 _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.156 0.503 . . . . 6.1600000000000001 110.264 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.66 155.57 21.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.335 -0.853 . . . . 4.5999999999999996 110.149 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.3 mt -113.96 -58.48 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 3.3700000000000001 110.163 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.576 ' CD1' HG11 ' A' ' 79' ' ' VAL . 28.4 m-85 -83.23 -50.41 8.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.325 -0.859 . . . . 3.0099999999999998 110.163 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -46.45 -36.72 6.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 3.71 110.19 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 10' ' ' GLU . . . -62.76 -32.83 74.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.226 -0.921 . . . . 1.74 110.19 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.52 ' HB1' ' CG2' ' A' ' 82' ' ' VAL . . . -81.81 -34.18 30.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 1.6399999999999999 110.443 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.493 HG21 ' CG2' ' A' ' 82' ' ' VAL . 82.5 t -79.16 -34.89 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 1.3700000000000001 110.734 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 7' ' ' ALA . 15.6 pt-20 -56.61 -16.54 6.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.095 -1.003 . . . . 2.6099999999999999 110.231 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 20.5 mt-30 -97.84 -12.16 22.46 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 3.02 110.185 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 9' ' ' VAL . 8.2 mt -43.55 165.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.203 -0.935 . . . . 2.1800000000000002 110.192 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 16' ' ' GLN . 2.5 p -99.16 148.49 24.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 2.25 110.109 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.21 -37.82 3.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.219 -0.926 . . . . 3.3100000000000001 110.275 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 19' ' ' GLU . 23.0 mt-10 -65.92 -18.54 65.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.159 -0.963 . . . . 2.8999999999999999 110.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.56 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 3.9 mm-40 -86.09 -53.15 5.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.233 -0.917 . . . . 2.8999999999999999 110.215 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -57.74 -49.31 76.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.214 -0.929 . . . . 2.5699999999999998 110.287 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -57.69 -46.51 84.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.895 . . . . 2.71 110.219 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.05 -38.71 86.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.163 -0.961 . . . . 2.5299999999999998 110.134 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD2' ' O ' ' A' ' 16' ' ' GLN . 17.6 m-85 -74.01 -64.11 1.08 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.303 -0.873 . . . . 4.6200000000000001 110.149 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -48.45 -32.95 8.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.172 -0.955 . . . . 3.2999999999999998 110.002 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -76.22 -53.52 8.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -0.867 . . . . 1.3600000000000001 110.072 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' HB3' ' CE ' ' A' ' 47' ' ' MET . . . -48.05 -51.84 22.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.213 -0.93 . . . . 1.24 109.983 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 3.8 t80 -51.41 -49.67 61.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 2.5499999999999998 109.848 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.458 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -64.61 -13.71 54.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.329 -0.857 . . . . 1.55 109.902 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 22' ' ' ALA . 35.5 mt -101.16 -21.98 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.369 -0.832 . . . . 1.5800000000000001 110.108 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' CG ' HG21 ' A' ' 44' ' ' VAL . 52.0 m-85 -99.36 -20.7 16.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.277 -0.889 . . . . 3.9399999999999999 110.183 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 1.4 t -76.33 -11.53 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.318 -0.863 . . . . 2.0299999999999998 109.765 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 HD22 ' O ' ' A' ' 25' ' ' ASP . 3.3 mm? -50.79 -30.33 13.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.319 -0.863 . . . . 2.9500000000000002 109.839 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.74 4.68 59.61 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 109.257 -1.537 . . . . 1.9099999999999999 109.257 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . -77.51 -160.07 0.17 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -1.1 . . . . 1.49 110.145 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -146.3 -38.25 0.23 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 3.29 110.128 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.8 11.23 36.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 4.1200000000000001 110.171 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.66 40.45 12.5 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.684 -1.367 . . . . 2.0499999999999998 109.684 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -152.21 173.75 14.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.256 -1.144 . . . . 1.27 109.859 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' CG2' ' HB3' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -132.98 102.7 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.088 -1.008 . . . . 1.9399999999999999 110.496 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 71' ' ' THR . 42.0 p -79.53 177.84 8.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 1.8100000000000001 109.909 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.2 OUTLIER -43.4 -25.88 0.17 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 1.75 110.229 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 37' ' ' SER . 9.6 tptt -77.5 -33.9 54.26 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 3.2000000000000002 110.189 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.503 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 17.3 mm-40 -97.35 -34.26 11.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.929 . . . . 2.3199999999999998 110.1 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -73.73 -11.25 60.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 2.5600000000000001 110.253 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.86 -33.57 80.21 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.589 -1.404 . . . . 1.1399999999999999 109.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -81.06 -17.2 50.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -1.156 . . . . 3.29 110.23 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.566 HG21 ' CG ' ' A' ' 27' ' ' PHE . 39.5 t -85.48 -27.14 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.271 -0.893 . . . . 2.4300000000000002 110.342 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.418 ' HE2' ' HE1' ' A' ' 80' ' ' MET . 6.2 mtt -74.85 -50.5 16.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.149 -0.969 . . . . 3.7599999999999998 110.331 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -27.88 69.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.259 -0.901 . . . . 4.1100000000000003 110.493 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.509 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.11 -34.18 38.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.174 -0.954 . . . . 2.5499999999999998 110.247 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.509 ' N ' ' HG3' ' A' ' 47' ' ' MET . 61.4 mt -76.97 -82.31 0.08 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 2.77 110.267 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -174.64 54.77 0.13 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.568 -1.413 . . . . 2.2200000000000002 109.568 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 19.8 mt-30 -141.11 148.31 39.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -1.153 . . . . 2.2400000000000002 110.177 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.523 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 0.9 OUTLIER -127.57 50.43 5.38 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.216 -0.928 . . . . 3.9500000000000002 110.264 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 51' ' ' ASN . 45.8 Cg_endo -72.38 162.05 42.58 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.021 1.538 . . . . 3.5600000000000001 110.512 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -102.64 170.51 6.23 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.193 -0.942 . . . . 1.9199999999999999 110.11 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.94 -36.41 4.5 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.047 1.551 . . . . 1.3799999999999999 110.43 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.97 -43.6 74.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 3.1400000000000001 110.164 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -76.83 -35.21 57.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 2.5 110.159 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -45.02 -64.42 0.71 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.251 -0.906 . . . . 1.98 110.134 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -47.15 -37.94 10.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.198 -0.939 . . . . 2.1099999999999999 110.178 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 1.6 tt0 -69.09 -41.84 76.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.266 -0.896 . . . . 2.77 110.18 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -51.98 60.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 2.4900000000000002 110.253 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.51 ' CG2' ' HA2' ' A' ' 70' ' ' GLY . 1.2 mp -66.83 -58.93 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.159 -0.963 . . . . 1.99 110.025 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 4.8 t0 -42.56 -26.59 0.12 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.222 -0.924 . . . . 2.1299999999999999 110.373 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -85.33 -47.98 9.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.26 -0.9 . . . . 2.9300000000000002 110.367 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.6 m -82.55 -24.44 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.117 -0.99 . . . . 2.2200000000000002 110.247 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 15.5 t0 -65.73 129.97 41.64 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.295 -0.878 . . . . 2.6099999999999999 110.231 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -73.49 -7.79 53.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 6.6699999999999999 110.185 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' ' 69' ' ' SER . 8.3 p-10 -125.1 -9.38 7.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.286 -0.884 . . . . 4.5499999999999998 110.27 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 62' ' ' ASP . . . 59.78 71.1 0.83 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.496 -1.442 . . . . 3.79 109.496 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.451 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 8.8 p -126.44 -27.43 3.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.197 -1.178 . . . . 3.3399999999999999 110.442 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.51 ' HA2' ' CG2' ' A' ' 61' ' ' ILE . . . 103.46 -4.92 47.85 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.566 -1.414 . . . . 1.6299999999999999 109.566 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.467 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 66.3 p -90.59 155.87 18.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -1.17 . . . . 1.75 110.41 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 76' ' ' GLU . 48.0 t -148.92 123.88 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.303 -0.873 . . . . 1.74 110.122 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -107.56 -164.27 0.96 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.215 -0.928 . . . . 2.5699999999999998 110.315 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 8.1 t80 -50.66 -28.18 8.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.305 -0.872 . . . . 3.9900000000000002 110.216 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.468 ' O ' HG21 ' A' ' 79' ' ' VAL . 1.4 t70 -84.94 -65.9 0.96 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -0.917 . . . . 1.5700000000000001 110.159 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HB2' HG11 ' A' ' 72' ' ' VAL . 12.4 mt-10 -46.98 -29.91 2.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.22 -0.925 . . . . 2.1200000000000001 110.163 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' HD22 ' A' ' 41' ' ' LEU . 15.1 t80 -64.93 -64.09 0.95 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.953 . . . . 2.8700000000000001 109.981 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.43 ' HB3' HG23 ' A' ' 9' ' ' VAL . 17.2 mt -54.63 -18.81 4.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.163 -0.961 . . . . 2.23 109.845 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 5' ' ' TYR . 97.4 t -84.51 -22.14 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.373 -0.83 . . . . 1.3500000000000001 110.007 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.44 ' HE3' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -75.83 -9.29 58.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 3.2799999999999998 110.269 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -103.7 -15.8 15.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.171 -0.956 . . . . 1.74 109.374 179.394 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.52 ' CG2' ' HB1' ' A' ' 8' ' ' ALA . 24.8 t -74.33 -31.1 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.399 -0.813 . . . . 1.97 109.595 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.86 -21.23 21.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.443 -0.786 . . . . 2.8999999999999999 110.063 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t -93.31 -6.46 47.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 1.76 110.208 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 81' ' ' MET . 2.3 mtt -104.58 -64.21 1.14 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 0.0 110.18 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -129.66 -173.83 3.13 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.171 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' ' 86' ' ' LYS . 15.2 t70 59.12 113.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.396 -0.815 . . . . 0.0 110.285 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 89' ' ' SER . 0.3 OUTLIER 49.61 65.22 1.47 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.402 -0.811 . . . . 0.0 110.366 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 28.3 t -177.57 -52.86 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.245 -0.91 . . . . 0.0 110.402 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 174.43 0.15 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.148 -0.97 . . . . 7.7800000000000002 110.273 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.28 166.11 11.71 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.627 -1.389 . . . . 3.5800000000000001 109.627 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.425 ' HA ' ' CG ' ' A' ' 96' ' ' GLU . 3.2 tttm -179.27 101.19 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.317 -1.107 . . . . 3.7999999999999998 109.913 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.0 m -146.98 -124.17 0.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.303 -0.873 . . . . 3.0099999999999998 109.866 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -23.75 63.09 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.919 -1.113 . . . . 2.8300000000000001 110.191 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -78.54 -40.43 34.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.113 -0.992 . . . . 2.7200000000000002 110.184 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -61.85 -27.59 68.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.343 -0.848 . . . . 2.7000000000000002 110.348 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.9 mt -74.52 -42.51 58.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.261 -0.9 . . . . 2.21 110.241 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.424 ' CB ' ' CE1' ' A' ' 150' ' ' TYR . 3.3 p -66.5 -49.68 65.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.6699999999999999 110.32 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 103' ' ' MET . 44.7 m-20 -56.9 -46.94 81.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 2.1800000000000002 110.294 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 104' ' ' PHE . 15.6 mt -55.5 -33.37 63.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 2.0499999999999998 110.36 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 9.3 t80 -68.29 -56.66 7.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 2.2200000000000002 110.427 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -69.91 -10.94 60.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.241 -0.912 . . . . 4.2699999999999996 110.467 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -96.44 -12.79 23.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.182 -0.949 . . . . 2.0800000000000001 110.259 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.573 ' CD1' ' HA ' ' A' ' 120' ' ' MET . 5.8 m-85 -113.89 -10.93 12.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -0.908 . . . . 2.8300000000000001 110.457 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.478 ' HA ' HD11 ' A' ' 112' ' ' ILE . 48.9 t0 -56.43 88.5 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.103 -0.998 . . . . 0.73999999999999999 110.316 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.453 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 2.1 mmpt? -62.28 -43.05 99.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.24 -0.912 . . . . 3.21 110.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.421 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 2.7 t-20 -73.88 -15.75 61.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 2.3799999999999999 109.626 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.93 65.05 1.17 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 1.3300000000000001 110.394 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' CG ' ' OD1' ' A' ' 107' ' ' ASN . 7.8 p-10 -134.49 11.94 3.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 1.2 110.189 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.518 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 98.9 -27.07 21.61 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.499 -1.44 . . . . 0.68999999999999995 109.499 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 111' ' ' TYR . 11.5 m-85 -130.02 174.24 9.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.386 -1.067 . . . . 2.3300000000000001 109.864 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 105' ' ' ASP . 1.4 mt -135.0 138.61 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.113 -0.992 . . . . 1.1599999999999999 110.672 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.465 ' OD1' ' HG3' ' A' ' 116' ' ' GLU . 5.0 p30 -104.1 -172.98 2.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.45 -0.781 . . . . 1.5800000000000001 109.968 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.43 -42.08 92.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.098 -1.001 . . . . 2.1400000000000001 110.683 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.94 -27.32 63.28 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.208 -0.932 . . . . 2.6699999999999999 110.513 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.465 ' CB ' HG21 ' A' ' 112' ' ' ILE . 48.6 mt-10 -86.47 -44.68 11.79 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.211 -0.931 . . . . 1.4299999999999999 110.514 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.7 tp -58.15 -34.57 70.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.168 -0.957 . . . . 2.1499999999999999 109.966 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -59.2 -31.7 69.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.322 -0.861 . . . . 2.2799999999999998 110.064 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.0 mt -79.08 -37.33 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.352 -0.842 . . . . 1.55 110.153 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.573 ' HA ' ' CD1' ' A' ' 104' ' ' PHE . 4.3 ttt -58.57 -39.31 79.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.329 -0.857 . . . . 3.1600000000000001 110.129 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 125' ' ' GLY . 55.1 mt -74.13 -30.81 62.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 2.3300000000000001 109.806 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -27.76 68.23 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.616 -0.833 . . . . 2.2400000000000002 109.232 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.81 -14.01 60.29 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.912 -0.715 . . . . 1.8 109.272 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.7 p -140.73 21.42 2.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 2.5600000000000001 110.487 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -151.55 172.66 31.0 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.765 -1.334 . . . . 2.5800000000000001 109.765 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.95 -154.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.38 -1.071 . . . . 5.0199999999999996 110.071 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.6 p -100.09 91.61 4.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.21 -0.932 . . . . 4.21 110.245 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 129' ' ' THR . 8.7 mm -89.67 167.41 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.913 . . . . 3.0699999999999998 110.093 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.476 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 17.5 p -101.01 162.29 12.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.23 -0.919 . . . . 2.1299999999999999 110.146 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 134' ' ' GLU . 1.4 pt-20 -57.97 -18.49 23.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.283 -0.886 . . . . 2.77 110.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.2 -45.86 83.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.892 . . . . 2.2799999999999998 110.315 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.413 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 17.1 m-20 -75.81 -41.31 53.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.871 . . . . 1.95 110.299 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 59.0 mt -76.47 -1.96 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.349 -0.845 . . . . 1.6899999999999999 110.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -76.88 -38.62 53.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.182 -0.949 . . . . 2.27 110.137 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.58 -21.25 38.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.335 -0.853 . . . . 2.1600000000000001 110.154 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.485 ' N ' HD21 ' A' ' 136' ' ' LEU . 1.6 mm? -66.34 -45.2 81.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 2.1600000000000001 110.139 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.438 ' HE3' HD11 ' A' ' 148' ' ' ILE . 27.1 tpp -71.5 -31.94 67.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.266 -0.896 . . . . 1.9399999999999999 110.093 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -62.96 -56.55 16.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.319 -0.863 . . . . 3.7599999999999998 110.246 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.408 ' CG ' HG11 ' A' ' 160' ' ' VAL . 55.3 t0 -73.07 -20.06 61.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.893 . . . . 2.3300000000000001 110.239 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.64 -12.19 84.49 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.46 -1.456 . . . . 0.98999999999999999 109.46 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.07 113.39 23.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.254 -1.145 . . . . 0.92000000000000004 110.238 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -66.97 -19.53 65.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.167 -0.958 . . . . 2.4300000000000002 110.208 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 145' ' ' ASP . 24.4 p-10 -132.48 7.22 4.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.191 -0.943 . . . . 1.72 110.162 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 47.97 72.18 0.29 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.291 -0.881 . . . . 2.6099999999999999 110.434 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.48 ' HB3' ' ND2' ' A' ' 143' ' ' ASN . 13.1 p-10 -123.45 -17.66 6.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.223 -0.923 . . . . 1.8500000000000001 110.261 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.7 -43.52 1.66 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.6 -1.4 . . . . 0.79000000000000004 109.6 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.442 ' HB3' ' HB3' ' A' ' 111' ' ' TYR . 10.2 mtm-85 -99.24 152.59 19.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -1.153 . . . . 2.9300000000000002 110.327 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.438 HD11 ' HE3' ' A' ' 137' ' ' MET . 4.5 mt -125.1 125.4 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.388 -0.82 . . . . 1.1299999999999999 109.576 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.57 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.4 p-10 -101.63 -170.72 1.87 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 2.1600000000000001 110.403 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.43 ' O ' HD22 ' A' ' 154' ' ' LEU . 15.4 t80 -65.92 -24.1 66.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 3.1400000000000001 110.68 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.463 ' HB2' ' OD2' ' A' ' 149' ' ' ASP . 8.1 m-20 -78.64 -62.2 1.77 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.188 -0.945 . . . . 2.0800000000000001 110.329 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -57.45 -39.04 75.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.196 -0.94 . . . . 1.3899999999999999 110.423 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 13.6 t80 -59.93 -35.76 75.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 2.3500000000000001 110.336 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 151' ' ' ASP . 0.4 OUTLIER -52.56 -45.07 66.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 2.3399999999999999 110.245 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -76.19 -48.6 19.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 2.4700000000000002 110.265 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 160' ' ' VAL . 2.1 t80 -44.52 -34.14 1.99 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 2.6000000000000001 110.472 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.412 ' HE1' ' CZ ' ' A' ' 153' ' ' PHE . 33.7 tpp -92.28 -31.86 15.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.179 -0.951 . . . . 1.95 110.581 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -30.28 70.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.116 -0.99 . . . . 2.5600000000000001 110.527 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.405 ' C ' HG23 ' A' ' 160' ' ' VAL . . . 179.78 143.32 5.46 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.681 -1.368 . . . . 1.3799999999999999 109.681 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -158.08 -54.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.188 -1.183 . . . . 2.3700000000000001 109.837 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.92 -1.038 . . . . 5.0300000000000002 110.266 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.156 0.503 . . . . 5.75 110.264 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.66 155.57 21.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.335 -0.853 . . . . 4.6 110.149 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.3 mt -113.96 -58.48 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 2.8 110.163 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.733 ' HA ' HG11 ' A' ' 82' ' ' VAL . 28.4 m-85 -83.23 -50.41 8.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.325 -0.859 . . . . 2.2 110.163 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -46.45 -36.72 6.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 3.24 110.19 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.504 ' HA ' ' OE2' ' A' ' 10' ' ' GLU . . . -62.76 -32.83 74.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.226 -0.921 . . . . 1.36 110.19 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.734 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -81.81 -34.18 30.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 1.01 110.443 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.665 HG23 ' CG2' ' A' ' 82' ' ' VAL . 82.5 t -79.16 -34.89 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 1.05 110.734 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' OE2' ' HA ' ' A' ' 7' ' ' ALA . 15.6 pt-20 -56.61 -16.54 6.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.095 -1.003 . . . . 2.61 110.231 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 20.5 mt-30 -97.84 -12.16 22.46 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 2.96 110.185 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.644 HD12 HG13 ' A' ' 9' ' ' VAL . 8.2 mt -43.55 165.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.203 -0.935 . . . . 1.68 110.192 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 2.5 p -99.16 148.49 24.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 1.89 110.109 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.21 -37.82 3.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.219 -0.926 . . . . 3.31 110.275 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 19' ' ' GLU . 23.0 mt-10 -65.92 -18.54 65.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.159 -0.963 . . . . 2.9 110.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.56 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 3.9 mm-40 -86.09 -53.15 5.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.233 -0.917 . . . . 2.61 110.215 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 15.1 mmtp -57.74 -49.31 76.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.214 -0.929 . . . . 2.06 110.287 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -57.69 -46.51 84.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.895 . . . . 2.15 110.219 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.05 -38.71 86.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.163 -0.961 . . . . 2.53 110.134 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD2' ' O ' ' A' ' 16' ' ' GLN . 17.6 m-85 -74.01 -64.11 1.08 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.303 -0.873 . . . . 3.69 110.149 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -48.45 -32.95 8.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.172 -0.955 . . . . 2.88 110.002 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -76.22 -53.52 8.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -0.867 . . . . 0.76 110.072 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.644 ' HB1' ' HE2' ' A' ' 27' ' ' PHE . . . -48.05 -51.84 22.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.213 -0.93 . . . . 0.64 109.983 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 28' ' ' VAL . 3.8 t80 -51.41 -49.67 61.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 1.72 109.848 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.427 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -64.61 -13.71 54.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.329 -0.857 . . . . 1.55 109.902 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 23' ' ' ALA . 35.5 mt -101.16 -21.98 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.369 -0.832 . . . . 0.94 110.108 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.978 ' CD2' HG22 ' A' ' 44' ' ' VAL . 52.0 m-85 -99.36 -20.7 16.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.277 -0.889 . . . . 3.21 110.183 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.664 HG21 ' CZ ' ' A' ' 24' ' ' PHE . 1.4 t -76.33 -11.53 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.318 -0.863 . . . . 1.47 109.765 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 25' ' ' ASP . 3.3 mm? -50.79 -30.33 13.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.319 -0.863 . . . . 2.45 109.839 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.74 4.68 59.61 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 109.257 -1.537 . . . . 1.89 109.257 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.51 -160.07 0.17 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -1.1 . . . . 1.41 110.145 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -146.3 -38.25 0.23 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 3.29 110.128 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.8 11.23 36.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 4.12 110.171 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.66 40.45 12.5 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.684 -1.367 . . . . 1.4 109.684 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.21 173.75 14.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.256 -1.144 . . . . 1.04 109.859 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.004 HG22 ' HB3' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -132.98 102.7 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.088 -1.008 . . . . 1.36 110.496 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' A' ' 71' ' ' THR . 42.0 p -79.53 177.84 8.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 1.52 109.909 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.2 OUTLIER -43.4 -25.88 0.17 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 1.55 110.229 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 37' ' ' SER . 9.6 tptt -77.5 -33.9 54.26 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 2.8 110.189 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 1.004 ' HB3' HG22 ' A' ' 36' ' ' ILE . 17.3 mm-40 -97.35 -34.26 11.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.929 . . . . 2.32 110.1 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.801 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -73.73 -11.25 60.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 1.94 110.253 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.86 -33.57 80.21 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.589 -1.404 . . . . 0.91 109.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -81.06 -17.2 50.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -1.156 . . . . 2.98 110.23 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.978 HG22 ' CD2' ' A' ' 27' ' ' PHE . 39.5 t -85.48 -27.14 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.271 -0.893 . . . . 1.8 110.342 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.2 mtt -74.85 -50.5 16.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.149 -0.969 . . . . 3.35 110.331 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -27.88 69.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.259 -0.901 . . . . 3.64 110.493 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.491 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.11 -34.18 38.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.174 -0.954 . . . . 2.01 110.247 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD13 ' HE1' ' A' ' 20' ' ' PHE . 61.4 mt -76.97 -82.31 0.08 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 2.15 110.267 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -174.64 54.77 0.13 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.568 -1.413 . . . . 1.87 109.568 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 19.8 mt-30 -141.11 148.31 39.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -1.153 . . . . 1.89 110.177 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.523 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 0.9 OUTLIER -127.57 50.43 5.38 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.216 -0.928 . . . . 3.29 110.264 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 51' ' ' ASN . 45.8 Cg_endo -72.38 162.05 42.58 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.021 1.538 . . . . 2.97 110.512 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.531 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -102.64 170.51 6.23 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.193 -0.942 . . . . 1.42 110.11 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.94 -36.41 4.5 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.047 1.551 . . . . 1.19 110.43 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.97 -43.6 74.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 3.14 110.164 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -76.83 -35.21 57.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 2.5 110.159 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -45.02 -64.42 0.71 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.251 -0.906 . . . . 1.3 110.134 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -47.15 -37.94 10.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.198 -0.939 . . . . 1.97 110.178 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 1.6 tt0 -69.09 -41.84 76.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.266 -0.896 . . . . 2.77 110.18 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -51.98 60.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 2.02 110.253 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.792 HG21 ' HA2' ' A' ' 70' ' ' GLY . 1.2 mp -66.83 -58.93 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.159 -0.963 . . . . 1.4 110.025 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 4.8 t0 -42.56 -26.59 0.12 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.222 -0.924 . . . . 2.13 110.373 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -85.33 -47.98 9.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.26 -0.9 . . . . 2.93 110.367 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 61' ' ' ILE . 11.6 m -82.55 -24.44 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.117 -0.99 . . . . 1.69 110.247 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 15.5 t0 -65.73 129.97 41.64 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.295 -0.878 . . . . 2.61 110.231 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -73.49 -7.79 53.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 6.67 110.185 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 69' ' ' SER . 8.3 p-10 -125.1 -9.38 7.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.286 -0.884 . . . . 3.83 110.27 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 62' ' ' ASP . . . 59.78 71.1 0.83 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.496 -1.442 . . . . 3.17 109.496 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.448 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 8.8 p -126.44 -27.43 3.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.197 -1.178 . . . . 2.71 110.442 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.792 ' HA2' HG21 ' A' ' 61' ' ' ILE . . . 103.46 -4.92 47.85 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.566 -1.414 . . . . 1.59 109.566 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 66.3 p -90.59 155.87 18.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -1.17 . . . . 1.45 110.41 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' A' ' 76' ' ' GLU . 48.0 t -148.92 123.88 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.303 -0.873 . . . . 1.13 110.122 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -107.56 -164.27 0.96 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.215 -0.928 . . . . 2.57 110.315 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 78' ' ' LEU . 8.1 t80 -50.66 -28.18 8.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.305 -0.872 . . . . 3.18 110.216 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.554 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.4 t70 -84.94 -65.9 0.96 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -0.917 . . . . 1.57 110.159 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.672 ' HB2' HG13 ' A' ' 72' ' ' VAL . 12.4 mt-10 -46.98 -29.91 2.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.22 -0.925 . . . . 1.94 110.163 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.689 ' CD1' HD21 ' A' ' 41' ' ' LEU . 15.1 t80 -64.93 -64.09 0.95 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.953 . . . . 2.03 109.981 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 74' ' ' PHE . 17.2 mt -54.63 -18.81 4.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.163 -0.961 . . . . 1.55 109.845 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.574 HG13 ' CG ' ' A' ' 5' ' ' TYR . 97.4 t -84.51 -22.14 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.373 -0.83 . . . . 0.73 110.007 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.416 ' CE ' HD12 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -75.83 -9.29 58.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 2.77 110.269 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -103.7 -15.8 15.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.171 -0.956 . . . . 1.41 109.374 179.394 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.734 HG22 ' HB3' ' A' ' 8' ' ' ALA . 24.8 t -74.33 -31.1 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.399 -0.813 . . . . 1.36 109.595 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.86 -21.23 21.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.443 -0.786 . . . . 2.49 110.063 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t -93.31 -6.46 47.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 1.52 110.208 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 81' ' ' MET . 2.3 mtt -104.58 -64.21 1.14 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 0.0 110.18 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -129.66 -173.83 3.13 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.171 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 86' ' ' LYS . 15.2 t70 59.12 113.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.396 -0.815 . . . . 0.0 110.285 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 89' ' ' SER . 0.3 OUTLIER 49.61 65.22 1.47 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.402 -0.811 . . . . 0.0 110.366 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 28.3 t -177.57 -52.86 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.245 -0.91 . . . . 0.0 110.402 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 174.43 0.15 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.148 -0.97 . . . . 7.32 110.273 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.28 166.11 11.71 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.627 -1.389 . . . . 2.96 109.627 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 96' ' ' GLU . 3.2 tttm -179.27 101.19 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.317 -1.107 . . . . 3.39 109.913 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.0 m -146.98 -124.17 0.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.303 -0.873 . . . . 2.53 109.866 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -23.75 63.09 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.919 -1.113 . . . . 2.83 110.191 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -78.54 -40.43 34.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.113 -0.992 . . . . 2.72 110.184 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -61.85 -27.59 68.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.343 -0.848 . . . . 2.61 110.348 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.9 mt -74.52 -42.51 58.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.261 -0.9 . . . . 1.71 110.241 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.424 ' CB ' ' CE1' ' A' ' 150' ' ' TYR . 3.3 p -66.5 -49.68 65.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.41 110.32 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 103' ' ' MET . 44.7 m-20 -56.9 -46.94 81.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 2.18 110.294 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 100' ' ' LEU . 15.6 mt -55.5 -33.37 63.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 1.57 110.36 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 9.3 t80 -68.29 -56.66 7.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 1.31 110.427 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -69.91 -10.94 60.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.241 -0.912 . . . . 3.68 110.467 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -96.44 -12.79 23.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.182 -0.949 . . . . 1.92 110.259 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 120' ' ' MET . 5.8 m-85 -113.89 -10.93 12.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -0.908 . . . . 2.03 110.457 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.53 ' HA ' HD13 ' A' ' 112' ' ' ILE . 48.9 t0 -56.43 88.5 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.103 -0.998 . . . . 0.6 110.316 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.471 ' HG3' HD12 ' A' ' 119' ' ' ILE . 2.1 mmpt? -62.28 -43.05 99.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.24 -0.912 . . . . 2.79 110.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.449 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 2.7 t-20 -73.88 -15.75 61.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 1.67 109.626 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.93 65.05 1.17 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 0.78 110.394 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' CG ' ' OD1' ' A' ' 107' ' ' ASN . 7.8 p-10 -134.49 11.94 3.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 1.2 110.189 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.518 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 98.9 -27.07 21.61 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.499 -1.44 . . . . 0.62 109.499 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 111' ' ' TYR . 11.5 m-85 -130.02 174.24 9.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.386 -1.067 . . . . 1.46 109.864 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 105' ' ' ASP . 1.4 mt -135.0 138.61 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.113 -0.992 . . . . 0.46 110.672 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.451 ' OD1' ' HG3' ' A' ' 116' ' ' GLU . 5.0 p30 -104.1 -172.98 2.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.45 -0.781 . . . . 1.58 109.968 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.43 -42.08 92.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.098 -1.001 . . . . 1.57 110.683 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.94 -27.32 63.28 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.208 -0.932 . . . . 2.67 110.513 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.47 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 48.6 mt-10 -86.47 -44.68 11.79 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.211 -0.931 . . . . 1.43 110.514 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.7 tp -58.15 -34.57 70.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.168 -0.957 . . . . 1.53 109.966 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.592 ' HG2' HG21 ' A' ' 133' ' ' ILE . 31.0 mttt -59.2 -31.7 69.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.322 -0.861 . . . . 1.82 110.064 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.471 HD12 ' HG3' ' A' ' 106' ' ' LYS . 30.0 mt -79.08 -37.33 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.352 -0.842 . . . . 1.08 110.153 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.563 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 4.3 ttt -58.57 -39.31 79.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.329 -0.857 . . . . 2.73 110.129 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 125' ' ' GLY . 55.1 mt -74.13 -30.81 62.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 1.81 109.806 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -27.76 68.23 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.616 -0.833 . . . . 2.24 109.232 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.81 -14.01 60.29 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.912 -0.715 . . . . 1.55 109.272 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.7 p -140.73 21.42 2.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 2.26 110.487 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -151.55 172.66 31.0 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.765 -1.334 . . . . 2.16 109.765 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.95 -154.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.38 -1.071 . . . . 5.02 110.071 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.6 p -100.09 91.61 4.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.21 -0.932 . . . . 3.72 110.245 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 129' ' ' THR . 8.7 mm -89.67 167.41 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.913 . . . . 2.58 110.093 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.476 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 17.5 p -101.01 162.29 12.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.23 -0.919 . . . . 1.63 110.146 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 134' ' ' GLU . 1.4 pt-20 -57.97 -18.49 23.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.283 -0.886 . . . . 2.77 110.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.2 -45.86 83.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.892 . . . . 2.28 110.315 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.437 ' HB2' HG23 ' A' ' 128' ' ' ILE . 17.1 m-20 -75.81 -41.31 53.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.871 . . . . 1.95 110.299 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.592 HG21 ' HG2' ' A' ' 118' ' ' LYS . 59.0 mt -76.47 -1.96 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.349 -0.845 . . . . 1.14 110.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -76.88 -38.62 53.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.182 -0.949 . . . . 2.27 110.137 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.58 -21.25 38.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.335 -0.853 . . . . 2.16 110.154 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.34 -45.2 81.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 1.63 110.139 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.1 tpp -71.5 -31.94 67.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.266 -0.896 . . . . 1.35 110.093 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -62.96 -56.55 16.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.319 -0.863 . . . . 3.36 110.246 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.448 ' CG ' HG12 ' A' ' 160' ' ' VAL . 55.3 t0 -73.07 -20.06 61.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.893 . . . . 2.33 110.239 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.423 ' HA3' ' CG ' ' A' ' 156' ' ' PHE . . . -78.64 -12.19 84.49 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.46 -1.456 . . . . 0.86 109.46 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.07 113.39 23.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.254 -1.145 . . . . 0.92 110.238 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -66.97 -19.53 65.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.167 -0.958 . . . . 1.99 110.208 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 145' ' ' ASP . 24.4 p-10 -132.48 7.22 4.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.191 -0.943 . . . . 1.56 110.162 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 47.97 72.18 0.29 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.291 -0.881 . . . . 2.28 110.434 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.491 ' HB3' ' ND2' ' A' ' 143' ' ' ASN . 13.1 p-10 -123.45 -17.66 6.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.223 -0.923 . . . . 1.85 110.261 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.7 -43.52 1.66 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.6 -1.4 . . . . 0.7 109.6 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.475 ' HB3' ' HB3' ' A' ' 111' ' ' TYR . 10.2 mtm-85 -99.24 152.59 19.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -1.153 . . . . 2.32 110.327 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.5 mt -125.1 125.4 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.388 -0.82 . . . . 0.43 109.576 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.585 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.4 p-10 -101.63 -170.72 1.87 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 2.16 110.403 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.842 ' O ' HD23 ' A' ' 154' ' ' LEU . 15.4 t80 -65.92 -24.1 66.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 2.63 110.68 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 8.1 m-20 -78.64 -62.2 1.77 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.188 -0.945 . . . . 2.08 110.329 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -57.45 -39.04 75.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.196 -0.94 . . . . 1.39 110.423 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 153' ' ' PHE . 13.6 t80 -59.93 -35.76 75.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 1.55 110.336 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 150' ' ' TYR . 0.4 OUTLIER -52.56 -45.07 66.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 1.74 110.245 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -76.19 -48.6 19.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 2.47 110.265 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 156' ' ' PHE . 2.1 t80 -44.52 -34.14 1.99 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 1.77 110.472 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 33.7 tpp -92.28 -31.86 15.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.179 -0.951 . . . . 1.48 110.581 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -30.28 70.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.116 -0.99 . . . . 2.07 110.527 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.514 ' C ' HG22 ' A' ' 160' ' ' VAL . . . 179.78 143.32 5.46 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.681 -1.368 . . . . 1.38 109.681 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.514 HG22 ' C ' ' A' ' 159' ' ' GLY . 0.0 OUTLIER -158.08 -54.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.188 -1.183 . . . . 2.37 109.837 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.92 -1.038 . . . . 5.03 110.266 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.156 0.503 . . . . 5.75 110.264 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.66 155.57 21.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.335 -0.853 . . . . 4.6 110.149 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.3 mt -113.96 -58.48 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 2.8 110.163 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.733 ' HA ' HG11 ' A' ' 82' ' ' VAL . 28.4 m-85 -83.23 -50.41 8.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.325 -0.859 . . . . 2.2 110.163 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -46.45 -36.72 6.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 3.24 110.19 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.504 ' HA ' ' OE2' ' A' ' 10' ' ' GLU . . . -62.76 -32.83 74.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.226 -0.921 . . . . 1.36 110.19 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.734 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -81.81 -34.18 30.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 1.01 110.443 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.665 HG23 ' CG2' ' A' ' 82' ' ' VAL . 82.5 t -79.16 -34.89 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 1.05 110.734 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' OE2' ' HA ' ' A' ' 7' ' ' ALA . 15.6 pt-20 -56.61 -16.54 6.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.095 -1.003 . . . . 2.61 110.231 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 20.5 mt-30 -97.84 -12.16 22.46 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 2.96 110.185 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.644 HD12 HG13 ' A' ' 9' ' ' VAL . 8.2 mt -43.55 165.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.203 -0.935 . . . . 1.68 110.192 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 2.5 p -99.16 148.49 24.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 1.89 110.109 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.21 -37.82 3.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.219 -0.926 . . . . 3.31 110.275 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 19' ' ' GLU . 23.0 mt-10 -65.92 -18.54 65.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.159 -0.963 . . . . 2.9 110.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.56 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 3.9 mm-40 -86.09 -53.15 5.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.233 -0.917 . . . . 2.61 110.215 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 15.1 mmtp -57.74 -49.31 76.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.214 -0.929 . . . . 2.06 110.287 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -57.69 -46.51 84.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.895 . . . . 2.15 110.219 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.05 -38.71 86.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.163 -0.961 . . . . 2.53 110.134 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD2' ' O ' ' A' ' 16' ' ' GLN . 17.6 m-85 -74.01 -64.11 1.08 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.303 -0.873 . . . . 3.69 110.149 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -48.45 -32.95 8.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.172 -0.955 . . . . 2.88 110.002 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -76.22 -53.52 8.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -0.867 . . . . 0.76 110.072 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.644 ' HB1' ' HE2' ' A' ' 27' ' ' PHE . . . -48.05 -51.84 22.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.213 -0.93 . . . . 0.64 109.983 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 28' ' ' VAL . 3.8 t80 -51.41 -49.67 61.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 1.72 109.848 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.427 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -64.61 -13.71 54.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.329 -0.857 . . . . 1.55 109.902 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 23' ' ' ALA . 35.5 mt -101.16 -21.98 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.369 -0.832 . . . . 0.94 110.108 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.978 ' CD2' HG22 ' A' ' 44' ' ' VAL . 52.0 m-85 -99.36 -20.7 16.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.277 -0.889 . . . . 3.21 110.183 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.664 HG21 ' CZ ' ' A' ' 24' ' ' PHE . 1.4 t -76.33 -11.53 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.318 -0.863 . . . . 1.47 109.765 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 25' ' ' ASP . 3.3 mm? -50.79 -30.33 13.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.319 -0.863 . . . . 2.45 109.839 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.74 4.68 59.61 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 109.257 -1.537 . . . . 1.89 109.257 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.51 -160.07 0.17 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -1.1 . . . . 1.41 110.145 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -146.3 -38.25 0.23 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 3.29 110.128 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.8 11.23 36.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 4.12 110.171 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.66 40.45 12.5 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.684 -1.367 . . . . 1.4 109.684 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.21 173.75 14.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.256 -1.144 . . . . 1.04 109.859 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.004 HG22 ' HB3' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -132.98 102.7 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.088 -1.008 . . . . 1.36 110.496 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' A' ' 71' ' ' THR . 42.0 p -79.53 177.84 8.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 1.52 109.909 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.2 OUTLIER -43.4 -25.88 0.17 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 1.55 110.229 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 37' ' ' SER . 9.6 tptt -77.5 -33.9 54.26 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 2.8 110.189 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 1.004 ' HB3' HG22 ' A' ' 36' ' ' ILE . 17.3 mm-40 -97.35 -34.26 11.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.929 . . . . 2.32 110.1 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.801 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -73.73 -11.25 60.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 1.94 110.253 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.86 -33.57 80.21 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.589 -1.404 . . . . 0.91 109.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -81.06 -17.2 50.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -1.156 . . . . 2.98 110.23 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.978 HG22 ' CD2' ' A' ' 27' ' ' PHE . 39.5 t -85.48 -27.14 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.271 -0.893 . . . . 1.8 110.342 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.2 mtt -74.85 -50.5 16.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.149 -0.969 . . . . 3.35 110.331 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -27.88 69.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.259 -0.901 . . . . 3.64 110.493 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.491 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.11 -34.18 38.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.174 -0.954 . . . . 2.01 110.247 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD13 ' HE1' ' A' ' 20' ' ' PHE . 61.4 mt -76.97 -82.31 0.08 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 2.15 110.267 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -174.64 54.77 0.13 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.568 -1.413 . . . . 1.87 109.568 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 19.8 mt-30 -141.11 148.31 39.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -1.153 . . . . 1.89 110.177 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.523 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 0.9 OUTLIER -127.57 50.43 5.38 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.216 -0.928 . . . . 3.29 110.264 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 51' ' ' ASN . 45.8 Cg_endo -72.38 162.05 42.58 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.021 1.538 . . . . 2.97 110.512 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.531 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -102.64 170.51 6.23 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.193 -0.942 . . . . 1.42 110.11 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.94 -36.41 4.5 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.047 1.551 . . . . 1.19 110.43 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.97 -43.6 74.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 3.14 110.164 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -76.83 -35.21 57.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 2.5 110.159 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -45.02 -64.42 0.71 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.251 -0.906 . . . . 1.3 110.134 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -47.15 -37.94 10.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.198 -0.939 . . . . 1.97 110.178 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 1.6 tt0 -69.09 -41.84 76.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.266 -0.896 . . . . 2.77 110.18 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -51.98 60.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 2.02 110.253 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.792 HG21 ' HA2' ' A' ' 70' ' ' GLY . 1.2 mp -66.83 -58.93 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.159 -0.963 . . . . 1.4 110.025 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 4.8 t0 -42.56 -26.59 0.12 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.222 -0.924 . . . . 2.13 110.373 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -85.33 -47.98 9.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.26 -0.9 . . . . 2.93 110.367 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 61' ' ' ILE . 11.6 m -82.55 -24.44 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.117 -0.99 . . . . 1.69 110.247 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 15.5 t0 -65.73 129.97 41.64 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.295 -0.878 . . . . 2.61 110.231 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -73.49 -7.79 53.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 6.67 110.185 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 69' ' ' SER . 8.3 p-10 -125.1 -9.38 7.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.286 -0.884 . . . . 3.83 110.27 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 62' ' ' ASP . . . 59.78 71.1 0.83 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.496 -1.442 . . . . 3.17 109.496 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.448 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 8.8 p -126.44 -27.43 3.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.197 -1.178 . . . . 2.71 110.442 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.792 ' HA2' HG21 ' A' ' 61' ' ' ILE . . . 103.46 -4.92 47.85 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.566 -1.414 . . . . 1.59 109.566 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 66.3 p -90.59 155.87 18.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -1.17 . . . . 1.45 110.41 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' A' ' 76' ' ' GLU . 48.0 t -148.92 123.88 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.303 -0.873 . . . . 1.13 110.122 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -107.56 -164.27 0.96 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.215 -0.928 . . . . 2.57 110.315 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 78' ' ' LEU . 8.1 t80 -50.66 -28.18 8.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.305 -0.872 . . . . 3.18 110.216 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.554 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.4 t70 -84.94 -65.9 0.96 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -0.917 . . . . 1.57 110.159 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.672 ' HB2' HG13 ' A' ' 72' ' ' VAL . 12.4 mt-10 -46.98 -29.91 2.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.22 -0.925 . . . . 1.94 110.163 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.689 ' CD1' HD21 ' A' ' 41' ' ' LEU . 15.1 t80 -64.93 -64.09 0.95 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.953 . . . . 2.03 109.981 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 74' ' ' PHE . 17.2 mt -54.63 -18.81 4.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.163 -0.961 . . . . 1.55 109.845 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.574 HG13 ' CG ' ' A' ' 5' ' ' TYR . 97.4 t -84.51 -22.14 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.373 -0.83 . . . . 0.73 110.007 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.416 ' CE ' HD12 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -75.83 -9.29 58.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 2.77 110.269 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -103.7 -15.8 15.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.171 -0.956 . . . . 1.41 109.374 179.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.734 HG22 ' HB3' ' A' ' 8' ' ' ALA . 24.8 t -74.33 -31.1 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.399 -0.813 . . . . 1.36 109.595 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.86 -21.23 21.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.443 -0.786 . . . . 2.49 110.063 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t -93.31 -6.46 47.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 1.52 110.208 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 81' ' ' MET . 2.3 mtt -104.58 -64.21 1.14 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 0.0 110.18 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -129.66 -173.83 3.13 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.171 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 86' ' ' LYS . 15.2 t70 59.12 113.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.396 -0.815 . . . . 0.0 110.285 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 89' ' ' SER . 0.3 OUTLIER 49.61 65.22 1.47 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.402 -0.811 . . . . 0.0 110.366 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 28.3 t -177.57 -52.86 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.245 -0.91 . . . . 0.0 110.402 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 174.43 0.15 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.148 -0.97 . . . . 7.32 110.273 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.28 166.11 11.71 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.627 -1.389 . . . . 2.96 109.627 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 96' ' ' GLU . 3.2 tttm -179.27 101.19 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.317 -1.107 . . . . 3.39 109.913 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.0 m -146.98 -124.17 0.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.303 -0.873 . . . . 2.53 109.866 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -23.75 63.09 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.919 -1.113 . . . . 2.83 110.191 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -78.54 -40.43 34.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.113 -0.992 . . . . 2.72 110.184 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -61.85 -27.59 68.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.343 -0.848 . . . . 2.61 110.348 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.9 mt -74.52 -42.51 58.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.261 -0.9 . . . . 1.71 110.241 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.424 ' CB ' ' CE1' ' A' ' 150' ' ' TYR . 3.3 p -66.5 -49.68 65.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.41 110.32 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 103' ' ' MET . 44.7 m-20 -56.9 -46.94 81.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 2.18 110.294 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 100' ' ' LEU . 15.6 mt -55.5 -33.37 63.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 1.57 110.36 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 9.3 t80 -68.29 -56.66 7.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 1.31 110.427 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -69.91 -10.94 60.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.241 -0.912 . . . . 3.68 110.467 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -96.44 -12.79 23.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.182 -0.949 . . . . 1.92 110.259 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 120' ' ' MET . 5.8 m-85 -113.89 -10.93 12.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -0.908 . . . . 2.03 110.457 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.53 ' HA ' HD13 ' A' ' 112' ' ' ILE . 48.9 t0 -56.43 88.5 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.103 -0.998 . . . . 0.6 110.316 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.471 ' HG3' HD12 ' A' ' 119' ' ' ILE . 2.1 mmpt? -62.28 -43.05 99.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.24 -0.912 . . . . 2.79 110.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.449 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 2.7 t-20 -73.88 -15.75 61.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 1.67 109.626 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.93 65.05 1.17 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 0.78 110.394 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' CG ' ' OD1' ' A' ' 107' ' ' ASN . 7.8 p-10 -134.49 11.94 3.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 1.2 110.189 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.518 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 98.9 -27.07 21.61 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.499 -1.44 . . . . 0.62 109.499 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 111' ' ' TYR . 11.5 m-85 -130.02 174.24 9.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.386 -1.067 . . . . 1.46 109.864 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 105' ' ' ASP . 1.4 mt -135.0 138.61 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.113 -0.992 . . . . 0.46 110.672 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.451 ' OD1' ' HG3' ' A' ' 116' ' ' GLU . 5.0 p30 -104.1 -172.98 2.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.45 -0.781 . . . . 1.58 109.968 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.43 -42.08 92.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.098 -1.001 . . . . 1.57 110.683 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.94 -27.32 63.28 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.208 -0.932 . . . . 2.67 110.513 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.47 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 48.6 mt-10 -86.47 -44.68 11.79 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.211 -0.931 . . . . 1.43 110.514 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.7 tp -58.15 -34.57 70.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.168 -0.957 . . . . 1.53 109.966 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.592 ' HG2' HG21 ' A' ' 133' ' ' ILE . 31.0 mttt -59.2 -31.7 69.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.322 -0.861 . . . . 1.82 110.064 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.471 HD12 ' HG3' ' A' ' 106' ' ' LYS . 30.0 mt -79.08 -37.33 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.352 -0.842 . . . . 1.08 110.153 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.563 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 4.3 ttt -58.57 -39.31 79.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.329 -0.857 . . . . 2.73 110.129 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 125' ' ' GLY . 55.1 mt -74.13 -30.81 62.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 1.81 109.806 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -27.76 68.23 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.616 -0.833 . . . . 2.24 109.232 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.81 -14.01 60.29 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.912 -0.715 . . . . 1.55 109.272 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.7 p -140.73 21.42 2.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 2.26 110.487 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -151.55 172.66 31.0 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.765 -1.334 . . . . 2.16 109.765 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.95 -154.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.38 -1.071 . . . . 5.02 110.071 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.6 p -100.09 91.61 4.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.21 -0.932 . . . . 3.72 110.245 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 129' ' ' THR . 8.7 mm -89.67 167.41 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.913 . . . . 2.58 110.093 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.476 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 17.5 p -101.01 162.29 12.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.23 -0.919 . . . . 1.63 110.146 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 134' ' ' GLU . 1.4 pt-20 -57.97 -18.49 23.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.283 -0.886 . . . . 2.77 110.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.2 -45.86 83.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.892 . . . . 2.28 110.315 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.437 ' HB2' HG23 ' A' ' 128' ' ' ILE . 17.1 m-20 -75.81 -41.31 53.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.871 . . . . 1.95 110.299 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.592 HG21 ' HG2' ' A' ' 118' ' ' LYS . 59.0 mt -76.47 -1.96 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.349 -0.845 . . . . 1.14 110.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -76.88 -38.62 53.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.182 -0.949 . . . . 2.27 110.137 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.58 -21.25 38.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.335 -0.853 . . . . 2.16 110.154 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.34 -45.2 81.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 1.63 110.139 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.1 tpp -71.5 -31.94 67.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.266 -0.896 . . . . 1.35 110.093 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -62.96 -56.55 16.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.319 -0.863 . . . . 3.36 110.246 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.448 ' CG ' HG12 ' A' ' 160' ' ' VAL . 55.3 t0 -73.07 -20.06 61.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.893 . . . . 2.33 110.239 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.423 ' HA3' ' CG ' ' A' ' 156' ' ' PHE . . . -78.64 -12.19 84.49 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.46 -1.456 . . . . 0.86 109.46 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.07 113.39 23.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.254 -1.145 . . . . 0.92 110.238 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -66.97 -19.53 65.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.167 -0.958 . . . . 1.99 110.208 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 145' ' ' ASP . 24.4 p-10 -132.48 7.22 4.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.191 -0.943 . . . . 1.56 110.162 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 47.97 72.18 0.29 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.291 -0.881 . . . . 2.28 110.434 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.491 ' HB3' ' ND2' ' A' ' 143' ' ' ASN . 13.1 p-10 -123.45 -17.66 6.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.223 -0.923 . . . . 1.85 110.261 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.7 -43.52 1.66 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.6 -1.4 . . . . 0.7 109.6 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.475 ' HB3' ' HB3' ' A' ' 111' ' ' TYR . 10.2 mtm-85 -99.24 152.59 19.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -1.153 . . . . 2.32 110.327 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.5 mt -125.1 125.4 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.388 -0.82 . . . . 0.43 109.576 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.585 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.4 p-10 -101.63 -170.72 1.87 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 2.16 110.403 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.842 ' O ' HD23 ' A' ' 154' ' ' LEU . 15.4 t80 -65.92 -24.1 66.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 2.63 110.68 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 8.1 m-20 -78.64 -62.2 1.77 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.188 -0.945 . . . . 2.08 110.329 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -57.45 -39.04 75.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.196 -0.94 . . . . 1.39 110.423 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 153' ' ' PHE . 13.6 t80 -59.93 -35.76 75.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 1.55 110.336 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 150' ' ' TYR . 0.4 OUTLIER -52.56 -45.07 66.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 1.74 110.245 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -76.19 -48.6 19.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 2.47 110.265 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 156' ' ' PHE . 2.1 t80 -44.52 -34.14 1.99 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 1.77 110.472 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 33.7 tpp -92.28 -31.86 15.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.179 -0.951 . . . . 1.48 110.581 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -30.28 70.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.116 -0.99 . . . . 2.07 110.527 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.514 ' C ' HG22 ' A' ' 160' ' ' VAL . . . 179.78 143.32 5.46 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.681 -1.368 . . . . 1.38 109.681 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.514 HG22 ' C ' ' A' ' 159' ' ' GLY . 0.0 OUTLIER -158.08 -54.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.188 -1.183 . . . . 2.37 109.837 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.92 -1.038 . . . . 5.03 110.266 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_